130
conf 0  E=-192.86493256 Eh  dE=0.000 kcal/mol  pop=1.27%
Ir 0.20287998 -0.27828638 0.03154502
C -0.88206965 0.90528954 1.38381122
C -0.28252500 1.39812952 2.56844811
C -2.20435224 1.36679928 1.22460666
C -0.90852993 2.23915725 3.46340199
H 0.71060230 1.05439510 2.82526420
C -2.84969657 2.24986345 2.10225089
C -2.19710505 2.70247681 3.22359102
H -0.39497347 2.54191026 4.36683482
H -2.68348797 3.37691684 3.91413808
C -1.45960813 -1.31332930 -0.68926717
C -2.80786910 -0.91134658 -0.67782476
C -1.28135662 -2.58657964 -1.26399538
C -3.86832042 -1.69091035 -1.16023729
C -2.29785217 -3.36796828 -1.76553896
H -0.26940078 -2.97204271 -1.33566879
C -3.61599747 -2.92617823 -1.70864435
H -2.07426915 -4.33227334 -2.20423969
H -4.42273139 -3.53770507 -2.08772050
C 0.25090733 -1.87452167 1.46078802
C -0.52250433 -1.79522608 2.64203486
C 0.94134369 -3.10039058 1.38196462
C -0.54768373 -2.75201154 3.63473290
H -1.14129530 -0.92415385 2.80015122
C 0.95110255 -4.08405180 2.38257299
C 0.21491247 -3.90805623 3.52871939
H -1.16247381 -2.59707741 4.51250035
H 0.22144305 -4.65085781 4.31416777
C 1.60018249 -1.13173180 -1.35444869
C 2.29907187 -2.35310017 -1.26477520
C 2.10880312 -0.32089242 -2.39675954
C 3.37430184 -2.72457653 -2.08693913
C 3.14597985 -0.66945638 -3.23429462
H 1.65946087 0.64681313 -2.56794524
C 3.80357542 -1.88365129 -3.08352569
H 3.46116900 0.01513421 -4.01211162
H 4.63145761 -2.15655258 -3.72306886
C -0.19539296 1.24870372 -1.35059433
C -0.90684394 0.98665269 -2.54581302
C 0.13558127 2.61174687 -1.21321222
C -1.25353740 1.95090560 -3.46805849
H -1.15247070 -0.03909708 -2.78640296
C -0.23550314 3.61487999 -2.11937109
C -0.94851423 3.28911765 -3.24830392
H -1.76698781 1.66596013 -4.37737693
H -1.23667706 4.04966788 -3.96028757
C 1.98255862 0.55928689 0.76517262
C 2.36074600 1.91343199 0.73490042
C 2.96578492 -0.26234774 1.35434579
C 3.58070741 2.40616033 1.21987126
C 4.16389191 0.19497247 1.85711779
H 2.76252873 -1.32438774 1.43578799
C 4.48915607 1.54546143 1.78805913
H 4.86200480 -0.49795977 2.31084495
H 5.43245241 1.91012373 2.16987861
H -3.87360896 2.55445337 1.90937158
H -4.88774294 -1.32553204 -1.09139101
H 1.54621194 -4.98188301 2.25218120
H 3.88676883 -3.66644382 -1.92026282
H 0.06235323 4.64359288 -1.94269081
H 3.81384132 3.46260100 1.13671908
P -3.27767512 0.68979040 -0.03862433
P 1.27386209 3.16116938 0.05596867
P 1.85732516 -3.61013482 -0.07035674
C -3.68920919 1.88051393 -1.34867132
C -3.54201768 3.24204887 -1.11833695
C -4.21278295 1.43273171 -2.55699762
C -3.91641916 4.15150922 -2.09091735
H -3.13679755 3.57740841 -0.17485943
C -4.59320770 2.34668727 -3.52156230
H -4.30626805 0.37151417 -2.73852491
C -4.44653052 3.70540899 -3.28998572
H -3.79717624 5.21071988 -1.91340739
H -5.00219665 2.00012207 -4.45956112
H -4.74155236 4.41647597 -4.04762192
C -4.86469413 0.41553468 0.80448762
C -4.83895488 -0.49082539 1.86199535
C -6.05127700 1.04973990 0.46180902
C -5.99358096 -0.76004777 2.56939771
H -3.90423866 -0.97640257 2.11146443
C -7.20642147 0.77438432 1.17467706
H -6.07270001 1.75387506 -0.35912739
C -7.17916377 -0.12681359 2.22540829
H -5.97405928 -1.46291415 3.38904252
H -8.13063282 1.26612111 0.90777791
H -8.08310239 -0.33704916 2.77772704
C 0.48207734 4.18702587 1.33014846
C 1.13208578 4.42701903 2.53612385
C -0.74094299 4.79058119 1.06895472
C 0.56140366 5.27427458 3.46713705
H 2.07358050 3.93850456 2.74270572
C -1.31105984 5.63089169 2.00812430
H -1.23445750 4.59733951 0.12778894
C -0.65843730 5.87775964 3.20423011
H 1.06658035 5.46369011 4.40311621
H -2.26493134 6.09687619 1.80648810
H -1.10230757 6.53752213 3.93521854
C 2.38003006 4.32571334 -0.79673069
C 2.46374342 5.67980361 -0.50122610
C 3.16817415 3.78391703 -1.80957837
C 3.33552561 6.48523732 -1.21504899
H 1.85271334 6.10235730 0.28513268
C 4.03442699 4.59241276 -2.51823294
H 3.09240204 2.72534383 -2.02233111
C 4.11891509 5.94484909 -2.22058575
H 3.40297988 7.53836617 -0.98328302
H 4.64667810 4.17217295 -3.30236797
H 4.79743817 6.57774610 -2.77322611
C 3.40146311 -4.40501517 0.47965323
C 4.49521216 -3.60115629 0.78874039
C 3.49469123 -5.78365785 0.64139475
C 5.66375428 -4.17089526 1.25769175
H 4.42698861 -2.53270110 0.64246522
C 4.66742303 -6.34845698 1.11096002
H 2.65268121 -6.41610983 0.39255968
C 5.75117865 -5.54445045 1.42256342
H 6.51061900 -3.54314570 1.49352739
H 4.73455436 -7.41989967 1.23300264
H 6.66470224 -5.98877799 1.78923668
C 0.96227073 -4.99712880 -0.85924473
C -0.14495563 -5.57657349 -0.24812038
C 1.39477202 -5.47570793 -2.09254145
C -0.79291304 -6.63809462 -0.85351958
H -0.50407852 -5.18609175 0.69300340
C 0.74013760 -6.53439555 -2.69475267
H 2.23632621 -5.01144229 -2.58561320
C -0.34994120 -7.12253790 -2.07355173
H -1.65129080 -7.08441873 -0.37288506
H 1.08024640 -6.90067730 -3.65248474
H -0.85869232 -7.95073571 -2.54473610
130
conf 1  E=-192.86493165 Eh  dE=0.001 kcal/mol  pop=1.27%
Ir 0.17028078 0.36642387 0.08906864
C -1.45581318 1.50721030 0.76558508
C -1.23633286 2.73158333 1.43016903
C -2.82284402 1.20963459 0.62258368
C -2.23748520 3.55465731 1.89660565
H -0.21165085 3.04147864 1.60398430
C -3.86400360 2.03569845 1.06973030
C -3.57375760 3.21558236 1.71199509
H -1.98843082 4.47425072 2.41215710
H -4.36481631 3.86280581 2.06400648
C -0.88957328 -0.64251021 -1.41470752
C -2.25278381 -0.99853649 -1.38536741
C -0.24112870 -1.09736721 -2.58784475
C -2.89631954 -1.76189646 -2.36946477
C -0.86053407 -1.82122233 -3.58421831
H 0.79237861 -0.82035550 -2.74691764
C -2.19529184 -2.19232933 -3.47040105
H -0.30505162 -2.10321698 -4.46943366
H -2.67796815 -2.77673003 -4.24105170
C -0.45068376 -1.20225825 1.33830126
C -1.24879120 -0.95381481 2.48155958
C -0.21823678 -2.57808799 1.14016158
C -1.75268046 -1.93765397 3.30508732
H -1.43437293 0.07276763 2.76781903
C -0.74852245 -3.59821112 1.94309777
C -1.53289819 -3.28166043 3.02596397
H -2.32364848 -1.66410469 4.18299373
H -1.94230746 -4.05580614 3.65952439
C 1.91393868 -0.57936979 -0.55882861
C 2.20026655 -1.95662797 -0.57737042
C 2.98389767 0.20095604 -1.03863221
C 3.41939837 -2.50419196 -1.00041988
C 4.18451409 -0.30683330 -1.48151091
H 2.84639687 1.27675786 -1.08279839
C 4.41932235 -1.67801873 -1.45623983
H 4.95308364 0.36127850 -1.84926958
H 5.36391980 -2.08505604 -1.78873722
C 0.35006850 2.06421700 -1.20910959
C -0.53435223 2.17842412 -2.30799268
C 1.07459608 3.25676938 -1.00497013
C -0.68162102 3.30352150 -3.08974105
H -1.14650871 1.32795402 -2.57192299
C 0.92831979 4.42473503 -1.76932865
C 0.04633876 4.45556218 -2.82089116
H -1.38183221 3.29543154 -3.91598988
H -0.07994327 5.35032685 -3.41445729
C 1.46329430 1.08792852 1.63781052
C 2.23300159 2.26796188 1.65759216
C 1.68904873 0.30747360 2.79551685
C 3.05422539 2.67531813 2.71997122
C 2.50194809 0.67254134 3.84775475
H 1.19148554 -0.64718827 2.88356952
C 3.18462638 1.88210930 3.83359721
H 2.60391873 0.01200253 4.69971437
H 3.80598487 2.18634983 4.66433053
H -4.89716326 1.75133472 0.89884845
H -3.95310471 -1.99064404 -2.27467556
H -0.51741129 -4.63600699 1.72444109
H 3.57806602 -3.57682510 -0.95794949
H 1.49163766 5.31636833 -1.51437829
H 3.58295913 3.62095231 2.66238947
P -3.36133647 -0.30507677 -0.16133047
P 2.32088272 3.39893149 0.27133615
P 0.97436422 -3.15195340 -0.06584003
C -4.84427612 0.15878045 -1.10569968
C -4.66837086 1.15987793 -2.05828845
C -6.09023312 -0.43135526 -0.94070987
C -5.73313479 1.56732825 -2.83705611
H -3.69071775 1.61093003 -2.16922277
C -7.15434760 -0.01783081 -1.72485682
H -6.22857183 -1.20886292 -0.20133628
C -6.97787857 0.97775075 -2.67068383
H -5.59718923 2.34461232 -3.57435611
H -8.12441048 -0.47563485 -1.59574356
H -7.81145830 1.29585057 -3.27923949
C -3.97792365 -1.54068616 1.02051138
C -3.90964796 -2.89133515 0.70492705
C -4.57911837 -1.13388554 2.20686619
C -4.44138859 -3.83065379 1.56983335
H -3.44123672 -3.19436314 -0.21997794
C -5.11501417 -2.07679238 3.06372768
H -4.61133387 -0.08318170 2.45738970
C -5.04858170 -3.42439940 2.74615285
H -4.38480822 -4.88173723 1.32548917
H -5.58379664 -1.76216292 3.98478710
H -5.46661145 -4.15837608 3.41934643
C 2.25053424 5.09972298 0.92076540
C 1.00637323 5.66613105 1.18383198
C 3.40636866 5.81989195 1.20489912
C 0.92238202 6.93385565 1.72762849
H 0.10995573 5.11314721 0.94287129
C 3.31604530 7.08872093 1.74964412
H 4.37729082 5.39226128 0.99205696
C 2.07631121 7.64610776 2.01448554
H -0.04557130 7.37006170 1.92655977
H 4.21716551 7.64367362 1.96690624
H 2.00959836 8.63662580 2.43971926
C 4.00720187 3.32100344 -0.43355779
C 5.00368775 2.55984126 0.16853925
C 4.29485058 4.03486117 -1.59313252
C 6.27718200 2.53580699 -0.37082405
H 4.77558171 1.97798324 1.04975112
C 5.56865634 4.00326678 -2.13001476
H 3.51876310 4.60690177 -2.08018501
C 6.56410425 3.26000867 -1.51633519
H 7.04678125 1.94385316 0.10278209
H 5.78546944 4.55937663 -3.03043536
H 7.55925151 3.23887683 -1.93579035
C 1.90633764 -4.45286951 0.79607989
C 2.62880665 -4.04121513 1.91367117
C 1.91414295 -5.78853499 0.41693292
C 3.35396497 -4.96114938 2.64446655
H 2.61155728 -2.99508654 2.19130701
C 2.64392476 -6.70627395 1.15401295
H 1.35333265 -6.10887855 -0.45090611
C 3.36124938 -6.29556819 2.26481396
H 3.91452370 -4.64261832 3.51082482
H 2.65113778 -7.74566183 0.85936651
H 3.92731024 -7.01606676 2.83648803
C 0.21485870 -4.02245784 -1.46886472
C -1.06774402 -4.54101312 -1.35036356
C 0.94012786 -4.22301879 -2.63848704
C -1.62264981 -5.25683317 -2.39591076
H -1.62013866 -4.38138382 -0.43592981
C 0.38383500 -4.94693174 -3.67608493
H 1.92955659 -3.79870515 -2.73295658
C -0.89627213 -5.46463523 -3.55623156
H -2.62266889 -5.65642360 -2.30479281
H 0.94669994 -5.10541600 -4.58454489
H -1.32881218 -6.02647157 -4.37105740
130
conf 2  E=-192.86492881 Eh  dE=0.002 kcal/mol  pop=1.26%
Ir 0.28868859 0.29317097 -0.03237682
C -1.21801476 1.53486675 0.70368141
C -0.86841512 2.75750469 1.30890125
C -2.60920847 1.32810055 0.67037629
C -1.77059927 3.66421957 1.81808304
H 0.18707746 2.99390713 1.39947789
C -3.55477191 2.23962753 1.16023209
C -3.13713650 3.41503777 1.73840731
H -1.41870851 4.57770451 2.28073926
H -3.85403197 4.12679964 2.12300594
C -0.93824555 -0.69671056 -1.41913037
C -2.31268608 -0.97427943 -1.27637105
C -0.40326513 -1.24354046 -2.61094196
C -3.06693957 -1.74211029 -2.17524925
C -1.13216340 -1.97270876 -3.52591901
H 0.62954293 -1.03478006 -2.85606524
C -2.47410707 -2.25861330 -3.30212660
H -0.65830177 -2.32551041 -4.43287808
H -3.04350811 -2.84574078 -4.00880120
C -0.32939529 -1.19571310 1.31042626
C -1.01243150 -0.86460230 2.50521186
C -0.18401500 -2.58778656 1.14602221
C -1.49568704 -1.79175943 3.40371006
H -1.12017697 0.17977448 2.76598258
C -0.69565648 -3.54990788 2.02794706
C -1.37033558 -3.15412960 3.15804550
H -1.97630726 -1.45859579 4.31458136
H -1.76513937 -3.88319953 3.85156543
C 1.93892206 -0.76640057 -0.78130855
C 2.12786950 -2.15991243 -0.78012437
C 3.02752973 -0.07486688 -1.35201273
C 3.27089260 -2.80466978 -1.27422550
C 4.15439240 -0.68114055 -1.86192577
H 2.97052852 1.00634440 -1.41239040
C 4.29153972 -2.06461006 -1.82141667
H 4.94305894 -0.08104381 -2.29928656
H 5.17808399 -2.54666671 -2.20902034
C 0.56385557 1.90455835 -1.41690695
C -0.21179221 1.96568492 -2.59782869
C 1.40976790 3.02560196 -1.30063160
C -0.11271720 2.95125318 -3.55710675
H -0.93717616 1.18715597 -2.78346911
C 1.54753308 4.03290834 -2.26764465
C 0.79307167 3.99458739 -3.41478342
H -0.74226623 2.90723712 -4.43700570
H 0.89523268 4.75728212 -4.17410800
C 1.78244439 0.90766223 1.37871924
C 2.65335537 2.01481172 1.31458082
C 2.16391286 0.00887430 2.40311426
C 3.77346441 2.20297331 2.13918228
C 3.24247118 0.18035177 3.24329552
H 1.57423563 -0.88334446 2.55702808
C 4.07500351 1.28465840 3.11406619
H 3.45205669 -0.55983270 4.00567156
H 4.93637316 1.41582486 3.75411235
H -4.61465358 2.02400621 1.07306879
H -4.12446095 -1.90630408 -1.99370921
H -0.53662372 -4.60556342 1.83167417
H 3.35654434 -3.88467858 -1.21402968
H 2.25583331 4.83966062 -2.11063883
H 4.42045088 3.06137969 1.99093450
P -3.29209316 -0.17808211 -0.00624312
P 2.39452440 3.35606235 0.15881511
P 0.87834768 -3.26160157 -0.12896301
C -4.81640136 0.33099575 -0.85562187
C -4.65736837 1.26514771 -1.87667627
C -6.07898220 -0.16292838 -0.55629775
C -5.75560070 1.70287628 -2.58967605
H -3.66472047 1.63873211 -2.09322374
C -7.17666819 0.28024354 -1.27530141
H -6.20355889 -0.88910879 0.23576943
C -7.01708795 1.20986962 -2.28884741
H -5.63289906 2.42811772 -3.38037035
H -8.15966201 -0.10274673 -1.04235215
H -7.87691709 1.55154599 -2.84591478
C -3.87922204 -1.32400416 1.27629630
C -3.91490291 -2.68888078 1.02276278
C -4.35500826 -0.82904288 2.48597186
C -4.42393602 -3.55485599 1.97364307
H -3.54488183 -3.06025503 0.07836308
C -4.87050271 -1.69849141 3.42860664
H -4.30609183 0.23184483 2.68583566
C -4.90660545 -3.06053699 3.17379824
H -4.44721807 -4.61733073 1.77811027
H -5.24287088 -1.31516259 4.36751516
H -5.30748585 -3.73709144 3.91422048
C 1.71615262 4.83390550 0.99771246
C 0.69801149 5.58499829 0.41949809
C 2.22758535 5.20954041 2.23635364
C 0.21829341 6.71160777 1.06286848
H 0.27492390 5.27734115 -0.52575996
C 1.74078710 6.33429697 2.87658039
H 2.99852567 4.61474967 2.70386097
C 0.74089250 7.09182653 2.28820881
H -0.57145176 7.29137705 0.60768553
H 2.14177829 6.62007408 3.83813631
H 0.36364197 7.97152697 2.78874563
C 4.03466432 3.93586914 -0.38225164
C 5.00223193 2.99208338 -0.71547601
C 4.32211152 5.29042043 -0.51537697
C 6.23809593 3.40030018 -1.18001887
H 4.78355935 1.94129181 -0.59098429
C 5.56133629 5.69316427 -0.98120685
H 3.57991662 6.03056113 -0.24665794
C 6.51888455 4.75072438 -1.31686915
H 6.98651364 2.66405846 -1.43414668
H 5.77950919 6.74652398 -1.08130283
H 7.48489276 5.06867702 -1.68037203
C 1.81292826 -4.57929455 0.70547030
C 2.66660337 -4.16462830 1.72526232
C 1.70899042 -5.92794740 0.39222242
C 3.41163268 -5.09411626 2.42321554
H 2.73737824 -3.10848788 1.95145121
C 2.45990019 -6.85523030 1.09552473
H 1.04651202 -6.25149917 -0.39947832
C 3.30872174 -6.44127774 2.10797826
H 4.07481900 -4.77267365 3.21259071
H 2.38154288 -7.90458250 0.85053770
H 3.89221904 -7.16906326 2.65229551
C -0.04107173 -4.14445091 -1.42450386
C -1.33958169 -4.57166017 -1.17941642
C 0.57477468 -4.45139283 -2.63323588
C -2.01894902 -5.30264846 -2.13702098
H -1.80593336 -4.32790206 -0.23625341
C -0.10604760 -5.18974334 -3.58291714
H 1.57760277 -4.09875394 -2.82770550
C -1.40145244 -5.61667833 -3.33630397
H -3.03123406 -5.63028962 -1.94796875
H 0.37231553 -5.43123176 -4.52108028
H -1.93124477 -6.19118458 -4.08187542
130
conf 3  E=-192.86492793 Eh  dE=0.003 kcal/mol  pop=1.26%
Ir -0.37718730 0.09430614 -0.05100920
C -1.63647405 1.10929030 1.35603544
C -1.03103149 1.84096555 2.40510092
C -3.02052285 1.36818027 1.27895562
C -1.69529557 2.69674332 3.25661009
H 0.03147910 1.73016016 2.56845070
C -3.71941806 2.24962825 2.11804067
C -3.05911789 2.92043250 3.11740499
H -1.14721518 3.21063119 4.03666309
H -3.58462218 3.60545905 3.76808177
C -1.90633217 -0.35342356 -1.48382256
C -3.29158653 -0.11288063 -1.39103573
C -1.58208776 -1.03229895 -2.68150590
C -4.22982966 -0.41615415 -2.38954926
C -2.48284645 -1.35816276 -3.67329957
H -0.55550126 -1.32024663 -2.85379975
C -3.82700602 -1.03049825 -3.54999528
H -2.13735767 -1.86924022 -4.56318855
H -4.53568440 -1.26055365 -4.33327560
C -0.81260739 -1.82719133 0.63948199
C -2.06376674 -2.07928834 1.23504028
C 0.00150662 -2.97347554 0.59264021
C -2.46575024 -3.30221154 1.72360370
H -2.75284293 -1.24748286 1.33707934
C -0.38546186 -4.23732181 1.05936174
C -1.62516868 -4.40678377 1.62915869
H -3.44090875 -3.40892360 2.18150414
H -1.93704024 -5.37417360 1.99695930
C 1.08808804 -0.51667543 -1.42644853
C 1.94538734 -1.62877253 -1.30655739
C 1.35632142 0.24168602 -2.59221624
C 2.97678672 -1.93889629 -2.20457675
C 2.34270527 -0.06166207 -3.50615361
H 0.71493258 1.08268602 -2.81955275
C 3.18933636 -1.14591946 -3.30649401
H 2.45964610 0.54722677 -4.39335696
H 3.97441948 -1.37651547 -4.01271575
C -0.16317707 2.06499981 -0.73917761
C -1.26182826 2.74439588 -1.30502873
C 0.99557576 2.86058475 -0.69127732
C -1.22083728 4.04113285 -1.76782444
H -2.19945695 2.20811153 -1.40084602
C 1.06330497 4.18825448 -1.13717246
C -0.04908005 4.78530143 -1.68046164
H -2.10476112 4.49020128 -2.20420712
H -0.01273546 5.80753803 -2.03011573
C 1.20219179 0.18005103 1.32730050
C 2.38925928 0.92793311 1.19399681
C 1.19167110 -0.60454391 2.50522592
C 3.46984728 0.86960822 2.08500798
C 2.22868581 -0.65407888 3.41221769
H 0.29797037 -1.16525950 2.74444980
C 3.40060509 0.06094974 3.19413366
H 2.13160351 -1.25358811 4.30823848
H 4.22336696 0.00782165 3.89317975
H -4.77899762 2.42422533 1.96246383
H -5.27427891 -0.16032005 -2.24491495
H 0.28778930 -5.08271307 0.96218250
H 3.58921148 -2.82054984 -2.04368811
H 1.98764920 4.74862781 -1.04265766
H 4.34978436 1.48116998 1.91236075
P -4.06907135 0.55541014 0.07737300
P 2.53271979 2.21526718 -0.04299568
P 1.65875590 -2.89214852 -0.07052677
C -5.33294190 1.75929300 -0.44419184
C -4.93470372 3.06024470 -0.73905727
C -6.66737602 1.39799535 -0.59825580
C -5.86027273 3.98460970 -1.18472735
H -3.90120947 3.34311837 -0.59961436
C -7.58981008 2.32819394 -1.04410538
H -6.98677880 0.39158451 -0.36187849
C -7.18848144 3.62009146 -1.34027058
H -5.54674891 4.99359274 -1.40919550
H -8.62538185 2.04280720 -1.15942634
H -7.91139315 4.34324546 -1.68787722
C -5.07604577 -0.76499403 0.84477365
C -5.22892671 -2.00138620 0.22593045
C -5.69070515 -0.53005340 2.07108320
C -6.00708494 -2.97979136 0.81759244
H -4.72677452 -2.19824730 -0.71008395
C -6.46382266 -1.51384431 2.65971355
H -5.55489463 0.41897389 2.56894685
C -6.62908280 -2.73784472 2.03156563
H -6.12188771 -3.93784268 0.33186514
H -6.93727822 -1.32622726 3.61241347
H -7.23365534 -3.50496046 2.49282125
C 3.28846411 3.61134583 0.84391949
C 2.52443323 4.16484335 1.86880661
C 4.55182275 4.11751491 0.56907121
C 3.02148144 5.21870348 2.60942534
H 1.54032496 3.75953027 2.06562383
C 5.04455302 5.17505918 1.31542965
H 5.14686196 3.68887549 -0.22620419
C 4.28318811 5.72484048 2.33273032
H 2.42830917 5.64910348 3.40262065
H 6.02678405 5.57038604 1.10049360
H 4.67260893 6.54962285 2.91106271
C 3.74887130 1.82977279 -1.33742724
C 4.70939568 0.85216938 -1.11371881
C 3.76401322 2.56103286 -2.52046330
C 5.68115956 0.60765879 -2.06710368
H 4.68711523 0.29219538 -0.19035012
C 4.74195134 2.31703703 -3.46621549
H 3.00223911 3.30655437 -2.69843827
C 5.70167844 1.34273573 -3.24049881
H 6.42623805 -0.15566710 -1.89442353
H 4.75590068 2.88566098 -4.38467173
H 6.46331306 1.15371580 -3.98267726
C 2.93649448 -2.93331432 1.22126060
C 4.18008789 -2.36275510 0.98263613
C 2.69335928 -3.59133893 2.42211847
C 5.17622149 -2.45259343 1.93793144
H 4.35760600 -1.85493928 0.04599403
C 3.69552049 -3.68519419 3.36943510
H 1.71707430 -4.01407749 2.61191040
C 4.93717707 -3.11843267 3.12843024
H 6.14237055 -2.00526807 1.75338573
H 3.50844586 -4.19877562 4.30128951
H 5.71722489 -3.19185192 3.87187554
C 1.88954811 -4.46189119 -0.95733745
C 0.99531649 -4.70323909 -1.99787957
C 2.88331752 -5.38649965 -0.66615839
C 1.09584101 -5.86304524 -2.73990380
H 0.22643543 -3.97029315 -2.20648592
C 2.97841074 -6.54843762 -1.41408660
H 3.57809623 -5.19991474 0.14179870
C 2.08893783 -6.78693926 -2.44794739
H 0.40248228 -6.05090595 -3.54624988
H 3.75061206 -7.26936546 -1.18784713
H 2.16857678 -7.69451985 -3.02788006
130
conf 4  E=-192.86492717 Eh  dE=0.003 kcal/mol  pop=1.26%
Ir 0.18298310 0.30519965 0.02762236
C -1.36475298 1.46321927 0.84624911
C -1.07530102 2.68580386 1.48679416
C -2.74136122 1.17609715 0.83221437
C -2.02188577 3.51476354 2.04739960
H -0.03693675 2.98949189 1.56167212
C -3.72967911 2.00837422 1.37701916
C -3.37179075 3.18459911 1.99130492
H -1.71851136 4.43198903 2.53741133
H -4.12145492 3.83573073 2.41861172
C -1.01806388 -0.69560835 -1.37222993
C -2.37797952 -1.03364473 -1.22224749
C -0.48152069 -1.16024617 -2.59695082
C -3.11638072 -1.78634664 -2.14612557
C -1.19639347 -1.87414777 -3.53498735
H 0.53801181 -0.89826160 -2.84648823
C -2.52145557 -2.22514307 -3.30475591
H -0.72438356 -2.16376223 -4.46504400
H -3.07887773 -2.80092521 -4.03014167
C -0.33991655 -1.25622946 1.32919901
C -1.03010164 -0.99996694 2.53890329
C -0.14488611 -2.63470352 1.10923104
C -1.47441765 -1.97907892 3.40151896
H -1.17470941 0.02827688 2.84241371
C -0.61656914 -3.64949855 1.95414020
C -1.29919221 -3.32514946 3.10182142
H -1.96251177 -1.69993800 4.32640867
H -1.66306874 -4.09548765 3.76701517
C 1.85306111 -0.66004651 -0.76799291
C 2.12027035 -2.04065537 -0.81321963
C 2.88827810 0.10901129 -1.33392064
C 3.29279107 -2.60105612 -1.33854720
C 4.04216755 -0.41111492 -1.87570507
H 2.75993918 1.18633628 -1.36417117
C 4.26140643 -1.78503950 -1.87370578
H 4.78567882 0.24940812 -2.30377765
H 5.17007675 -2.20227940 -2.28448463
C 0.26337981 1.99815436 -1.28728012
C -0.71146796 2.11741005 -2.30623337
C 1.01296645 3.18492160 -1.15066872
C -0.91652434 3.24208745 -3.07555917
H -1.35053953 1.27141657 -2.51463393
C 0.81091143 4.35253141 -1.90293546
C -0.15882265 4.38866314 -2.87402736
H -1.68533129 3.23778929 -3.83842267
H -0.32870826 5.28317757 -3.45701174
C 1.61348857 1.02020582 1.45406143
C 2.38858987 2.19615010 1.40532468
C 1.93041439 0.24247440 2.59179209
C 3.29373529 2.60473850 2.39647428
C 2.82672376 0.60861233 3.57371620
H 1.43865788 -0.71021397 2.72319935
C 3.50921586 1.81602997 3.50022784
H 2.99452456 -0.04907547 4.41738407
H 4.19486586 2.12230775 4.27790782
H -4.77637365 1.73166411 1.30364244
H -4.16399571 -2.00010447 -1.95906201
H -0.41984516 -4.68984146 1.71491828
H 3.44148944 -3.67561984 -1.31293609
H 1.40272787 5.23934510 -1.70096491
H 3.81903433 3.54845969 2.29293994
P -3.36515324 -0.32969237 0.09616309
P 2.36904778 3.31771263 0.00894070
P 0.92783144 -3.22142030 -0.19907241
C -4.91760750 0.15868628 -0.71465076
C -4.80939075 1.16386032 -1.67304309
C -6.15303463 -0.41586985 -0.44743725
C -5.93047059 1.59100959 -2.35625620
H -3.83840970 1.60238542 -1.86419032
C -7.27388127 0.01728600 -1.13626784
H -6.23892951 -1.19623163 0.29689169
C -7.16465921 1.01679291 -2.08805757
H -5.84668764 2.37146660 -3.09792697
H -8.23594409 -0.42807396 -0.92785398
H -8.04236921 1.35010319 -2.62182468
C -3.89177409 -1.56101113 1.32501342
C -3.87157028 -2.91109550 0.99988979
C -4.37606910 -1.15211957 2.56308873
C -4.33516764 -3.84761132 1.90602136
H -3.49341105 -3.21592230 0.03508175
C -4.84531379 -2.09201640 3.46135619
H -4.36976774 -0.10258477 2.82022390
C -4.82725603 -3.43884896 3.13415497
H -4.31507371 -4.89812119 1.65367563
H -5.22412058 -1.77593719 4.42247380
H -5.19282246 -4.17015573 3.84001595
C 2.37989359 5.02337536 0.64928041
C 3.56435282 5.73489703 0.81014863
C 1.17277632 5.60406499 1.02839824
C 3.53922926 7.00998090 1.34725676
H 4.50572234 5.29537675 0.50772200
C 1.15387678 6.87780548 1.56406317
H 0.25230748 5.05712236 0.88333016
C 2.33661904 7.58195778 1.72705071
H 4.46209060 7.55850595 1.46825270
H 0.21415710 7.32510424 1.85319730
H 2.32080476 8.57750232 2.14539071
C 3.98290987 3.21383051 -0.84652564
C 4.15782401 3.88457525 -2.05328683
C 5.03444125 2.47616844 -0.31250183
C 5.37621057 3.83459076 -2.70522686
H 3.33625424 4.43570776 -2.48704507
C 6.25207699 2.43350589 -0.96732546
H 4.89174110 1.92658620 0.60662896
C 6.42780176 3.11557739 -2.16028957
H 5.50529700 4.35692956 -3.64199180
H 7.06527494 1.85992886 -0.54689167
H 7.37956924 3.07953078 -2.66978417
C 1.91505794 -4.53833918 0.57263961
C 1.86526786 -5.87343325 0.19470443
C 2.74714171 -4.14009777 1.61644658
C 2.64769939 -6.80369348 0.85850158
H 1.21918922 -6.18402313 -0.61541020
C 3.52464625 -5.07233036 2.27413387
H 2.77277049 -3.09423693 1.89441366
C 3.47485449 -6.40604025 1.89511059
H 2.61013347 -7.84254349 0.56427411
H 4.17088661 -4.76398086 3.08252918
H 4.08241913 -7.13601701 2.40927434
C 0.03651247 -4.08125195 -1.52908554
C 0.65481753 -4.29465055 -2.75659544
C -1.23620290 -4.58539342 -1.29622807
C 0.00209215 -5.01650935 -3.73791748
H 1.63706891 -3.88271878 -2.93901298
C -1.88768352 -5.29997032 -2.28530646
H -1.70460465 -4.41481958 -0.33801407
C -1.26777455 -5.52046717 -3.50369696
H 0.48197523 -5.18520848 -4.69099751
H -2.87977362 -5.68840989 -2.10528200
H -1.77558745 -6.08174332 -4.27423738
130
conf 5  E=-192.86492687 Eh  dE=0.004 kcal/mol  pop=1.26%
Ir 0.14972379 -0.33792230 -0.04859752
C -0.80159803 0.82881781 1.41165724
C -0.13287278 1.20241340 2.60177673
C -2.09834260 1.37495406 1.33284236
C -0.67372474 2.02227975 3.56911147
H 0.84458538 0.78245755 2.79839041
C -2.65685424 2.23735396 2.28652018
C -1.93672340 2.57963542 3.40592070
H -0.11253682 2.23469290 4.47004877
H -2.35467892 3.23940024 4.15321832
C -1.59926535 -1.25565238 -0.75732941
C -2.91328473 -0.76269850 -0.66704751
C -1.53654026 -2.51255945 -1.39364927
C -4.04685720 -1.43916033 -1.13999392
C -2.62949741 -3.19204646 -1.88476112
H -0.56218262 -2.97018161 -1.52439398
C -3.90810101 -2.66010275 -1.75558912
H -2.49862760 -4.14826227 -2.37660056
H -4.77192266 -3.19263955 -2.12812075
C 0.06182087 -2.02467663 1.27345605
C -0.86613472 -2.00505712 2.34180182
C 0.63811209 -3.30187059 1.11541988
C -1.17574858 -3.08572602 3.13859749
H -1.37851430 -1.08060710 2.56683782
C 0.32669112 -4.42531833 1.89714459
C -0.58453611 -4.32339653 2.91884897
H -1.89733609 -2.97402180 3.93851075
H -0.83686394 -5.18139037 3.52634381
C 1.36470950 -1.25885033 -1.55546753
C 1.96628872 -2.53299300 -1.53773713
C 1.70875417 -0.54442798 -2.72657042
C 2.73071768 -3.07648882 -2.58161003
C 2.47156565 -1.04411861 -3.76078705
H 1.35080460 0.46810815 -2.84130054
C 2.97720517 -2.33690830 -3.71238451
H 2.67158900 -0.42506379 -4.62639930
H 3.55427104 -2.74533699 -4.53024958
C -0.21694856 1.28242411 -1.33273957
C -1.01281326 1.12825559 -2.49436997
C 0.19761097 2.61639807 -1.14541346
C -1.35456596 2.15850925 -3.34395314
H -1.33152176 0.13275745 -2.77294026
C -0.16421257 3.68632203 -1.97677432
C -0.95664560 3.46349246 -3.07695390
H -1.93605689 1.95196984 -4.23320889
H -1.23770328 4.27600375 -3.73202148
C 1.98780388 0.37402129 0.63823235
C 2.45698744 1.70023393 0.65374476
C 2.92915056 -0.53639063 1.15596296
C 3.72594690 2.08395825 1.10922021
C 4.17467717 -0.19018214 1.62964156
H 2.64579912 -1.58263320 1.20630693
C 4.59240539 1.13660339 1.60130231
H 4.83511860 -0.95168616 2.02482725
H 5.57317681 1.41739139 1.95870494
H -3.66613245 2.61387834 2.15325736
H -5.03360784 -1.00711514 -1.00940829
H 0.78621380 -5.38396051 1.67924733
H 3.12085854 -4.08543122 -2.49714716
H 0.20425103 4.68536315 -1.76586535
H 4.02848600 3.12506257 1.06342677
P -3.25623929 0.82478036 0.08211252
P 1.42090764 3.04238753 0.09066469
P 1.88886107 -3.62691130 -0.12182542
C -3.66614846 2.11659929 -1.12880936
C -3.41179684 3.44868410 -0.83003380
C -4.29731661 1.78053077 -2.32182109
C -3.78784316 4.44005875 -1.71827917
H -2.92207414 3.69636343 0.10022699
C -4.67810666 2.77617576 -3.20162826
H -4.47401845 0.74133329 -2.55953495
C -4.42582480 4.10556971 -2.90091585
H -3.58567225 5.47614758 -1.48723911
H -5.17090827 2.51641134 -4.12727599
H -4.72314928 4.88065708 -3.59195736
C -4.81484624 0.58120474 0.98655501
C -4.80701101 -0.42782466 1.94692294
C -5.96142508 1.33744128 0.78353249
C -5.94011182 -0.67891790 2.69469938
H -3.90504521 -1.00933556 2.08776409
C -7.09487852 1.08042765 1.53681486
H -5.96917397 2.12163509 0.03834080
C -7.08585842 0.07594929 2.48961508
H -5.93459996 -1.46293452 3.43735688
H -7.98803771 1.66713606 1.37773029
H -7.97315424 -0.12024007 3.07322236
C 0.74718709 4.03051376 1.45892470
C -0.44028451 4.73006820 1.28781562
C 1.45191924 4.13947801 2.65304550
C -0.91997772 5.53614266 2.30424507
H -0.97716006 4.63845067 0.35502672
C 0.97227876 4.95393541 3.66157989
H 2.36402783 3.57602514 2.78878179
C -0.21175168 5.65344641 3.48843175
H -1.84641327 6.07643537 2.17235569
H 1.52039573 5.04206629 4.58836443
H -0.58449665 6.28685896 4.27997163
C 2.54944772 4.18970711 -0.75435525
C 3.23886587 3.66598687 -1.84560323
C 2.73959692 5.51381134 -0.38257283
C 4.11335702 4.46289398 -2.55721754
H 3.07810235 2.63067191 -2.11776905
C 3.61862719 6.30781297 -1.10032319
H 2.20460958 5.92142101 0.46470896
C 4.30371237 5.78561957 -2.18429237
H 4.64876173 4.05700733 -3.40268837
H 3.76839604 7.33790083 -0.81101779
H 4.98783308 6.40972116 -2.74000723
C 3.55450599 -3.73564143 0.62723989
C 4.66366836 -3.18037901 -0.00230588
C 3.71022377 -4.38192229 1.84990936
C 5.91575819 -3.29528333 0.57427028
H 4.54120860 -2.64774646 -0.93423308
C 4.96380914 -4.48942784 2.42330730
H 2.84753860 -4.78831518 2.35749369
C 6.06987337 -3.95342507 1.78348259
H 6.77356775 -2.86298969 0.07998029
H 5.07821906 -4.99098631 3.37323269
H 7.04858795 -4.04012936 2.23219141
C 1.62499704 -5.32303995 -0.73167827
C 0.32899531 -5.72974559 -1.03638702
C 2.68651777 -6.19706025 -0.94178402
C 0.10087259 -6.99348342 -1.54690955
H -0.49537345 -5.05549602 -0.85371684
C 2.45196522 -7.46127555 -1.45334041
H 3.69561498 -5.89185305 -0.69812026
C 1.16152928 -7.86040493 -1.75856654
H -0.90696412 -7.30553895 -1.77837423
H 3.28009105 -8.13648680 -1.61293066
H 0.98226060 -8.84805870 -2.15701230
130
conf 6  E=-192.86492393 Eh  dE=0.005 kcal/mol  pop=1.26%
Ir -0.38736201 0.10038349 -0.03719103
C -1.66180089 1.09674785 1.37161502
C -1.06734238 1.85306261 2.40940530
C -3.05260197 1.31925481 1.30432932
C -1.74747932 2.69437614 3.26278016
H -0.00076874 1.77313228 2.56424232
C -3.76775358 2.18867384 2.14250722
C -3.11792337 2.88113397 3.13384390
H -1.20691103 3.22546680 4.03651979
H -3.65622583 3.55499323 3.78574615
C -1.91693242 -0.38831665 -1.45825645
C -3.30788930 -0.18764527 -1.35174943
C -1.58576433 -1.06117963 -2.65730075
C -4.24697834 -0.52030362 -2.34010972
C -2.48673962 -1.41500469 -3.63938718
H -0.55317575 -1.31966100 -2.83962466
C -3.83831651 -1.12577502 -3.50316667
H -2.13566463 -1.91720390 -4.53216212
H -4.54758654 -1.37742841 -4.27931447
C -0.77523808 -1.82675393 0.66415999
C -2.01994147 -2.10610792 1.26086211
C 0.06768038 -2.95230582 0.62585271
C -2.39172956 -3.33508434 1.75748734
H -2.72905426 -1.29038773 1.35678402
C -0.28767990 -4.22211976 1.10161805
C -1.52324286 -4.41860562 1.67178709
H -3.36452393 -3.46317774 2.21535477
H -1.81056774 -5.39105394 2.04629313
C 1.08511001 -0.48733821 -1.41464709
C 1.97284130 -1.57443261 -1.28567049
C 1.32625728 0.26292652 -2.59156702
C 3.00903860 -1.86660058 -2.18427743
C 2.31684652 -0.02435986 -3.50623229
H 0.66070623 1.08278339 -2.82604331
C 3.19467028 -1.08164910 -3.29674772
H 2.41288664 0.57595068 -4.40173937
H 3.98313743 -1.29873253 -4.00351640
C -0.21680879 2.06869817 -0.74288878
C -1.33285030 2.72273467 -1.30448079
C 0.92882994 2.88428753 -0.71598961
C -1.31856584 4.01443279 -1.78296144
H -2.26175380 2.16924564 -1.38396710
C 0.96987968 4.20686299 -1.18003746
C -0.15792484 4.77821711 -1.71900757
H -2.21465979 4.44392646 -2.21403194
H -0.14232596 5.79632463 -2.08210921
C 1.19405692 0.23334985 1.33362029
C 2.36425865 1.00551057 1.19096389
C 1.19794111 -0.53355551 2.52308999
C 3.44342910 0.98532664 2.08543005
C 2.23292602 -0.54494300 3.43355033
H 0.31660513 -1.11118601 2.76789745
C 3.38885720 0.19319642 3.20719102
H 2.14679217 -1.13208907 4.33884044
H 4.21025216 0.16983682 3.90946497
H -4.83231470 2.33625550 1.99241591
H -5.29674019 -0.29290540 -2.18645694
H 0.40634139 -5.05127417 1.01110444
H 3.64672811 -2.72849484 -2.01485840
H 1.88577966 4.78352371 -1.10259896
H 4.30997472 1.61364044 1.90544569
P -4.08958898 0.46854558 0.11990081
P 2.48067910 2.27747305 -0.06491646
P 1.72261254 -2.83224372 -0.03617013
C -5.38823753 1.63348429 -0.40388237
C -5.02441940 2.93878327 -0.72272550
C -6.71456268 1.23712383 -0.54085890
C -5.97559418 3.83263953 -1.17651525
H -3.99695145 3.24866389 -0.59625425
C -7.66278871 2.13687380 -0.99491377
H -7.00744995 0.22733927 -0.28529889
C -7.29545387 3.43281063 -1.31618453
H -5.68867987 4.84495916 -1.42062226
H -8.69184711 1.82414164 -1.09759001
H -8.03816884 4.13183486 -1.67124494
C -5.05956251 -0.86634830 0.91025189
C -5.21624042 -2.10229254 0.29163802
C -5.64704996 -0.63992523 2.15137720
C -5.97361967 -3.08825616 0.89776118
H -4.73308203 -2.29287104 -0.65565151
C -6.39975475 -1.63102234 2.75405595
H -5.50497141 0.30785872 2.64979036
C -6.57090192 -2.85396714 2.12557837
H -6.09238748 -4.04562933 0.41172496
H -6.85279109 -1.44957469 3.71782354
H -7.16123521 -3.62606652 2.59687485
C 3.20942460 3.70049412 0.80193011
C 2.43530187 4.25254100 1.81990616
C 4.46209261 4.22806235 0.51895237
C 2.91168230 5.32597306 2.54584596
H 1.45979857 3.83016358 2.02337478
C 4.93410062 5.30527197 1.25050434
H 5.06504931 3.80105111 -0.27114804
C 4.16279568 5.85336795 2.26108273
H 2.31076800 5.75484476 3.33394054
H 5.90796349 5.71726395 1.02911715
H 4.53613345 6.69339203 2.82794699
C 3.70518311 1.89977127 -1.35414015
C 4.69059543 0.95165167 -1.11286153
C 3.70193649 2.60981229 -2.55001797
C 5.66862526 0.71446792 -2.06180500
H 4.68341742 0.40888465 -0.17906344
C 4.68647249 2.37415732 -3.49113623
H 2.92124336 3.33229565 -2.74042377
C 5.67054202 1.42881829 -3.24807710
H 6.43282028 -0.02631642 -1.87516212
H 4.68687876 2.92658601 -4.41950534
H 6.43685014 1.24602881 -3.98709536
C 2.99605852 -2.82621002 1.26052594
C 4.22746710 -2.23120674 1.01965929
C 2.76228842 -3.47471103 2.46850388
C 5.22042347 -2.28489439 1.98118606
H 4.39807966 -1.73323440 0.07641002
C 3.76161847 -3.53327661 3.42150587
H 1.79521535 -3.91773751 2.65883497
C 4.99067079 -2.94010521 3.17930151
H 6.17682644 -1.81753763 1.79554601
H 3.58195143 -4.03959901 4.35875083
H 5.76817846 -2.98509654 3.92769869
C 1.99964344 -4.40619906 -0.90173467
C 3.01511239 -5.30009493 -0.58931016
C 1.11631248 -4.68972595 -1.94072087
C 3.14210814 -6.47377786 -1.31340757
H 3.70127514 -5.08044621 0.21761441
C 1.24861015 -5.86130570 -2.65913067
H 0.33029792 -3.98062046 -2.16701533
C 2.26247072 -6.75474182 -2.34507297
H 3.93079503 -7.17071917 -1.06968425
H 0.56315699 -6.08251652 -3.46374266
H 2.36613518 -7.67187216 -2.90584577
130
conf 7  E=-192.86492340 Eh  dE=0.006 kcal/mol  pop=1.26%
Ir -0.34639549 0.01629672 0.06718122
C -1.62845131 0.85283762 1.56698811
C -1.07216864 1.49471487 2.69779395
C -3.03576339 0.92440586 1.57821140
C -1.80078054 2.05627432 3.72488823
H 0.00276298 1.55377197 2.78519560
C -3.80521492 1.47112005 2.61644748
C -3.18941284 2.03014528 3.70954672
H -1.28467108 2.51578425 4.55855822
H -3.76799264 2.44458665 4.52330103
C -1.89866756 -0.73917152 -1.20573991
C -3.29486821 -0.69921864 -1.01039348
C -1.54941695 -1.61564535 -2.26039248
C -4.22932175 -1.44784541 -1.74254437
C -2.44595616 -2.34596465 -3.00993397
H -0.50544463 -1.73246632 -2.51369707
C -3.80896392 -2.27943050 -2.75089387
H -2.08429073 -2.98942014 -3.80250075
H -4.51737421 -2.86587663 -3.31932164
C -0.52953008 -1.92567245 0.83962607
C -1.70944977 -2.31863327 1.50433805
C 0.41751817 -2.96247124 0.76472730
C -1.92529820 -3.57275499 2.03134388
H -2.49547143 -1.58140895 1.62679719
C 0.21990112 -4.25340445 1.27519528
C -0.95653603 -4.56391894 1.91428647
H -2.85422404 -3.79509996 2.54231285
H -1.12368564 -5.55405780 2.31457139
C 1.07040301 -0.47369696 -1.39974734
C 2.06558964 -1.46680778 -1.30359174
C 1.14881949 0.24953525 -2.61405530
C 3.06071624 -1.69044616 -2.26537570
C 2.09783427 0.02600403 -3.58862018
H 0.38955445 0.99127818 -2.82316602
C 3.09073548 -0.93038827 -3.40999639
H 2.07086176 0.59772067 -4.50740432
H 3.84762595 -1.09410674 -4.16413984
C -0.38727613 1.96235267 -0.68390421
C -1.59349019 2.47723466 -1.19732420
C 0.66757033 2.89060921 -0.75205731
C -1.74547316 3.74383733 -1.71491971
H -2.45994149 1.82380570 -1.20443332
C 0.54160794 4.19363202 -1.25334163
C -0.66957273 4.62582165 -1.73961294
H -2.70586845 4.05922542 -2.10294787
H -0.78191091 5.62652976 -2.13261831
C 1.31202537 0.32402463 1.31682624
C 2.38927713 1.20262396 1.08479629
C 1.48257146 -0.43028065 2.50329192
C 3.52635652 1.29924122 1.89979693
C 2.57565382 -0.32922335 3.33702468
H 0.68436728 -1.09109492 2.81382525
C 3.63104168 0.52086468 3.02738496
H 2.61432778 -0.91453843 4.24668787
H 4.49694141 0.59012877 3.67059311
H -4.88828526 1.44547933 2.55810359
H -5.28475606 -1.39104225 -1.49670732
H 0.98790427 -5.01050792 1.15556153
H 3.79081264 -2.48001585 -2.11812096
H 1.39497985 4.86386378 -1.24765882
H 4.31095193 2.00807389 1.65448190
P -4.04729116 0.37639430 0.20527602
P 2.30818306 2.45129810 -0.19628644
P 2.00823306 -2.70701266 -0.01242915
C -4.79776140 1.84297234 -0.59030797
C -4.68343668 3.10765133 -0.02253396
C -5.49400086 1.68654689 -1.78512680
C -5.28158623 4.19588995 -0.63188203
H -4.11511988 3.23802397 0.88701250
C -6.08614718 2.77901428 -2.39151779
H -5.56098632 0.71153984 -2.24541187
C -5.98783659 4.03408662 -1.81263752
H -5.19045610 5.17536556 -0.18541426
H -6.62463152 2.65134548 -3.31928260
H -6.45303604 4.88588837 -2.28673955
C -5.50394643 -0.48268543 0.88293830
C -5.38932679 -1.82519944 1.23253753
C -6.70381598 0.18493010 1.10664188
C -6.46018830 -2.48729110 1.80254671
H -4.46325910 -2.34687887 1.03846993
C -7.77242096 -0.48302778 1.67816836
H -6.80498282 1.22532529 0.82713080
C -7.65197431 -1.81708580 2.02970222
H -6.36700940 -3.52982790 2.06929702
H -8.70193003 0.04045121 1.84897015
H -8.48783347 -2.33495600 2.47638717
C 2.95989626 3.95603442 0.58796670
C 2.22937843 4.43820822 1.67163327
C 4.11382009 4.61194534 0.18079705
C 2.65162026 5.56964437 2.34067678
H 1.33137175 3.91348382 1.97172402
C 4.53167334 5.74690155 0.85577570
H 4.68209930 4.23820029 -0.66038297
C 3.80436562 6.22501691 1.93249241
H 2.08526485 5.94410456 3.18046483
H 5.42878465 6.25860811 0.53867556
H 4.13547065 7.11023925 2.45507383
C 3.46363740 2.14905392 -1.56624345
C 4.55468386 1.31079587 -1.37776501
C 3.29604166 2.80947895 -2.77869413
C 5.47426552 1.13427266 -2.39567340
H 4.67499453 0.80638534 -0.43029130
C 4.22353049 2.63646826 -3.78888498
H 2.43443979 3.44468643 -2.92687011
C 5.31286026 1.80082555 -3.59878167
H 6.32034976 0.47792706 -2.25066270
H 4.09684484 3.15239516 -4.72957554
H 6.03416979 1.66602732 -4.39135936
C 3.37330680 -2.56491297 1.17927712
C 4.51138245 -1.84402636 0.84232397
C 3.30920899 -3.23215763 2.39794711
C 5.57971204 -1.78949101 1.71911435
H 4.54976498 -1.33305692 -0.10843455
C 4.38348741 -3.18123514 3.26619820
H 2.41376482 -3.77532803 2.66417919
C 5.51892519 -2.46156506 2.92834398
H 6.46298953 -1.22403745 1.45868843
H 4.33583627 -3.70117124 4.21201169
H 6.35509215 -2.42137097 3.61088954
C 2.35681062 -4.26928789 -0.87471674
C 1.41393900 -4.66039515 -1.82274240
C 3.48232894 -5.05071748 -0.65119121
C 1.59659217 -5.82682635 -2.53820678
H 0.54120788 -4.03964802 -1.97962256
C 3.65931319 -6.22029690 -1.37181460
H 4.21553545 -4.74823323 0.08450746
C 2.72055588 -6.60831171 -2.31246860
H 0.86482144 -6.13125682 -3.27173636
H 4.53382687 -6.83000549 -1.19649419
H 2.86355522 -7.52164820 -2.87082031
130
conf 8  E=-192.86492334 Eh  dE=0.006 kcal/mol  pop=1.26%
Ir 0.12380838 -0.32136666 -0.04714997
C -0.96765969 0.75456141 1.38616750
C -0.40424547 1.08235909 2.64269713
C -2.26402994 1.28367165 1.22761771
C -1.03724738 1.84659135 3.59967217
H 0.56161324 0.66847545 2.89952754
C -2.91467098 2.09019756 2.17166019
C -2.29400857 2.39024605 3.36059158
H -0.55443631 2.02471326 4.55197724
H -2.78388513 3.00634050 4.10142003
C -1.54134827 -1.22426031 -0.95031391
C -2.87047801 -0.76506899 -0.93433745
C -1.39842941 -2.44037124 -1.64976797
C -3.94818768 -1.43871171 -1.52660541
C -2.43408398 -3.11461837 -2.25830374
H -0.40519226 -2.86779230 -1.73311782
C -3.73256864 -2.62042946 -2.19448932
H -2.24196659 -4.03713925 -2.79260530
H -4.55213352 -3.15148899 -2.65793728
C -0.04727649 -2.07839848 1.16986746
C -1.05505307 -2.12490604 2.16225571
C 0.54549122 -3.34334823 0.97764159
C -1.42227660 -3.25356845 2.86209590
H -1.58355588 -1.21452504 2.40779575
C 0.17577972 -4.51416729 1.65762161
C -0.81365765 -4.47617519 2.60852939
H -2.20247555 -3.19138678 3.61082420
H -1.11141778 -5.37125771 3.13679868
C 1.48591939 -1.13538731 -1.48662928
C 2.10359741 -2.40190304 -1.49088787
C 1.93068652 -0.34267684 -2.57007298
C 2.97612141 -2.86767354 -2.48617295
C 2.80094592 -0.76511545 -3.55256594
H 1.56738908 0.67086629 -2.65560860
C 3.32143250 -2.05270530 -3.53646366
H 3.07558609 -0.08818922 -4.35182439
H 3.98391478 -2.40062368 -4.31668829
C -0.16188808 1.35987770 -1.27152584
C -0.85457751 1.25864294 -2.50271192
C 0.21694122 2.68587832 -0.98143547
C -1.13761617 2.32856146 -3.32438968
H -1.13458768 0.27581323 -2.85795683
C -0.08762334 3.79417960 -1.78485868
C -0.78118913 3.62144589 -2.95844161
H -1.63963505 2.16332944 -4.26900603
H -1.01684432 4.46444102 -3.59261311
C 1.88332051 0.37264170 0.83254593
C 2.32694799 1.70145490 0.96053122
C 2.79202934 -0.55469506 1.37822337
C 3.54566851 2.07429215 1.54406515
C 3.98625354 -0.22027011 1.97585871
H 2.52365454 -1.60572400 1.34510374
C 4.38218268 1.11114185 2.05664876
H 4.62370032 -0.99468952 2.38344599
H 5.32406487 1.38284153 2.51217052
H -3.91735925 2.45595398 1.97452837
H -4.95254762 -1.03572015 -1.44815441
H 0.65246875 -5.45831196 1.41464529
H 3.37329798 -3.87554469 -2.42866029
H 0.24786875 4.78438906 -1.49257786
H 3.83440124 3.11961975 1.58140745
P -3.30463573 0.77720602 -0.13920576
P 1.32268067 3.05951464 0.37635564
P 1.90290564 -3.58642709 -0.16218866
C -3.63401803 2.11897294 -1.32000433
C -4.14905882 1.82992200 -2.57916335
C -3.43758000 3.43920338 -0.93701379
C -4.47224800 2.86034436 -3.44190489
H -4.28046019 0.80038955 -2.88010525
C -3.75632651 4.46572093 -1.80746597
H -3.03780265 3.65031993 0.04398168
C -4.27866790 4.17771893 -3.05719851
H -4.87401216 2.63759740 -4.41972655
H -3.60057147 5.49284647 -1.51024418
H -4.53130155 4.97996824 -3.73483693
C -4.92824203 0.47078792 0.61966020
C -6.06793064 1.21677309 0.35068771
C -4.98113530 -0.57622499 1.53695142
C -7.25506986 0.91194752 0.99554240
H -6.02810604 2.03038580 -0.36122340
C -6.16760412 -0.87471919 2.17677252
H -4.08318682 -1.14875941 1.73036073
C -7.30626952 -0.12993843 1.90595705
H -8.14274999 1.49074296 0.78517871
H -6.20937203 -1.68768600 2.88643754
H -8.23505413 -0.36314150 2.40526956
C 0.51502565 3.97516155 1.72259190
C 1.11565653 4.04582255 2.97496060
C -0.66958454 4.65892077 1.48197141
C 0.53543708 4.80515745 3.97370893
H 2.02587716 3.49473794 3.16304475
C -1.24946819 5.41034367 2.48792750
H -1.12548452 4.59821480 0.50462734
C -0.64551902 5.48868644 3.73146275
H 1.00269894 4.86278220 4.94560640
H -2.17392388 5.93834774 2.30245467
H -1.09796405 6.07891998 4.51479489
C 2.50629718 4.25589665 -0.31044793
C 2.65611628 5.55795138 0.14751931
C 3.28667376 3.79427925 -1.36789056
C 3.58604622 6.39214590 -0.45056797
H 2.05018233 5.91693041 0.96860559
C 4.21106166 4.63120840 -1.96051266
H 3.15602523 2.77498656 -1.70814779
C 4.36132078 5.93174913 -1.50126067
H 3.70479994 7.40494792 -0.09371470
H 4.81673386 4.27388000 -2.78005164
H 5.08480159 6.58694444 -1.96352934
C 3.49276791 -3.73928123 0.73015263
C 4.64504103 -3.11874064 0.25886788
C 3.54646042 -4.48891399 1.90141389
C 5.83979814 -3.26991029 0.93919993
H 4.59963221 -2.50793288 -0.63113127
C 4.74296108 -4.63276477 2.57931248
H 2.64904212 -4.94917918 2.28824263
C 5.89326775 -4.03033657 2.09594279
H 6.73150629 -2.78665641 0.56729006
H 4.77790785 -5.21553281 3.48825770
H 6.82752911 -4.14623170 2.62554735
C 1.71537763 -5.23963598 -0.90400177
C 0.45590056 -5.64077320 -1.34029745
C 2.80753506 -6.08046056 -1.09273615
C 0.29484873 -6.86461029 -1.96190762
H -0.39412350 -4.99494798 -1.17357886
C 2.64026403 -7.30432526 -1.71626645
H 3.78755648 -5.78118289 -0.74508821
C 1.38653436 -7.69657960 -2.15458171
H -0.68496292 -7.17267619 -2.29629528
H 3.49195794 -7.95328665 -1.85988161
H 1.25973819 -8.65194255 -2.64201868
130
conf 9  E=-192.86492292 Eh  dE=0.006 kcal/mol  pop=1.25%
Ir 0.14940902 -0.36721694 -0.06496173
C -0.89644521 0.74995808 1.36863101
C -0.30211517 1.09079695 2.60716614
C -2.19237811 1.28603011 1.23140375
C -0.90874357 1.87068405 3.56841632
H 0.66813209 0.67567107 2.84600027
C -2.81561460 2.11018820 2.17879979
C -2.16675733 2.42016641 3.34997801
H -0.40383745 2.05733019 4.50760262
H -2.63620267 3.04854962 4.09372836
C -1.54558743 -1.27882660 -0.90060619
C -2.86737654 -0.79958679 -0.87306203
C -1.43363214 -2.51681320 -1.56664501
C -3.96514062 -1.47228428 -1.42859163
C -2.48983645 -3.19200906 -2.13749738
H -0.44873763 -2.96220416 -1.65343169
C -3.77911966 -2.67493199 -2.06732430
H -2.32142366 -4.13324865 -2.64656649
H -4.61477874 -3.20482903 -2.50256611
C -0.00168752 -2.08895486 1.20648421
C -0.99159591 -2.10384862 2.21773705
C 0.58857828 -3.35953897 1.04568923
C -1.34319950 -3.20841232 2.96279286
H -1.52058431 -1.18809668 2.43975848
C 0.23613453 -4.50646589 1.77403999
C -0.73469771 -4.43751287 2.74225903
H -2.11113870 -3.12174336 3.72160247
H -1.01888300 -5.31388909 3.30800460
C 1.46344822 -1.23836916 -1.51702206
C 2.07175207 -2.50952284 -1.49843250
C 1.87582281 -0.48772306 -2.64227785
C 2.90399433 -3.01780724 -2.50739789
C 2.70653859 -0.95226928 -3.64005885
H 1.51897236 0.52610209 -2.74919172
C 3.21659577 -2.24338754 -3.59790412
H 2.95772476 -0.30613694 -4.47186145
H 3.84683223 -2.62462316 -4.38922613
C -0.15883606 1.28369071 -1.32470937
C -0.87741652 1.15317658 -2.53821428
C 0.22187419 2.61706366 -1.07234189
C -1.18283706 2.20404837 -3.37640444
H -1.16163613 0.16198968 -2.86532474
C -0.10583773 3.70655486 -1.89202437
C -0.82476982 3.50589444 -3.04575973
H -1.70435594 2.01666773 -4.30619221
H -1.07887135 4.33414809 -3.69205137
C 1.93606903 0.34355008 0.74491641
C 2.38530320 1.67426966 0.82672026
C 2.86009390 -0.57188654 1.28441048
C 3.62268726 2.05839777 1.36180498
C 4.07450660 -0.22621776 1.83293126
H 2.58787331 -1.62245072 1.28643801
C 4.47503361 1.10581384 1.86810599
H 4.72412019 -0.99177259 2.23772662
H 5.43199862 1.38632481 2.28521072
H -3.81969504 2.48139837 1.99943749
H -4.96190165 -1.05187490 -1.34407641
H 0.71220444 -5.45701345 1.55595813
H 3.29460981 -4.02703487 -2.42863930
H 0.23109724 4.70412156 -1.62860630
H 3.91261140 3.10403797 1.36611288
P -3.26895112 0.76336918 -0.10138365
P 1.36272678 3.02022650 0.24761274
P 1.91384956 -3.64429612 -0.12164290
C -3.62084925 2.08549974 -1.29776492
C -3.40661064 3.41078434 -0.94278128
C -4.17082359 1.77852003 -2.53787171
C -3.74150315 4.42453385 -1.82215404
H -2.98081378 3.63534914 0.02417084
C -4.51116365 2.79624505 -3.40894909
H -4.31626169 0.74492411 -2.81755895
C -4.29871360 4.11876187 -3.05240252
H -3.57071261 5.45548834 -1.54711964
H -4.94108753 2.55960290 -4.37148192
H -4.56412272 4.91102402 -3.73689892
C -4.87473474 0.48200520 0.70399664
C -4.91017263 -0.54932701 1.63982180
C -6.01629026 1.23122263 0.45270154
C -6.08098666 -0.82893994 2.31578879
H -4.01103708 -1.12474572 1.81868865
C -7.18784384 0.94535561 1.13392483
H -5.99042756 2.03259852 -0.27358439
C -7.22159614 -0.08073686 2.06283303
H -6.10893025 -1.62966910 3.03992217
H -8.07698998 1.52678562 0.93735494
H -8.13817708 -0.29909155 2.59061830
C 0.59633400 3.95734853 1.60305304
C -0.58682719 4.65011887 1.38251158
C 1.22790201 4.03659903 2.83973565
C -1.13554047 5.41961264 2.39247393
H -1.06551306 4.58336109 0.41695730
C 0.67880112 4.81316310 3.84263458
H 2.13788273 3.47956490 3.01167065
C -0.50126402 5.50567792 3.62045026
H -2.05844611 5.95525297 2.22139267
H 1.16863461 4.87678320 4.80334339
H -0.92872459 6.10894809 4.40782968
C 2.51950953 4.21048505 -0.49402837
C 3.27915186 3.73229116 -1.55926683
C 2.66433186 5.52530818 -0.07231636
C 4.17786189 4.56514173 -2.19551218
H 3.15260142 2.70337202 -1.87090233
C 3.56798956 6.35561638 -0.71457388
H 2.07505311 5.89790213 0.75482630
C 4.32251271 5.87873297 -1.77295037
H 4.76738391 4.19454369 -3.02098033
H 3.68218478 7.37862330 -0.38645113
H 5.02492743 6.53136966 -2.27006342
C 3.52985217 -3.76636864 0.72745929
C 4.67265552 -3.18881833 0.18376915
C 3.61327905 -4.44531622 1.93940861
C 5.88703600 -3.31324473 0.83417845
H 4.60481302 -2.63134794 -0.73919142
C 4.82947701 -4.56229936 2.58698565
H 2.72358113 -4.87009047 2.38106778
C 5.96973317 -4.00344280 2.03254860
H 6.77108970 -2.86329742 0.40634559
H 4.88762220 -5.08914839 3.52831751
H 6.91910911 -4.09728235 2.53916976
C 1.70064156 -5.32330217 -0.79562476
C 2.78052606 -6.18323955 -0.96730118
C 0.42931409 -5.72846780 -1.19270814
C 2.58906100 -7.43110415 -1.53401294
H 3.76992597 -5.87995894 -0.65110879
C 0.24421598 -6.97581739 -1.75800480
H -0.41067408 -5.06629724 -1.03906165
C 1.32358585 -7.82788167 -1.93266153
H 3.43125888 -8.09525248 -1.66399766
H -0.74463841 -7.28673901 -2.06183137
H 1.17804415 -8.80224415 -2.37517869
130
conf 10  E=-192.86492104 Eh  dE=0.007 kcal/mol  pop=1.25%
Ir -0.36234094 0.02694244 -0.05410404
C -1.79216685 0.94191446 1.25483887
C -1.32415575 1.77310827 2.29999802
C -3.18926920 1.05020789 1.09585368
C -2.11835841 2.59196238 3.07299864
H -0.26728893 1.77651470 2.52572935
C -4.01915606 1.89256328 1.85155782
C -3.48682697 2.67174520 2.84874914
H -1.67048549 3.19049870 3.85669950
H -4.11389151 3.32901117 3.43496997
C -1.76154857 -0.66908471 -1.51967474
C -3.16845344 -0.59727781 -1.49165749
C -1.30509570 -1.36726364 -2.66189022
C -4.01864118 -1.07257237 -2.50171108
C -2.11582242 -1.86001546 -3.66245742
H -0.24417418 -1.53093429 -2.78136921
C -3.49425812 -1.69869429 -3.60595610
H -1.67238006 -2.37227159 -4.50715005
H -4.13528930 -2.06168959 -4.39718110
C -0.59898561 -1.90216900 0.70579346
C -1.83886329 -2.27654763 1.25941636
C 0.34508012 -2.94429246 0.74435194
C -2.11658781 -3.51711817 1.78785633
H -2.62533796 -1.52943620 1.29234038
C 0.08728275 -4.22499214 1.25269013
C -1.14851656 -4.51635310 1.78003350
H -3.09295992 -3.72036932 2.20942293
H -1.36135461 -5.49786009 2.17978912
C 1.22260391 -0.45813753 -1.34238239
C 2.19775383 -1.45499659 -1.13911875
C 1.45243872 0.28130898 -2.52825680
C 3.29842516 -1.67425408 -1.97992666
C 2.50855610 0.06294827 -3.38683926
H 0.72735288 1.03004369 -2.81799727
C 3.46675944 -0.90404326 -3.10542923
H 2.59420040 0.64734563 -4.29386576
H 4.30531505 -1.06582908 -3.76797569
C -0.35889012 1.97942551 -0.82350046
C -1.50654405 2.49188602 -1.46308780
C 0.68641129 2.91806301 -0.75950622
C -1.60881371 3.76664155 -1.97477388
H -2.36245819 1.83575980 -1.57797297
C 0.60540303 4.22807862 -1.25298680
C -0.54716257 4.65855232 -1.86554107
H -2.52045326 4.08300602 -2.46697870
H -0.62519753 5.66495905 -2.25235984
C 1.13953668 0.35967110 1.37302222
C 2.23231874 1.24073506 1.24740968
C 1.18187535 -0.37873327 2.57995006
C 3.28033200 1.34465772 2.17258113
C 2.18472976 -0.27030596 3.51969734
H 0.35347826 -1.03403727 2.81372561
C 3.26971908 0.57291859 3.30975733
H 2.12881209 -0.84536162 4.43507355
H 4.06791407 0.64380072 4.03519232
H -5.08015890 1.95127303 1.63204344
H -5.09170574 -0.94072549 -2.41134703
H 0.85719685 -4.98893738 1.21985090
H 4.00232381 -2.46949791 -1.75523159
H 1.44535471 4.90580790 -1.14088800
H 4.08628628 2.05167628 2.00288574
P -4.08300232 0.06408621 -0.10071859
P 2.26405533 2.49414285 -0.03149362
P 2.00788873 -2.69468381 0.13895387
C -5.44538525 1.08411770 -0.75077995
C -5.18809079 2.40893605 -1.09219034
C -6.71479378 0.55520031 -0.96145401
C -6.18699282 3.19034764 -1.64130272
H -4.20747432 2.82341823 -0.90790750
C -7.71102876 1.34242707 -1.51149341
H -6.92709079 -0.46988392 -0.68758719
C -7.44882741 2.65811198 -1.85508506
H -5.98270885 4.21857171 -1.90176111
H -8.69523894 0.92648602 -1.67149839
H -8.22862164 3.26936360 -2.28481223
C -4.97939225 -1.31045017 0.70782271
C -4.96920985 -2.59208573 0.16725869
C -5.68158318 -1.06702063 1.88452092
C -5.67480105 -3.60900174 0.78473075
H -4.39805401 -2.79225122 -0.72768116
C -6.38144298 -2.08874319 2.49947006
H -5.67159579 -0.08009703 2.32352844
C -6.38579593 -3.35957685 1.94724119
H -5.66417710 -4.60173669 0.35884109
H -6.92438299 -1.89339905 3.41277675
H -6.93552502 -4.15575312 2.42747044
C 2.80571217 4.00147562 0.82910663
C 1.94487829 4.48160182 1.81340783
C 4.00272368 4.65712134 0.57367641
C 2.28053463 5.61055438 2.53389290
H 1.01435017 3.95952236 1.99522664
C 4.33317409 5.78950733 1.29934483
H 4.67231173 4.28551452 -0.19040705
C 3.47624444 6.26551778 2.27708560
H 1.61269973 5.98359314 3.29618190
H 5.26367380 6.30091655 1.09960802
H 3.73962933 7.14873187 2.84005275
C 3.56583225 2.22045271 -1.27000264
C 4.62793428 1.37313748 -0.98306346
C 3.53459142 2.91149855 -2.47682193
C 5.65411589 1.21789640 -1.89741527
H 4.64108640 0.84277240 -0.04224056
C 4.56651675 2.75779336 -3.38328210
H 2.69595901 3.55417005 -2.70370476
C 5.62702432 1.91310028 -3.09471221
H 6.47829780 0.55520089 -1.67560843
H 4.54414968 3.29538733 -4.32013330
H 6.43040442 1.79369545 -3.80673562
C 3.23106579 -2.53507113 1.47390891
C 3.02887255 -3.18860277 2.68504397
C 4.39818488 -1.81280041 1.26229052
C 3.99659330 -3.12555835 3.66988490
H 2.10947259 -3.73079618 2.85316997
C 5.35935020 -1.74667144 2.25475530
H 4.54438705 -1.30952054 0.31780453
C 5.16231119 -2.40681373 3.45599415
H 3.84159645 -3.63528434 4.60971101
H 6.26538712 -1.18116965 2.09110221
H 5.91547538 -2.35815485 4.22866887
C 2.45171399 -4.26075012 -0.66978885
C 3.53282942 -5.05101905 -0.30353232
C 1.63174457 -4.64737712 -1.72746693
C 3.78849915 -6.22473109 -0.99303504
H 4.17014239 -4.75125034 0.51760865
C 1.89239483 -5.81815757 -2.41110619
H 0.79266440 -4.01807202 -1.99540078
C 2.97210212 -6.60810940 -2.04351360
H 4.62850279 -6.84137570 -0.70782904
H 1.25641781 -6.11887220 -3.23045818
H 3.17661513 -7.52443497 -2.57726919
130
conf 11  E=-192.86492072 Eh  dE=0.007 kcal/mol  pop=1.25%
Ir 0.15642431 0.32882953 0.02430297
C -1.38845548 1.45392716 0.89152437
C -1.10075644 2.67091152 1.54350959
C -2.76240102 1.15352947 0.89337249
C -2.04720887 3.48494553 2.12555780
H -0.06392116 2.98187999 1.60898815
C -3.75074956 1.97109449 1.46000773
C -3.39495421 3.14399358 2.08178497
H -1.74592625 4.39908136 2.62257502
H -4.14455000 3.78447207 2.52500297
C -1.06096925 -0.66392610 -1.36690639
C -2.40997473 -1.03074792 -1.18865694
C -0.54520157 -1.10311039 -2.60975390
C -3.15464324 -1.79026234 -2.10176443
C -1.26731822 -1.82338467 -3.53722189
H 0.46206866 -0.81666737 -2.88116711
C -2.57843454 -2.20575734 -3.27827091
H -0.81228578 -2.09392705 -4.48139578
H -3.14048277 -2.78733366 -3.99540302
C -0.31787239 -1.26145557 1.30938671
C -0.98867256 -1.03361535 2.53587523
C -0.09950778 -2.63274061 1.06898867
C -1.39325918 -2.03147476 3.39638108
H -1.14820904 -0.01216454 2.85448875
C -0.53246521 -3.66695188 1.91139258
C -1.19635362 -3.37017731 3.07722113
H -1.86725267 -1.77332469 4.33459903
H -1.52932719 -4.15516574 3.74144612
C 1.82079335 -0.59757813 -0.82882200
C 2.11252850 -1.97209311 -0.89601935
C 2.82389957 0.19588393 -1.41863581
C 3.28038916 -2.50501185 -1.45927071
C 3.97043424 -0.29686227 -1.99998607
H 2.67402089 1.27048286 -1.43590813
C 4.21687380 -1.66611559 -2.01552266
H 4.68722006 0.38158952 -2.44514368
H 5.12116294 -2.06183738 -2.45615807
C 0.18884889 2.04767706 -1.25726552
C -0.81488798 2.17927599 -2.24596796
C 0.93507515 3.23630260 -1.11883049
C -1.04573917 3.31605155 -2.98978029
H -1.45598477 1.33351068 -2.44992394
C 0.70825380 4.41531311 -1.84553761
C -0.28696412 4.46230628 -2.79013233
H -1.83525315 3.32151957 -3.73117382
H -0.47547987 5.36501850 -3.35441952
C 1.60966006 1.03124384 1.43405055
C 2.37396467 2.21419954 1.38857137
C 1.95697848 0.23750830 2.55187618
C 3.29590721 2.61440089 2.36773007
C 2.87065510 0.59493635 3.52076205
H 1.47606083 -0.72128873 2.67788231
C 3.54090113 1.80952251 3.45347879
H 3.06186214 -0.07508891 4.34963747
H 4.23983680 2.10890402 4.22197139
H -4.79581129 1.68582599 1.39762676
H -4.19243787 -2.02844947 -1.89116076
H -0.31958207 -4.70000476 1.65492715
H 3.45102543 -3.57657566 -1.44614304
H 1.30216444 5.30108372 -1.64478624
H 3.81068575 3.56438742 2.26955099
P -3.37837882 -0.35630517 0.15869963
P 2.31829117 3.35600983 0.00980745
P 0.95886345 -3.18256282 -0.26645850
C -4.96144967 0.10433202 -0.60829393
C -6.17560802 -0.50068515 -0.31198270
C -4.90271120 1.11657764 -1.56351777
C -7.32467149 -0.09087136 -0.96761611
H -6.22335665 -1.28710735 0.42929160
C -6.05179347 1.52039778 -2.21374374
H -3.94789294 1.57894021 -1.77809303
C -7.26453644 0.91599516 -1.91598333
H -8.26967660 -0.56054450 -0.73601160
H -6.00675573 2.30632251 -2.95302547
H -8.16386320 1.23132611 -2.42408339
C -3.85538656 -1.60421307 1.39109255
C -4.32787438 -1.20686720 2.63748757
C -3.81823334 -2.95248235 1.06071584
C -4.76769133 -2.15664810 3.54011295
H -4.33546836 -0.15790084 2.89706043
C -4.25320143 -3.89881365 1.97097650
H -3.45016297 -3.24814336 0.08916829
C -4.73293433 -3.50193918 3.20786147
H -5.13687210 -1.84911682 4.50772894
H -4.22124302 -4.94813064 1.71496639
H -5.07621888 -4.24141857 3.91638622
C 2.33965151 5.05006461 0.67903148
C 3.52535777 5.76408247 0.81840950
C 1.14208288 5.61609680 1.10700832
C 3.51116286 7.02737920 1.38292689
H 4.45880987 5.33515909 0.47873175
C 1.13409773 6.87821957 1.66995211
H 0.22033068 5.06694566 0.97926227
C 2.31817744 7.58475094 1.81162742
H 4.43493147 7.57764791 1.48767076
H 0.20200608 7.31457143 1.99784782
H 2.31079175 8.57086940 2.25196225
C 3.91232674 3.26977385 -0.88359968
C 4.05269827 3.94422599 -2.09275366
C 4.98251868 2.54070529 -0.37562941
C 5.25596932 3.90614300 -2.77296517
H 3.21574546 4.48786439 -2.50621655
C 6.18503376 2.51039735 -1.05844640
H 4.86642424 1.98784725 0.54523970
C 6.32653984 3.19598008 -2.25392298
H 5.35846505 4.43064978 -3.71180728
H 7.01276833 1.94337698 -0.65802556
H 7.26629252 3.16919665 -2.78576304
C 1.99194309 -4.48154251 0.47411203
C 2.83939166 -4.06755444 1.49936238
C 1.96202562 -5.81617526 0.09320109
C 3.65223548 -4.98400949 2.13589366
H 2.84866263 -3.02196220 1.77945210
C 2.77995422 -6.73066856 0.73599561
H 1.30377451 -6.13820107 -0.70262759
C 3.62232237 -6.31757095 1.75412984
H 4.31039100 -4.66344974 2.92980034
H 2.75817293 -7.76945417 0.44002147
H 4.25739532 -7.03543498 2.25181607
C 0.05766700 -4.04421879 -1.58849214
C -1.20354896 -4.56971679 -1.33979026
C 0.65609542 -4.23141719 -2.83007103
C -1.86192524 -5.28123692 -2.32640035
H -1.65752215 -4.41767980 -0.37147477
C -0.00348149 -4.95014420 -3.80916232
H 1.62825290 -3.80187735 -3.02533830
C -1.26089644 -5.47672732 -3.55858271
H -2.84494934 -5.68661508 -2.13429920
H 0.46154695 -5.09841735 -4.77297351
H -1.77435302 -6.03564939 -4.32709535
130
conf 12  E=-192.86492047 Eh  dE=0.008 kcal/mol  pop=1.25%
Ir -0.34079910 0.09169715 -0.05431929
C -1.68917441 1.06107409 1.30331952
C -1.15246405 1.87381042 2.32974950
C -3.08920508 1.20221086 1.21347747
C -1.89095978 2.69103890 3.15769704
H -0.08468935 1.86255795 2.49560285
C -3.86424742 2.04302300 2.02713155
C -3.26862185 2.79118901 3.01205088
H -1.39178796 3.27160046 3.92366349
H -3.85410448 3.44339854 3.64501022
C -1.81531897 -0.50653685 -1.49102464
C -3.21494491 -0.35698256 -1.42292945
C -1.42885588 -1.19164628 -2.66624303
C -4.11546778 -0.74416473 -2.42712129
C -2.29069608 -1.59824768 -3.66300895
H -0.38347470 -1.41745953 -2.81600141
C -3.65498080 -1.35595858 -3.56728019
H -1.89873254 -2.10605553 -4.53531378
H -4.33447577 -1.64900243 -4.35537153
C -0.64740896 -1.82985169 0.70053375
C -1.89219616 -2.15452105 1.27317290
C 0.25408349 -2.90973724 0.72434153
C -2.21306186 -3.38338204 1.80448493
H -2.64615682 -1.37536912 1.31979081
C -0.04759064 -4.17905772 1.23698798
C -1.28649742 -4.42097109 1.78184578
H -3.19044957 -3.54710383 2.24059131
H -1.53297233 -5.39347839 2.18427557
C 1.18604646 -0.46752423 -1.38219701
C 2.12528838 -1.50229928 -1.19740549
C 1.41527202 0.25532701 -2.57841593
C 3.19415305 -1.77058424 -2.06457169
C 2.43847961 -0.01133678 -3.46289626
H 0.71448280 1.03227326 -2.85368851
C 3.36361070 -1.01502248 -3.19980790
H 2.52306198 0.56286785 -4.37652473
H 4.17720095 -1.21500693 -3.88276586
C -0.25567899 2.04531902 -0.81568667
C -1.39312085 2.62711404 -1.41306193
C 0.84771438 2.91718926 -0.79633897
C -1.43380189 3.90245562 -1.93184305
H -2.29398785 2.02806656 -1.48727254
C 0.83198583 4.22559988 -1.30064104
C -0.31281055 4.72397827 -1.87502207
H -2.34300373 4.27378935 -2.38889299
H -0.34035489 5.72971147 -2.27045519
C 1.20559572 0.34559809 1.33925198
C 2.33805012 1.17181281 1.19252968
C 1.22505584 -0.38237673 2.55273999
C 3.39788532 1.23635970 2.10771305
C 2.23926165 -0.30920536 3.48360310
H 0.37024156 -0.99768550 2.79970615
C 3.35980186 0.48086210 3.25520090
H 2.16408832 -0.86977518 4.40652643
H 4.16563072 0.52475704 3.97421907
H -4.93355301 2.12532502 1.86261475
H -5.17667106 -0.55524188 -2.30293317
H 0.69106017 -4.97278012 1.19457916
H 3.87152129 -2.59194133 -1.85272100
H 1.71711552 4.84897842 -1.22699440
H 4.23516009 1.90195720 1.92338364
P -4.05899995 0.28736004 0.01911225
P 2.41515681 2.40887739 -0.10084907
P 1.91550344 -2.72580248 0.09324515
C -5.39336669 1.39107190 -0.54664743
C -5.08162754 2.71173472 -0.85747571
C -6.69639102 0.93492729 -0.71657733
C -6.06149231 3.56164859 -1.33422224
H -4.07307095 3.06866465 -0.70599301
C -7.67338253 1.79072045 -1.19404302
H -6.94918237 -0.08726060 -0.46788430
C -7.35798840 3.10248818 -1.50576478
H -5.81536805 4.58650058 -1.57033258
H -8.68418379 1.43144037 -1.32146124
H -8.12325228 3.76751306 -1.87792398
C -4.98896823 -1.08229465 0.79788489
C -5.65015655 -0.86338725 2.00266509
C -5.04075734 -2.33977482 0.20528355
C -6.37032615 -1.88458075 2.59482537
H -5.59319728 0.10342174 2.48100805
C -5.76632625 -3.35590257 0.80022154
H -4.50178152 -2.52234471 -0.71302494
C -6.43579817 -3.13034373 1.99185722
H -6.88150329 -1.70825927 3.53007055
H -5.80311613 -4.32975340 0.33406793
H -7.00064284 -3.92610292 2.45493811
C 3.05573490 3.89234905 0.73369900
C 2.23936900 4.43222991 1.72486918
C 4.28277297 4.47733735 0.45067543
C 2.64857835 5.55000931 2.42438688
H 1.28438540 3.96528745 1.92842821
C 4.68728842 5.59878408 1.15554737
H 4.91833377 4.05973291 -0.31861828
C 3.87418354 6.13435260 2.13981023
H 2.01467680 5.96935245 3.19153217
H 5.64123355 6.05507816 0.93412299
H 4.19503341 7.00906318 2.68598200
C 3.67900008 2.05842413 -1.35922238
C 4.71398797 1.17806947 -1.07266998
C 3.65338234 2.72765675 -2.57818669
C 5.71853328 0.96765085 -1.99996510
H 4.72400309 0.66723035 -0.12104630
C 4.66444713 2.51965841 -3.49733201
H 2.83518139 3.39649666 -2.80389622
C 5.69761510 1.64156255 -3.20949005
H 6.52156179 0.27931226 -1.77851945
H 4.64706222 3.04088292 -4.44345000
H 6.48471727 1.47985910 -3.93128942
C 3.16327139 -2.60757807 1.40956611
C 4.36344188 -1.95218784 1.16763352
C 2.94762075 -3.23319631 2.63280955
C 5.34367612 -1.92312506 2.14309992
H 4.51992912 -1.47283812 0.21238500
C 3.93445151 -3.20834746 3.60037997
H 2.00404566 -3.72430671 2.82333643
C 5.13255890 -2.55536165 3.35693364
H 6.27566730 -1.40924763 1.95607913
H 3.76922014 -3.69660163 4.54980800
H 5.90031535 -2.53585226 4.11645455
C 2.29309280 -4.31347147 -0.70753146
C 1.44678333 -4.68128156 -1.75098814
C 3.34856368 -5.13950046 -0.34491861
C 1.65500181 -5.86899681 -2.42342479
H 0.62873130 -4.02405109 -2.01684084
C 3.55196795 -6.32967054 -1.02333399
H 4.00675978 -4.85480706 0.46493622
C 2.70874103 -6.69465716 -2.05908857
H 0.99802661 -6.15517626 -3.23133121
H 4.37184695 -6.97397783 -0.74066105
H 2.87206294 -7.62451370 -2.58351150
130
conf 13  E=-192.86491795 Eh  dE=0.009 kcal/mol  pop=1.25%
Ir -0.34271500 -0.05170139 0.02863181
C -1.71452855 0.75629383 1.46448382
C -1.23064815 1.40787952 2.62257856
C -3.12274012 0.78320247 1.41295031
C -2.02237504 1.93514299 3.62099166
H -0.16333153 1.50410047 2.75666273
C -3.95525043 1.29382660 2.42058741
C -3.40718376 1.86124842 3.54501089
H -1.55914491 2.40466822 4.47968691
H -4.03472392 2.24753423 4.33604276
C -1.81757518 -0.85810133 -1.30471961
C -3.22297076 -0.82553647 -1.19417545
C -1.40055452 -1.74169138 -2.32821958
C -4.10784683 -1.57770917 -1.98227004
C -2.24632291 -2.47467747 -3.13210009
H -0.34228280 -1.86076258 -2.51170445
C -3.62337552 -2.40731842 -2.96305259
H -1.83370250 -3.12037275 -3.89747779
H -4.29340454 -2.99341132 -3.57652249
C -0.50647216 -1.98845587 0.82224663
C -1.70480067 -2.40787174 1.43608436
C 0.47261627 -2.99799875 0.80820621
C -1.90837126 -3.66003774 1.97284229
H -2.51837643 -1.69459126 1.50828994
C 0.28982887 -4.28606588 1.33142637
C -0.90573916 -4.62254012 1.91992932
H -2.85426771 -3.90286622 2.44158564
H -1.06174527 -5.61080398 2.32920770
C 1.14646898 -0.52726551 -1.36916024
C 2.16214610 -1.49247157 -1.21644765
C 1.25359233 0.17661521 -2.59243669
C 3.19866139 -1.70718630 -2.13551312
C 2.24390398 -0.04036007 -3.52654974
H 0.48446764 0.89473873 -2.84371138
C 3.25282487 -0.96749146 -3.29256387
H 2.23751001 0.51356907 -4.45647024
H 4.04165717 -1.12508747 -4.01459926
C -0.40336592 1.88292348 -0.75190821
C -1.60199141 2.36078631 -1.31559330
C 0.63034278 2.83593283 -0.79821265
C -1.76702434 3.61529591 -1.85795693
H -2.45137090 1.68612946 -1.34387811
C 0.49070433 4.12779058 -1.32444422
C -0.71262187 4.52311643 -1.85914982
H -2.72053786 3.90046178 -2.28422404
H -0.83488064 5.51481175 -2.27153983
C 1.25528684 0.32308233 1.33707031
C 2.32047910 1.22236546 1.12803977
C 1.39789056 -0.40392090 2.54413176
C 3.42329742 1.36144149 1.98306065
C 2.45466499 -0.25902377 3.41735752
H 0.60379141 -1.07778918 2.83701594
C 3.50151832 0.60943294 3.13047051
H 2.47141020 -0.82400735 4.34046097
H 4.34024038 0.71197221 3.80453801
H -5.03326108 1.23374251 2.31300716
H -5.17659530 -1.52467132 -1.80152167
H 1.08515295 -5.02086721 1.26136691
H 3.94245909 -2.47456173 -1.94588022
H 1.32689289 4.81883048 -1.29996104
H 4.20112448 2.08239445 1.75188954
P -4.05465598 0.22998241 -0.01276201
P 2.25980911 2.44616463 -0.17780090
P 2.08770265 -2.70942290 0.09597332
C -4.79536895 1.69389902 -0.82325288
C -5.42296980 1.54844934 -2.05685771
C -4.73591067 2.94940894 -0.22713319
C -6.00256976 2.64195895 -2.67363657
H -5.44658985 0.58172782 -2.53853234
C -5.32126350 4.03836171 -0.84718409
H -4.21904208 3.07281583 0.71347706
C -5.95991313 3.88711117 -2.06721051
H -6.48756064 2.52302096 -3.63164734
H -5.27216279 5.01038907 -0.37830391
H -6.41480613 4.73963762 -2.54987401
C -5.52200118 -0.67073361 0.58223518
C -6.75361272 -0.04220748 0.73377774
C -5.38527763 -2.00995750 0.93688801
C -7.83317311 -0.74600082 1.23796995
H -6.87032559 0.99561493 0.45086045
C -6.46677802 -2.70751865 1.44038591
H -4.43249543 -2.50065693 0.79894470
C -7.69133525 -2.07659499 1.59450969
H -8.78777439 -0.25320009 1.35196737
H -6.35659352 -3.74722881 1.71159627
H -8.53586208 -2.62273528 1.98806748
C 2.84608170 3.98018397 0.60187563
C 2.06665208 4.46175732 1.65120569
C 3.99478156 4.66041878 0.22066346
C 2.43526809 5.61656827 2.31191510
H 1.17344140 3.91809249 1.93106728
C 4.35867717 5.81872477 0.88714209
H 4.60091536 4.28761151 -0.59403633
C 3.58287727 6.29622655 1.92971078
H 1.83085433 5.99066963 3.12491376
H 5.25166127 6.34943623 0.59016040
H 3.87197916 7.19976353 2.44577138
C 3.46999080 2.15401484 -1.50202431
C 4.57880574 1.35289092 -1.26313806
C 3.32339906 2.78902383 -2.73077252
C 5.53676418 1.18781703 -2.24718157
H 4.68308748 0.86785662 -0.30367201
C 4.28869086 2.62779800 -3.70677445
H 2.44830189 3.39465829 -2.91836471
C 5.39566656 1.82903801 -3.46645195
H 6.39703649 0.56052495 -2.06261872
H 4.17758166 3.12335410 -4.66031763
H 6.14654188 1.70325367 -4.23261604
C 3.39563527 -2.50378299 1.34105898
C 4.52776660 -1.76051439 1.03445506
C 3.29964730 -3.14992922 2.56890688
C 5.55948310 -1.66334594 1.95055185
H 4.59021215 -1.26646696 0.07602089
C 4.33753033 -3.05591542 3.47697538
H 2.40822208 -3.71095837 2.81046576
C 5.46772321 -2.31484903 3.16902481
H 6.43837231 -1.08103128 1.71363071
H 4.26568895 -3.55925228 4.43020469
H 6.27560142 -2.24191013 3.88225894
C 2.52510869 -4.27694709 -0.71580550
C 1.63996572 -4.72160406 -1.69520730
C 3.66631756 -5.01299298 -0.42613268
C 1.89549606 -5.89512347 -2.37625831
H 0.75348248 -4.13667011 -1.90383166
C 3.91673243 -6.18958870 -1.11248218
H 4.35511963 -4.66978467 0.33414479
C 3.03527814 -6.63034617 -2.08489469
H 1.20840874 -6.24087553 -3.13427208
H 4.80368100 -6.76324314 -0.88557217
H 3.23562741 -7.54871265 -2.61677063
130
conf 14  E=-192.86491716 Eh  dE=0.010 kcal/mol  pop=1.25%
Ir 0.21545500 -0.27341506 0.02534913
C -0.86442752 0.90558710 1.38494587
C -0.25907552 1.39912437 2.56635943
C -2.18848863 1.36496386 1.23302508
C -0.88190276 2.23778718 3.46575925
H 0.73666498 1.05788280 2.81648269
C -2.83063062 2.24588332 2.11518366
C -2.17293730 2.69823162 3.23364429
H -0.36402920 2.54072711 4.36668286
H -2.65713637 3.37062795 3.92771862
C -1.44966872 -1.31696092 -0.67636181
C -2.79833659 -0.91612653 -0.66135838
C -1.27309820 -2.59404005 -1.24237999
C -3.85992426 -1.69962884 -1.13475683
C -2.29082547 -3.38042017 -1.73338196
H -0.26083844 -2.97854226 -1.31595086
C -3.60894870 -2.93869391 -1.67516551
H -2.06824885 -4.34809405 -2.16517659
H -4.41680234 -3.55334345 -2.04680109
C 0.29307891 -1.86808303 1.45657768
C -0.46082298 -1.79017147 2.65033623
C 0.99124747 -3.08931232 1.37086413
C -0.46087206 -2.74264226 3.64757220
H -1.08420717 -0.92360116 2.81533770
C 1.02715894 -4.06797572 2.37579924
C 0.31004574 -3.89239580 3.53407528
H -1.06215221 -2.58873942 4.53480380
H 0.33666047 -4.63127580 4.32281862
C 1.60169988 -1.12178246 -1.37551695
C 2.30018915 -2.34422730 -1.29950017
C 2.09807754 -0.30765363 -2.42119063
C 3.36227286 -2.71522451 -2.13888408
C 3.12301240 -0.65471326 -3.27415948
H 1.64971564 0.66231464 -2.58111356
C 3.77902862 -1.87145472 -3.13831647
H 3.42987312 0.03300931 -4.05256383
H 4.59658178 -2.14381707 -3.79113412
C -0.20540948 1.24834104 -1.35472437
C -0.91651680 0.97787182 -2.54824681
C 0.11273389 2.61466645 -1.21919559
C -1.27293122 1.93746495 -3.47164631
H -1.15266358 -0.05063205 -2.78664135
C -0.27071045 3.61310053 -2.12549245
C -0.98137123 3.27892379 -3.25338515
H -1.78356911 1.64641568 -4.38061290
H -1.27768489 4.03591797 -3.96578485
C 1.99710564 0.57814942 0.73827689
C 2.36127596 1.93618794 0.70693451
C 2.99667740 -0.23526801 1.31115966
C 3.58307538 2.43969834 1.17618149
C 4.19794383 0.23239502 1.79664046
H 2.80476406 -1.29934038 1.39310431
C 4.50873183 1.58629393 1.72724116
H 4.91015948 -0.45495208 2.23679627
H 5.45432340 1.95915221 2.09522319
H -3.85604301 2.54899942 1.92817537
H -4.87929089 -1.33423693 -1.06495972
H 1.62756886 -4.96142626 2.23892906
H 3.87421278 -3.65929553 -1.98355493
H 0.01635764 4.64508219 -1.95019463
H 3.80389653 3.49889135 1.09365192
P -3.26655583 0.68693056 -0.02593803
P 1.25605742 3.17467959 0.04095212
P 1.88045926 -3.60125356 -0.09721194
C -3.68743332 1.87323215 -1.33717529
C -3.55310758 3.23609366 -1.10734116
C -4.21173551 1.42013406 -2.54318118
C -3.94121986 4.14181412 -2.07816014
H -3.14790804 3.57537815 -0.16527887
C -4.60588754 2.33016679 -3.50587411
H -4.29536350 0.35795801 -2.72399940
C -4.47235834 3.69037445 -3.27468060
H -3.83224228 5.20218197 -1.90089398
H -5.01564572 1.97964272 -4.44204298
H -4.77866069 4.39846373 -4.03065553
C -4.85215867 0.41569191 0.82128158
C -4.82867517 -0.49655506 1.87380781
C -6.03627871 1.05847569 0.48569943
C -5.98296855 -0.76382598 2.58255054
H -3.89586378 -0.98845143 2.11816495
C -7.19093939 0.78562837 1.20026649
H -6.05648356 1.76741537 -0.33112431
C -7.16597625 -0.12206768 2.24546719
H -5.96515371 -1.47192611 3.39777066
H -8.11298772 1.28428924 0.93861146
H -8.06972941 -0.33071091 2.79869057
C 0.47090449 4.19776484 1.32153953
C -0.75504123 4.79916665 1.06892959
C 1.12949932 4.43983803 2.52246181
C -1.31947822 5.63950022 2.01152736
H -1.25509263 4.60478276 0.13143383
C 0.56441071 5.28705371 3.45696634
H 2.07342476 3.95314286 2.72228399
C -0.65828490 5.88846345 3.20254915
H -2.27545325 6.10403332 1.81642414
H 1.07629668 5.47821092 4.38897421
H -1.09762416 6.54843310 3.93609513
C 2.34308906 4.34664745 -0.82632810
C 3.12779912 3.80723140 -1.84311779
C 2.41227638 5.70392418 -0.54219167
C 3.97583145 4.62112308 -2.56732558
H 3.06366652 2.74612206 -2.04672234
C 3.26560470 6.51494219 -1.27190055
H 1.80409947 6.12488262 0.24721013
C 4.04509536 5.97698150 -2.28170642
H 4.58524663 4.20239841 -3.35443537
H 3.32119515 7.57078556 -1.04967814
H 4.70867118 6.61449444 -2.84707989
C 3.43718486 -4.39138891 0.42401826
C 4.53191829 -3.58267520 0.71686295
C 3.54189036 -5.77022469 0.57498707
C 5.71335122 -4.14814396 1.15744065
H 4.45393416 -2.51367447 0.57956543
C 4.72761357 -6.33074489 1.01641691
H 2.69880117 -6.40625761 0.33948368
C 5.81280185 -5.52229221 1.31029830
H 6.56108327 -3.51676379 1.37977471
H 4.80387469 -7.40245252 1.12971476
H 6.73670998 -5.96335251 1.65402444
C 0.97490697 -4.99292321 -0.86622833
C -0.10592238 -5.58771979 -0.22295156
C 1.37269121 -5.46011569 -2.11557440
C -0.76079038 -6.65386171 -0.81243193
H -0.43952296 -5.20542819 0.73095329
C 0.71095670 -6.52342094 -2.70175235
H 2.19185949 -4.98289275 -2.63358712
C -0.35145393 -7.12757247 -2.04846387
H -1.59818839 -7.11236475 -0.30658995
H 1.02383159 -6.88088705 -3.67213201
H -0.86528033 -7.95976119 -2.50690055
130
conf 15  E=-192.86491654 Eh  dE=0.010 kcal/mol  pop=1.25%
Ir 0.19103030 -0.30316190 0.02743039
C -0.95174307 0.91636313 1.29755617
C -0.40749533 1.43258070 2.49884304
C -2.26405611 1.37545156 1.06711111
C -1.07322410 2.29228713 3.34605272
H 0.57054093 1.09121616 2.81061182
C -2.94849003 2.27643249 1.89546424
C -2.34816647 2.75175201 3.03647347
H -0.60218669 2.61265776 4.26641242
H -2.86519304 3.44074236 3.68936895
C -1.43473228 -1.34143623 -0.76837666
C -2.78125754 -0.93806549 -0.82386084
C -1.23094369 -2.62020777 -1.32288212
C -3.81957425 -1.72146934 -1.34659826
C -2.22455633 -3.40482191 -1.86378036
H -0.21747359 -3.00793172 -1.34385112
C -3.54360392 -2.96218093 -1.87076075
H -1.98225577 -4.37308243 -2.28348484
H -4.33264078 -3.57703954 -2.28047501
C 0.12568814 -1.87183112 1.48483744
C -0.73478231 -1.76647261 2.60238662
C 0.79709509 -3.11041811 1.47033085
C -0.85890078 -2.71494018 3.59539510
H -1.34402046 -0.88076696 2.70742346
C 0.70676343 -4.08632949 2.47445278
C -0.11602123 -3.88792370 3.55616048
H -1.53753225 -2.54016860 4.42089293
H -0.18922119 -4.62587030 4.34276687
C 1.66077747 -1.19770455 -1.25185470
C 2.35865374 -2.41064308 -1.07575923
C 2.23177325 -0.41784782 -2.28538290
C 3.49546291 -2.79477677 -1.80345112
C 3.33129010 -0.78073433 -3.03254384
H 1.78253906 0.53544963 -2.52440535
C 3.99105014 -1.97879397 -2.79016846
H 3.69418871 -0.11954628 -3.80983767
H 4.86900872 -2.25979267 -3.35502656
C -0.11741784 1.20095665 -1.40360346
C -0.77359106 0.92463332 -2.62708642
C 0.21394144 2.56431791 -1.27141246
C -1.07297259 1.87689159 -3.57791330
H -1.01250575 -0.10351247 -2.86416989
C -0.11037474 3.55600543 -2.20770140
C -0.77251359 3.21706972 -3.36331164
H -1.54529238 1.58099881 -4.50587131
H -1.02452541 3.96845280 -4.09838647
C 1.93493291 0.53453303 0.84156928
C 2.33596339 1.88161403 0.79262254
C 2.87198069 -0.28400136 1.50545108
C 3.53950563 2.36917299 1.32170989
C 4.05185367 0.16936340 2.05295566
H 2.64344312 -1.33891966 1.61112156
C 4.40492366 1.51125162 1.95730309
H 4.71396404 -0.51939396 2.56353864
H 5.33584437 1.87171212 2.37205508
H -3.96166090 2.57788656 1.64875863
H -4.84063982 -1.35455633 -1.32785387
H 1.29200703 -4.99663200 2.39766766
H 4.00202465 -3.72565661 -1.57030279
H 0.18334652 4.58598736 -2.03140577
H 3.79439314 3.41890586 1.21946114
P -3.27712427 0.67340247 -0.23189843
P 1.29680046 3.12712187 0.03929462
P 1.82167627 -3.64586572 0.10228287
C -3.61980504 1.84203439 -1.58079160
C -3.47217354 3.20651235 -1.36839785
C -4.08942989 1.37611964 -2.80425809
C -3.79429569 4.10089767 -2.37302941
H -3.10749297 3.55599174 -0.41360274
C -4.41730097 2.27522757 -3.80152801
H -4.18244286 0.31253755 -2.97147646
C -4.27181887 3.63688656 -3.58725710
H -3.67510036 5.16221302 -2.20874568
H -4.78457931 1.91473804 -4.75142503
H -4.52645527 4.33622085 -4.37002676
C -4.90124331 0.41828902 0.54308326
C -4.93146221 -0.48682147 1.60153362
C -6.06187553 1.07526644 0.15707015
C -6.11613841 -0.73212388 2.26678722
H -4.01615103 -0.99024146 1.88540817
C -7.24708623 0.82452285 0.82837307
H -6.03900053 1.77836622 -0.66476111
C -7.27546673 -0.07520091 1.88037796
H -6.14023809 -1.43402334 3.08715175
H -8.15088076 1.33482516 0.52844725
H -8.20243048 -0.26552756 2.40084304
C 0.45580381 4.18131164 1.25761231
C -0.75585546 4.77860168 0.93604328
C 1.05837196 4.44728792 2.48273887
C -1.36185164 5.63846389 1.83414912
H -1.21268698 4.56441176 -0.01899073
C 0.45173443 5.31331446 3.37280380
H 1.99136868 3.96442367 2.73602211
C -0.75667687 5.91059686 3.04958153
H -2.30693194 6.09961171 1.58555238
H 0.91992582 5.52283799 4.32362263
H -1.22864362 6.58521536 3.74872802
C 2.45015015 4.26702572 -0.78310762
C 3.28136578 3.69953383 -1.74621211
C 2.52401095 5.62775772 -0.51694452
C 4.18080026 4.48923613 -2.43442076
H 3.21170174 2.63633190 -1.93677838
C 3.42893280 6.41427128 -1.21027520
H 1.87906980 6.07021999 0.23039044
C 4.25509497 5.84842072 -2.16636081
H 4.82641159 4.04916773 -3.17991217
H 3.48816445 7.47272899 -1.00186675
H 4.95891411 6.46682702 -2.70357331
C 3.30730234 -4.44754580 0.78710992
C 3.36579134 -5.82334216 0.98534081
C 4.38274943 -3.65197408 1.17188757
C 4.48447811 -6.39281165 1.56744029
H 2.53950978 -6.45057448 0.67784688
C 5.49747480 -4.22642437 1.75282967
H 4.34369638 -2.58650278 0.99704449
C 5.54897304 -5.59661742 1.95538951
H 4.52422209 -7.46186996 1.71818150
H 6.33032131 -3.60495889 2.04764609
H 6.41975026 -6.04437431 2.41105212
C 0.98276250 -5.03785418 -0.73739132
C -0.18361496 -5.59236112 -0.22081199
C 1.52510238 -5.55025078 -1.91225063
C -0.78249345 -6.66309035 -0.85971313
H -0.62593248 -5.17568050 0.67240054
C 0.91924959 -6.61780977 -2.54875934
H 2.41553558 -5.10603562 -2.33265908
C -0.23084216 -7.18140713 -2.01994684
H -1.68707023 -7.09049165 -0.45219912
H 1.34497247 -7.01100578 -3.46045145
H -0.70083755 -8.01744663 -2.51680115
130
conf 16  E=-192.86491270 Eh  dE=0.012 kcal/mol  pop=1.24%
Ir 0.13666736 0.31951752 -0.13857792
C -1.29962657 1.59606547 0.67706405
C -0.90337348 2.85913262 1.15712705
C -2.68311626 1.37941485 0.81195202
C -1.75620528 3.79424286 1.69889483
H 0.15237945 3.10653244 1.11643570
C -3.58172887 2.31675141 1.34004538
C -3.11980136 3.53229303 1.78670046
H -1.36778013 4.73932972 2.05695869
H -3.79989493 4.26500775 2.19789326
C -1.22211054 -0.77369847 -1.30839463
C -2.56997701 -1.04601599 -0.99867593
C -0.81218471 -1.40225099 -2.50964731
C -3.40834105 -1.87625733 -1.75648466
C -1.62728821 -2.19577086 -3.28830705
H 0.18636721 -1.20878193 -2.87825070
C -2.93488897 -2.46784369 -2.90283424
H -1.24902292 -2.61103947 -4.21353836
H -3.57114162 -3.10338728 -3.50247019
C -0.30688289 -1.07890651 1.35993608
C -0.85178302 -0.67440841 2.60195116
C -0.17162921 -2.47850071 1.26552331
C -1.22528554 -1.54463955 3.60384017
H -0.93731260 0.38425911 2.80787209
C -0.57755830 -3.38457458 2.25517754
C -1.12338797 -2.91969420 3.42765975
H -1.60179667 -1.15635986 4.54148897
H -1.43538691 -3.60480898 4.20333566
C 1.71273445 -0.77520604 -0.98913340
C 1.91868973 -2.16449302 -0.91732903
C 2.72895493 -0.11567802 -1.71121632
C 3.01392799 -2.83305714 -1.48291797
C 3.80561710 -0.74710142 -2.29380695
H 2.65238887 0.95879741 -1.83505089
C 3.96391107 -2.12409372 -2.17841018
H 4.53788912 -0.17200521 -2.84738123
H 4.81278575 -2.62500600 -2.62233302
C 0.24052759 1.83085539 -1.65450961
C -0.64332930 1.79327717 -2.75763474
C 1.07506418 2.96534705 -1.70488626
C -0.65011245 2.70176272 -3.79507008
H -1.37118320 0.99716944 -2.81300034
C 1.10682465 3.89437520 -2.75599264
C 0.24938892 3.75969997 -3.82066203
H -1.35898415 2.58416574 -4.60509376
H 0.26900430 4.46080851 -4.64334055
C 1.76423091 1.04461048 1.05486022
C 2.58978357 2.16687353 0.83739743
C 2.27857405 0.21536042 2.07970049
C 3.78050878 2.43344776 1.53105626
C 3.43243855 0.46263729 2.79118458
H 1.73713920 -0.68258079 2.34111450
C 4.20938187 1.58129749 2.51832972
H 3.74473712 -0.22819344 3.56463286
H 5.12600223 1.77307173 3.05857580
H -4.64151288 2.08843687 1.38634420
H -4.43875168 -2.02989390 -1.45151508
H -0.43674067 -4.45047586 2.10624181
H 3.11980673 -3.90608379 -1.36117013
H 1.81519073 4.71594766 -2.73009528
H 4.37900199 3.30063656 1.27141665
P -3.41456976 -0.17364147 0.31733795
P 2.18065912 3.42115273 -0.37143146
P 0.75781657 -3.22860864 -0.06933478
C -5.03236137 0.26557371 -0.38529599
C -5.00165423 1.10604329 -1.49579280
C -6.24765178 -0.18871398 0.10894152
C -6.17983628 1.48776436 -2.10588594
H -4.04386972 1.45152723 -1.86331993
C -7.42612414 0.19883445 -0.50698507
H -6.27276331 -0.84079002 0.97168885
C -7.39384973 1.03333105 -1.61127264
H -6.15653895 2.13925846 -2.96683329
H -8.37229760 -0.15314395 -0.12218639
H -8.31607587 1.33108511 -2.08791451
C -3.83716100 -1.23405849 1.73137702
C -4.16767243 -0.66217930 2.95540695
C -3.89741953 -2.61207268 1.57042002
C -4.56524219 -1.46863489 4.00511650
H -4.09885195 0.40900872 3.08087972
C -4.28779516 -3.41448280 2.62723586
H -3.64040740 -3.04384727 0.61418375
C -4.62711156 -2.84372787 3.84242117
H -4.82448965 -1.02548727 4.95560223
H -4.33039122 -4.48701109 2.50303513
H -4.93571718 -3.47087016 4.66589399
C 1.53995908 4.93895134 0.42474824
C 0.48034168 5.64840421 -0.13104304
C 2.11987160 5.38571407 1.60834229
C 0.02694547 6.80476790 0.47761591
H 0.00441954 5.28552893 -1.03043293
C 1.65874704 6.53973955 2.21465921
H 2.92261086 4.82192960 2.06084390
C 0.61713772 7.25578121 1.64694345
H -0.79560142 7.35168723 0.04024664
H 2.11178077 6.88051618 3.13424528
H 0.25946515 8.15791974 2.12122107
C 3.74658572 3.99613476 -1.10345337
C 4.69460339 3.04844729 -1.47924372
C 3.99570560 5.34534832 -1.33190960
C 5.87424433 3.44757834 -2.07811936
H 4.50618565 2.00283269 -1.28214697
C 5.17886620 5.73902755 -1.93212820
H 3.26825993 6.08864346 -1.03334471
C 6.11753128 4.79276176 -2.30779598
H 6.60834174 2.70875715 -2.36438776
H 5.36822003 6.78845647 -2.10543304
H 7.04013206 5.10380010 -2.77516828
C 1.79102010 -4.47995823 0.75134555
C 2.74484107 -3.98993553 1.64053691
C 1.66291810 -5.84853987 0.55567040
C 3.56457010 -4.86432127 2.32575509
H 2.83291844 -2.91975973 1.77636463
C 2.48885940 -6.72043853 1.24555600
H 0.92272818 -6.23100317 -0.13437432
C 3.43665244 -6.23156709 2.12843610
H 4.30502620 -4.48414905 3.01383272
H 2.39073217 -7.78538046 1.09217063
H 4.07765933 -6.91639841 2.66369013
C -0.27785543 -4.20677695 -1.19803589
C -1.54172564 -4.61702608 -0.79451770
C 0.21981476 -4.60439849 -2.43458426
C -2.30355710 -5.42246844 -1.62158765
H -1.91643061 -4.30159111 0.16812940
C -0.54315992 -5.41547328 -3.25340672
H 1.19525998 -4.26560589 -2.75310101
C -1.80330549 -5.82674750 -2.84791707
H -3.28860361 -5.73799769 -1.30885143
H -0.15667260 -5.72735414 -4.21287050
H -2.39711285 -6.45923293 -3.49139304
130
conf 17  E=-192.86490920 Eh  dE=0.015 kcal/mol  pop=1.24%
Ir -0.41189302 -0.01432230 0.04925911
C -1.76409590 0.82936863 1.48140910
C -1.26402015 1.51959931 2.60986744
C -3.17241088 0.86188102 1.44322016
C -2.04247300 2.09632768 3.59118253
H -0.19442715 1.60594253 2.73368055
C -3.99142240 1.42302272 2.43478167
C -3.42872302 2.03611105 3.52751399
H -1.56797714 2.59522338 4.42693433
H -4.04601825 2.46463032 4.30472537
C -1.90060618 -0.86954314 -1.23674381
C -3.30309747 -0.86115024 -1.09024001
C -1.49185091 -1.77715103 -2.24263220
C -4.19107798 -1.66222267 -1.82480870
C -2.34190892 -2.55823124 -2.99504778
H -0.43717036 -1.87622006 -2.45534052
C -3.71449118 -2.51802659 -2.78680444
H -1.93529925 -3.22042219 -3.74953716
H -4.38744808 -3.14346743 -3.35669047
C -0.55535000 -1.92941728 0.89648248
C -1.73338743 -2.32562972 1.56301169
C 0.41989504 -2.94245412 0.87964502
C -1.92104007 -3.55946301 2.14613498
H -2.54238914 -1.60785488 1.64125184
C 0.25075966 -4.21406865 1.44599652
C -0.92403486 -4.52733486 2.08689168
H -2.85012497 -3.78291539 2.65632107
H -1.06836509 -5.50204087 2.53152048
C 1.05369548 -0.51346029 -1.36647166
C 2.06372745 -1.48552994 -1.22313590
C 1.14072407 0.17335351 -2.60123157
C 3.07722275 -1.72294957 -2.16232105
C 2.10827099 -0.06503060 -3.55368995
H 0.37266355 0.89476674 -2.84590962
C 3.11316241 -0.99901034 -3.32992546
H 2.08697238 0.47704498 -4.49033950
H 3.88410903 -1.17387532 -4.06711417
C -0.49591029 1.90329017 -0.76922106
C -1.70654525 2.36284976 -1.32263043
C 0.52949549 2.86389472 -0.84261214
C -1.88919360 3.60922539 -1.87810717
H -2.55010360 1.67977773 -1.33138890
C 0.37105656 4.14818958 -1.38135602
C -0.84342902 4.52661118 -1.90311252
H -2.85033378 3.88116646 -2.29590470
H -0.98065546 5.51260982 -2.32444435
C 1.20801006 0.39266416 1.32090370
C 2.26933346 1.28525935 1.06910018
C 1.37996653 -0.31313981 2.53674151
C 3.39621909 1.43354912 1.89056695
C 2.46248180 -0.16071758 3.37625321
H 0.59099064 -0.97730810 2.86341577
C 3.50510507 0.69751396 3.04566152
H 2.50325737 -0.71135075 4.30727687
H 4.36375123 0.80512046 3.69330228
H -5.07084414 1.36642342 2.34014147
H -5.25534386 -1.62805621 -1.61615760
H 1.03993139 -4.95480293 1.36828121
H 3.81703187 -2.49575045 -1.97907896
H 1.20141761 4.84670205 -1.37674067
H 4.16929821 2.14830368 1.62636898
P -4.12577926 0.23062948 0.06412253
P 2.17406792 2.48911902 -0.25286872
P 2.01304648 -2.68159736 0.10940658
C -4.91145066 1.63940879 -0.79921486
C -4.84036238 2.92926669 -0.28306192
C -5.58809530 1.41414147 -1.99422633
C -5.46149415 3.97375677 -0.94367847
H -4.28695856 3.11320203 0.62637870
C -6.20336522 2.46331116 -2.65207824
H -5.62260361 0.41972191 -2.41456590
C -6.14784823 3.74339513 -2.12484476
H -5.40345592 4.97296510 -0.53712833
H -6.72634993 2.28188873 -3.57977783
H -6.63086062 4.56126602 -2.63916053
C -5.56451971 -0.66620672 0.73130106
C -5.40527754 -1.99348416 1.11984837
C -6.79713407 -0.04411699 0.90089230
C -6.46570090 -2.68589128 1.67293230
H -4.45240822 -2.47999752 0.96836900
C -7.85508587 -0.74228693 1.45601680
H -6.93216689 0.98372037 0.59082804
C -7.69114842 -2.06132153 1.84457663
H -6.33842362 -3.71693380 1.96872837
H -8.81053045 -0.25448679 1.58390416
H -8.51930784 -2.60351080 2.27653804
C 2.77892578 4.03429697 0.48954347
C 3.92607599 4.70034851 0.07943781
C 2.02139834 4.53609942 1.54543635
C 4.30985253 5.86500261 0.72331344
H 4.51561328 4.31133455 -0.73988542
C 2.40944904 5.69744183 2.18322697
H 1.12973805 4.00235032 1.84852233
C 3.55531238 6.36288518 1.77195917
H 5.20181038 6.38441474 0.40412490
H 1.82197308 6.08737546 3.00118961
H 3.86000099 7.27127679 2.27031841
C 3.35227988 2.17639855 -1.60081253
C 3.18431891 2.80472522 -2.83035020
C 4.45824201 1.36587581 -1.38070835
C 4.12538055 2.62672715 -3.82682283
H 2.31124126 3.41796264 -3.00240880
C 5.39229011 1.18512154 -2.38467624
H 4.57777908 0.88543630 -0.42064742
C 5.22980679 1.81904596 -3.60520617
H 3.99752140 3.11629266 -4.78143525
H 6.25076207 0.55110734 -2.21517193
H 5.96193206 1.68039025 -4.38712432
C 3.35900012 -2.45984774 1.31078216
C 4.48458417 -1.72676824 0.95793414
C 3.29308746 -3.07387268 2.55696994
C 5.53928104 -1.60893861 1.84488412
H 4.52491021 -1.25606024 -0.01340690
C 4.35360880 -2.95922008 3.43615009
H 2.40697495 -3.62580793 2.83580537
C 5.47687063 -2.22875082 3.08166351
H 6.41268474 -1.03474792 1.57083076
H 4.30433116 -3.43749367 4.40370626
H 6.30208810 -2.13882868 3.77279247
C 2.40453449 -4.26710287 -0.68973423
C 1.47249726 -4.72506837 -1.61825721
C 3.55435858 -5.00374093 -0.43863962
C 1.68991941 -5.91358707 -2.28648151
H 0.58029077 -4.13908243 -1.79746234
C 3.76638254 -6.19520756 -1.11227477
H 4.27909241 -4.64879581 0.28191730
C 2.83804730 -6.64997168 -2.03338681
H 0.96602332 -6.26996411 -3.00429980
H 4.65985442 -6.77003359 -0.91602646
H 3.00848149 -7.58048832 -2.55449519
130
conf 18  E=-192.86490709 Eh  dE=0.016 kcal/mol  pop=1.23%
Ir 0.17645246 -0.29798555 0.06820887
C -0.90711547 0.98985199 1.32436885
C -0.31166978 1.55336181 2.47959742
C -2.22617666 1.44605795 1.12976585
C -0.93996699 2.44795893 3.31922834
H 0.67924646 1.22356322 2.76197688
C -2.87393407 2.38154788 1.94963098
C -2.22653905 2.89809344 3.04599114
H -0.43011569 2.80344361 4.20535918
H -2.71545673 3.61245143 3.69326177
C -1.49200818 -1.35679351 -0.60645875
C -2.83438665 -0.93725183 -0.64040705
C -1.32404889 -2.66331064 -1.10379833
C -3.89876420 -1.72933655 -1.09266736
C -2.34393026 -3.45962074 -1.57440917
H -0.31685904 -3.06516475 -1.13916221
C -3.65627092 -2.99818063 -1.56354318
H -2.12743029 -4.45060450 -1.95304760
H -4.46614733 -3.62013215 -1.91817119
C 0.18363526 -1.79240010 1.60648445
C -0.58909736 -1.61318581 2.77726496
C 0.84158104 -3.03870383 1.61404448
C -0.64257617 -2.49965347 3.83219613
H -1.18498735 -0.71789094 2.87504545
C 0.82092052 -3.95324070 2.67821437
C 0.08704249 -3.68108653 3.80692449
H -1.25450843 -2.26809794 4.69498991
H 0.07083167 -4.36957061 4.64026194
C 1.57732830 -1.26923770 -1.23295404
C 2.24514814 -2.49858632 -1.05532151
C 2.12476191 -0.53476810 -2.31148410
C 3.32538472 -2.94462280 -1.83247331
C 3.16904056 -0.95723791 -3.10498265
H 1.70164941 0.43095709 -2.54871745
C 3.79342757 -2.17543947 -2.86881143
H 3.51574223 -0.32854368 -3.91585007
H 4.62581143 -2.50574403 -3.47449689
C -0.18738221 1.13306872 -1.42157899
C -0.87971785 0.79544811 -2.60892109
C 0.14357585 2.50204303 -1.36642521
C -1.21431028 1.69973225 -3.59417862
H -1.12139105 -0.24373668 -2.78793582
C -0.21565110 3.44611497 -2.33847684
C -0.91399882 3.04970628 -3.45377564
H -1.71414750 1.35765370 -4.49133634
H -1.19370817 3.76424386 -4.21512520
C 1.95778660 0.57080316 0.75651502
C 2.34923190 1.91632564 0.63581304
C 2.93150627 -0.21930296 1.40190820
C 3.57377908 2.42821620 1.08843670
C 4.13542740 0.25809407 1.87073500
H 2.71451416 -1.27040092 1.55675469
C 4.47457335 1.59758008 1.71084864
H 4.82781431 -0.40977304 2.36869367
H 5.42253993 1.97675049 2.06600025
H -3.89600106 2.67622370 1.73329349
H -4.91360750 -1.34657128 -1.06145436
H 1.39151185 -4.87369780 2.61089858
H 3.80982154 -3.88756222 -1.60024373
H 0.07932809 4.48424270 -2.22296811
H 3.81610923 3.47501388 0.93698762
P -3.29289473 0.70344245 -0.10163443
P 1.27430224 3.12638785 -0.12531163
P 1.75329779 -3.66774640 0.20687294
C -3.67671945 1.81976255 -1.48355060
C -4.17914791 1.30849537 -2.67541835
C -3.52819994 3.19138515 -1.32499868
C -4.53974773 2.17000709 -3.69441726
H -4.27276629 0.23933105 -2.80118065
C -3.88216739 4.04793870 -2.35176503
H -3.13872423 3.57633360 -0.39401300
C -4.39319648 3.53895291 -3.53387547
H -4.93318802 1.77416387 -4.61936238
H -3.76218890 5.11486310 -2.22986479
H -4.67339137 4.20877461 -4.33358135
C -4.89019806 0.49138930 0.73931602
C -4.88247829 -0.35537953 1.84539098
C -6.06757923 1.11512107 0.34930369
C -6.04638851 -0.57557292 2.55451708
H -3.95437946 -0.83400107 2.13067779
C -7.23199202 0.88925189 1.06449697
H -6.07419839 1.77231647 -0.50991076
C -7.22281354 0.04753230 2.16378485
H -6.04105769 -1.23236535 3.41174734
H -8.14928400 1.37274986 0.76118103
H -8.13398274 -0.12412817 2.71753612
C 0.48288100 4.23721220 1.07611211
C -0.73285594 4.83323569 0.76771843
C 1.12768298 4.54978530 2.26812727
C -1.30172225 5.73727299 1.64655338
H -1.22159987 4.58416572 -0.16277666
C 0.55795673 5.45961186 3.13882399
H 2.06417591 4.06881457 2.51215230
C -0.65505700 6.05478949 2.82918684
H -2.24964844 6.19804977 1.40802588
H 1.05838243 5.70465999 4.06439445
H -1.09802709 6.76373050 3.51319680
C 2.38729656 4.23209841 -1.04541964
C 3.19031059 3.62488308 -2.00814405
C 2.45292920 5.60577800 -0.85356495
C 4.05343571 4.38773500 -2.76933305
H 3.12847341 2.55254328 -2.14116811
C 3.32080685 6.36542192 -1.62026536
H 1.83005653 6.07984976 -0.10692287
C 4.11902053 5.75990783 -2.57575188
H 4.67736944 3.91666026 -3.51434988
H 3.37274489 7.43402890 -1.46975850
H 4.79404068 6.35734248 -3.17054553
C 3.26620638 -4.46992027 0.82888557
C 4.36901081 -3.67450571 1.12696911
C 3.32537825 -5.84048508 1.05919192
C 5.51317795 -4.24431927 1.65234888
H 4.32658935 -2.61317863 0.92840147
C 4.47398750 -6.40552299 1.58490515
H 2.47599833 -6.46704704 0.82114003
C 5.56684379 -5.60973823 1.88501014
H 6.36713383 -3.62328682 1.87986466
H 4.51486972 -7.47078592 1.76033761
H 6.46110744 -6.05413510 2.29630690
C 0.82911092 -5.07744160 -0.50429423
C -0.28544956 -5.60389855 0.14021258
C 1.24838694 -5.62772260 -1.71189815
C -0.95415671 -6.68439737 -0.40627471
H -0.63422032 -5.15759270 1.06018162
C 0.57288479 -6.70489085 -2.25535219
H 2.09560352 -5.20374068 -2.23108974
C -0.52464006 -7.24016193 -1.60035121
H -1.81848856 -7.08949224 0.09950519
H 0.90231174 -7.12694184 -3.19363551
H -1.05004947 -8.08270942 -2.02556779
130
conf 19  E=-192.86490429 Eh  dE=0.018 kcal/mol  pop=1.23%
Ir -0.35085120 -0.04547545 0.02020399
C -1.68635146 0.79795570 1.46551382
C -1.17235775 1.47002022 2.59905628
C -3.09373945 0.85109383 1.43333599
C -1.93829010 2.04515458 3.59070704
H -0.10144311 1.54320002 2.71870288
C -3.90061160 1.41453409 2.43350467
C -3.32552723 2.00519758 3.53188124
H -1.45289842 2.52841550 4.42938117
H -3.93351242 2.43418484 4.31604264
C -1.85080033 -0.82945187 -1.29401991
C -3.25332871 -0.79988177 -1.14870238
C -1.45625613 -1.70303774 -2.33482546
C -4.15397382 -1.55531708 -1.91498442
C -2.31927150 -2.43752264 -3.11875190
H -0.40262910 -1.81118379 -2.54922305
C -3.69119971 -2.38112932 -2.90925800
H -1.92444578 -3.07618392 -3.89924919
H -4.37417791 -2.97194903 -3.50362157
C -0.53732503 -1.97984931 0.81359842
C -1.73353028 -2.37371579 1.44827527
C 0.41598569 -3.01299623 0.77340345
C -1.95719836 -3.62417888 1.98105271
H -2.52658541 -1.64002652 1.54392502
C 0.20948317 -4.30155589 1.28652559
C -0.98204399 -4.61235884 1.89691132
H -2.89755191 -3.84528427 2.47116769
H -1.15534616 -5.59999535 2.30078873
C 1.12779336 -0.53805640 -1.38670927
C 2.13022716 -1.51792797 -1.23959876
C 1.25240369 0.17802705 -2.60149959
C 3.17001422 -1.73560168 -2.15438062
C 2.24649942 -0.04028568 -3.53138792
H 0.49441986 0.90883517 -2.85005831
C 3.24190156 -0.98318955 -3.30216228
H 2.25389204 0.52539273 -4.45427147
H 4.03352256 -1.14260396 -4.02073765
C -0.40108577 1.88798145 -0.76583081
C -1.59575257 2.36963773 -1.33635400
C 0.63472739 2.83904942 -0.80197654
C -1.75234259 3.62579369 -1.87788000
H -2.44791190 1.69851380 -1.37264756
C 0.50138654 4.13322350 -1.32387492
C -0.69690912 4.53214364 -1.86712290
H -2.70119276 3.91396839 -2.31265677
H -0.81463948 5.52555472 -2.27672471
C 1.26045320 0.30448321 1.32027081
C 2.32387647 1.20670056 1.11804362
C 1.41008990 -0.43929957 2.51609784
C 3.43238265 1.33350484 1.96745355
C 2.47320846 -0.30805490 3.38377025
H 0.61678004 -1.11525815 2.80600149
C 3.51905602 0.56332835 3.10219963
H 2.49572242 -0.88660564 4.29826661
H 4.36296980 0.65450963 3.77137933
H -4.98071724 1.38082451 2.33902116
H -5.21755870 -1.51143473 -1.70551820
H 0.98333566 -5.05631343 1.19196090
H 3.90254595 -2.51472568 -1.96821110
H 1.33790060 4.82345142 -1.28905551
H 4.20835761 2.05816154 1.74126574
P -4.06045674 0.26316824 0.04476290
P 2.26090870 2.44289788 -0.17553252
P 2.03282278 -2.75097006 0.05568126
C -4.83245783 1.71268505 -0.76101399
C -4.64673348 2.99612756 -0.25802690
C -5.61460198 1.52774920 -1.89724702
C -5.25541866 4.07540020 -0.87277844
H -4.01601492 3.14727555 0.60587458
C -6.21702291 2.61099638 -2.50993987
H -5.74625630 0.53664105 -2.30582931
C -6.04410326 3.88593487 -1.99564213
H -5.10789583 5.06921532 -0.47591638
H -6.82308408 2.46043731 -3.39141915
H -6.51765057 4.73058726 -2.47421816
C -5.50618231 -0.63522526 0.69404892
C -5.37088633 -1.98271777 1.01619636
C -6.71846039 0.00714688 0.92526259
C -6.43340982 -2.67449806 1.56622919
H -4.43523043 -2.48487742 0.81663696
C -7.77855647 -0.69051027 1.47666596
H -6.83709096 1.05086668 0.66558875
C -7.63752771 -2.02946941 1.80081990
H -6.32397154 -3.72082377 1.81113042
H -8.71770009 -0.18639376 1.65295119
H -8.46692710 -2.57074016 2.23150083
C 2.84303402 3.97237985 0.61538100
C 2.04947357 4.45657995 1.65281819
C 4.00073325 4.64739488 0.25259531
C 2.41180538 5.61047555 2.31868741
H 1.14980819 3.91650022 1.91881514
C 4.35840598 5.80460316 0.92429809
H 4.61778674 4.27136418 -0.55246374
C 3.56743149 6.28588338 1.95373271
H 1.79595727 5.98740958 3.12174437
H 5.25790928 6.33193829 0.64146338
H 3.85105800 7.18941713 2.47290652
C 3.47475732 2.14591182 -1.49462077
C 4.55504410 1.30446844 -1.26340324
C 3.35723697 2.80724171 -2.71265219
C 5.51497901 1.12757177 -2.24328913
H 4.63425441 0.79609615 -0.31365529
C 4.32376992 2.63231370 -3.68504290
H 2.50347467 3.44398352 -2.89554087
C 5.40344164 1.79502019 -3.45144440
H 6.35311954 0.46945674 -2.06442442
H 4.23513240 3.14753700 -4.63046772
H 6.15545008 1.65909191 -4.21475461
C 3.34081250 -2.58848981 1.30759541
C 3.22162650 -3.24829167 2.52639637
C 4.48911434 -1.86161507 1.02201942
C 4.25113919 -3.18429433 3.44625116
H 2.31795555 -3.79610180 2.75206412
C 5.51293876 -1.79505512 1.94980349
H 4.57104881 -1.35443981 0.07186401
C 5.39731044 -2.45949907 3.15930794
H 4.16016309 -3.69865490 4.39195003
H 6.40403565 -1.22505764 1.72934000
H 6.19866039 -2.40969143 3.88182413
C 2.43521420 -4.31577385 -0.77864519
C 3.55409088 -5.08664991 -0.49267061
C 1.54520659 -4.72105014 -1.77064902
C 3.77733693 -6.25902389 -1.19545076
H 4.24620236 -4.77338591 0.27747363
C 1.77398255 -5.89033050 -2.46830473
H 0.67653036 -4.10896187 -1.97629353
C 2.89132766 -6.66068862 -2.18060494
H 4.64662311 -6.86029222 -0.97162785
H 1.08330853 -6.20536980 -3.23640147
H 3.07072221 -7.57596918 -2.72510672
130
conf 20  E=-192.86487619 Eh  dE=0.035 kcal/mol  pop=1.19%
Ir 0.25336250 0.30324363 -0.06061006
C -1.20523671 1.52024592 0.80369711
C -0.83631048 2.77611962 1.32398815
C -2.57835712 1.25621967 0.95632710
C -1.70519242 3.65963204 1.92404392
H 0.20974862 3.05948185 1.27052967
C -3.49363600 2.14437881 1.53818455
C -3.05809328 3.35274413 2.02842736
H -1.33746951 4.59993560 2.31516496
H -3.75042918 4.04603505 2.48497821
C -1.08247879 -0.81501532 -1.23145871
C -2.42313830 -1.12039680 -0.92338811
C -0.66456658 -1.40750617 -2.44820952
C -3.24868805 -1.94788478 -1.69832019
C -1.46766393 -2.19648491 -3.24340210
H 0.32862735 -1.18595046 -2.81529755
C -2.76847529 -2.50236118 -2.86021001
H -1.08564778 -2.58128002 -4.18012088
H -3.39488601 -3.13490199 -3.47321906
C -0.12924667 -1.12430092 1.42951814
C -0.67800964 -0.75132607 2.67984198
C 0.03233361 -2.51948387 1.31230132
C -1.04014727 -1.64550260 3.66462759
H -0.77755046 0.30158470 2.90699832
C -0.35679741 -3.44983481 2.28593569
C -0.91455471 -3.01540155 3.46451642
H -1.42475230 -1.28001329 4.60815871
H -1.21746120 -3.71913701 4.22701971
C 1.85186466 -0.73581124 -0.93736603
C 2.10956805 -2.11668372 -0.86580935
C 2.83772428 -0.03908655 -1.66637420
C 3.22894645 -2.74338470 -1.43181069
C 3.93796242 -0.62953930 -2.24801440
H 2.71606115 1.03099525 -1.79494748
C 4.15139841 -1.99863534 -2.12709639
H 4.64625675 -0.02845671 -2.80520746
H 5.01992915 -2.46662834 -2.56894111
C 0.26483272 1.83449222 -1.56036720
C -0.65946445 1.78840995 -2.63021972
C 1.05528004 2.99944403 -1.61764536
C -0.73898380 2.71710289 -3.64616284
H -1.36023581 0.96803662 -2.67707364
C 1.00874095 3.95405929 -2.64509057
C 0.11721835 3.81027506 -3.67983403
H -1.47308929 2.58931619 -4.43186541
H 0.07744168 4.53061927 -4.48490802
C 1.87911119 1.07349591 1.10458003
C 2.67588385 2.21203498 0.86361846
C 2.43477082 0.25779766 2.11850573
C 3.88176461 2.50030684 1.52085329
C 3.60428200 0.52732658 2.79556212
H 1.91408911 -0.64685982 2.39888756
C 4.35508083 1.65675503 2.49507847
H 3.95026801 -0.15424777 3.56282606
H 5.28521635 1.86405589 3.00567287
H -4.54575891 1.88428862 1.59163029
H -4.27489461 -2.12810807 -1.39393398
H -0.19537325 -4.51015919 2.11917374
H 3.37435377 -3.81191008 -1.31132926
H 1.68137940 4.80490902 -2.62327174
H 4.45780190 3.37653294 1.24199369
P -3.27898344 -0.29672611 0.41640413
P 2.19782298 3.46663299 -0.31999323
P 0.97735307 -3.22482851 -0.03567832
C -4.90315907 0.13820103 -0.27354920
C -4.88675176 1.04272359 -1.33279395
C -6.10889864 -0.37901781 0.18037057
C -6.07031285 1.42856946 -1.92971846
H -3.93601798 1.43518833 -1.67039461
C -7.29274191 0.01213890 -0.42283712
H -6.12224670 -1.08227617 1.00229156
C -7.27507968 0.91300534 -1.47405441
H -6.05824851 2.13129447 -2.74963034
H -8.23174687 -0.38858357 -0.06948327
H -8.20164561 1.21483055 -1.93958553
C -3.67730387 -1.40967376 1.79719400
C -3.69391054 -2.78365067 1.59512696
C -4.02664191 -0.88621970 3.03754469
C -4.06094479 -3.62959264 2.62606544
H -3.42133800 -3.17858022 0.62745548
C -4.40117387 -1.73604973 4.06122734
H -3.99105106 0.18198821 3.19660638
C -4.42024847 -3.10682658 3.85702484
H -4.06950571 -4.69866533 2.46925074
H -4.67627190 -1.33026261 5.02398288
H -4.71091744 -3.76769505 4.66040358
C 1.54187807 4.95608601 0.51510259
C 2.20963516 5.46440684 1.62528494
C 0.38579480 5.58330932 0.06253173
C 1.73627027 6.59700861 2.26168688
H 3.09430281 4.96768162 1.99609328
C -0.08058911 6.71818063 0.70103508
H -0.15226283 5.17287607 -0.77956242
C 0.59436015 7.22979205 1.79731078
H 2.25875560 6.98660884 3.12321742
H -0.97882238 7.20106670 0.34466092
H 0.22696582 8.11530635 2.29492706
C 3.71628283 4.09721023 -1.10382769
C 3.89816663 5.45367202 -1.35355259
C 4.68737729 3.18733328 -1.51221098
C 5.03634745 5.89137712 -2.00749078
H 3.15360501 6.16882832 -1.02959903
C 5.82231679 3.63040562 -2.16447790
H 4.55253842 2.13658538 -1.29957468
C 5.99751107 4.98211134 -2.41624202
H 5.17252876 6.94609577 -2.19774802
H 6.57427299 2.92063705 -2.47666644
H 6.88424058 5.32726384 -2.92701946
C 2.03135239 -4.47531796 0.75897126
C 1.93151212 -5.84036749 0.52512196
C 2.96835737 -3.99163130 1.66923092
C 2.76851253 -6.71487228 1.19803541
H 1.20439128 -6.21799902 -0.18119396
C 3.79960153 -4.86866902 2.33711615
H 3.03381400 -2.92411993 1.83534512
C 3.69966424 -6.23223551 2.10180145
H 2.69196397 -7.77692831 1.01516664
H 4.52708325 -4.49361638 3.04161680
H 4.34940175 -6.91908053 2.62378919
C -0.03304628 -4.19757306 -1.19150285
C 0.47502078 -4.54121924 -2.43983507
C -1.28410904 -4.65639676 -0.80114418
C -0.26628285 -5.34466506 -3.28546892
H 1.44095860 -4.16565801 -2.74608608
C -2.02470397 -5.45359183 -1.65511461
H -1.66572592 -4.38486529 0.17213342
C -1.51509491 -5.80201310 -2.89458689
H 0.12765991 -5.61325935 -4.25491499
H -3.00047068 -5.80630557 -1.35310093
H -2.09279650 -6.42677881 -3.55984793
130
conf 21  E=-192.86486749 Eh  dE=0.041 kcal/mol  pop=1.18%
Ir 0.19483100 -0.31364298 0.05145792
C -0.94187700 0.92276345 1.31062612
C -0.40777326 1.41347568 2.52705008
C -2.24289813 1.40605280 1.06651277
C -1.07461186 2.26779461 3.37887655
H 0.56231028 1.05632260 2.84591096
C -2.92898639 2.29953482 1.90162840
C -2.34034057 2.74603339 3.06034607
H -0.61183178 2.56866526 4.30992298
H -2.85973059 3.42767187 3.71908925
C -1.43800609 -1.29818276 -0.79723564
C -2.76777268 -0.84970854 -0.89488633
C -1.25451662 -2.57289624 -1.36847358
C -3.80928243 -1.58635147 -1.47602140
C -2.25050981 -3.31034194 -1.96855935
H -0.25522428 -2.99622986 -1.35623955
C -3.55250286 -2.82257150 -2.02007130
H -2.02324003 -4.27660239 -2.40111044
H -4.34343389 -3.40043073 -2.47733652
C 0.05674845 -1.88660926 1.49795568
C -0.82832302 -1.76722089 2.59503328
C 0.70126776 -3.13926899 1.49466513
C -0.99506541 -2.71529513 3.58205954
H -1.42251399 -0.87016346 2.68850379
C 0.56252803 -4.11826304 2.49019726
C -0.27906827 -3.90532056 3.55421948
H -1.68812808 -2.52783869 4.39265282
H -0.38814474 -4.64495081 4.33501533
C 1.65665594 -1.24461994 -1.20856925
C 2.31243758 -2.48085369 -1.03445620
C 2.26066487 -0.47766227 -2.23285423
C 3.43621772 -2.90057442 -1.76232303
C 3.34959736 -0.87405162 -2.97833075
H 1.84734055 0.49336820 -2.46540977
C 3.96357326 -2.09754179 -2.74288156
H 3.73994904 -0.22033907 -3.74855520
H 4.83240743 -2.40688968 -3.30699912
C -0.04753062 1.21164739 -1.37032172
C -0.68486527 0.96644409 -2.61037210
C 0.30604005 2.56650039 -1.21077095
C -0.95240863 1.93920561 -3.54978584
H -0.93434827 -0.05372214 -2.86991338
C 0.01330004 3.57905608 -2.13512147
C -0.63558973 3.27081578 -3.30665698
H -1.41189023 1.66634070 -4.49115591
H -0.86389840 4.03867743 -4.03235487
C 1.94713334 0.46805942 0.90148453
C 2.38872137 1.80275495 0.86421619
C 2.85232889 -0.38177073 1.57021898
C 3.60266365 2.25054339 1.40440294
C 4.04112257 0.03261873 2.12934656
H 2.59096595 -1.42982070 1.66977962
C 4.43680247 1.36309737 2.04140925
H 4.67681729 -0.67875707 2.64239708
H 5.37577407 1.69251103 2.46378065
H -3.93487307 2.61743826 1.64588667
H -4.81834476 -1.18737883 -1.48716218
H 1.12261199 -5.04436949 2.41889766
H 3.91065376 -3.84879056 -1.53315983
H 0.32136279 4.60083257 -1.93675295
H 3.89019829 3.29251306 1.30968598
P -3.23920535 0.75843973 -0.27337958
P 1.38876783 3.08430013 0.11840888
P 1.74476859 -3.69794982 0.15014763
C -3.52573883 1.97523490 -1.59284247
C -3.35441145 3.32881663 -1.33281338
C -3.97947899 1.55970738 -2.84030068
C -3.63852069 4.26243848 -2.31299648
H -3.00222742 3.63930816 -0.35986905
C -4.26955590 2.49790125 -3.81311526
H -4.09014142 0.50444827 -3.04541413
C -4.10171172 3.84861472 -3.55080475
H -3.50156339 5.31516083 -2.11117975
H -4.62501708 2.17661651 -4.78147023
H -4.32774465 4.57850226 -4.31425180
C -4.88754403 0.51304500 0.45213574
C -4.96243621 -0.43227347 1.47265805
C -6.02590080 1.20434508 0.06012583
C -6.16982387 -0.68534733 2.09247832
H -4.06330505 -0.96114591 1.76200468
C -7.23413256 0.94584464 0.68608016
H -5.96854801 1.93942808 -0.73159646
C -7.30746064 0.00417484 1.69855410
H -6.22856617 -1.41967820 2.88219419
H -8.12107772 1.48199445 0.38096611
H -8.25280816 -0.19359483 2.18188412
C 0.56610297 4.14020919 1.34784598
C 1.16696887 4.37078473 2.58089219
C -0.63040620 4.76925899 1.02964883
C 0.57327580 5.23241859 3.48398458
H 2.08798588 3.86350315 2.83080982
C -1.22376780 5.62347931 1.94124215
H -1.08486030 4.58187266 0.06791734
C -0.62090291 5.85990454 3.16537247
H 1.04060892 5.41389255 4.44094154
H -2.15776828 6.10916903 1.69715566
H -1.08423095 6.53021781 3.87431703
C 2.57620252 4.20408265 -0.68256557
C 2.69391741 5.55635886 -0.39102661
C 3.38580806 3.62873755 -1.65939638
C 3.62040298 6.32685202 -1.07401924
H 2.06603874 6.00459546 0.36735156
C 4.30636159 4.40252847 -2.33749333
H 3.28197863 2.57198044 -1.86923189
C 4.42387556 5.75362626 -2.04491569
H 3.71392175 7.37886277 -0.84639605
H 4.93433841 3.95653196 -3.09445662
H 5.14377410 6.35975543 -2.57476159
C 3.21635370 -4.50259992 0.86097964
C 3.24316269 -5.86882266 1.12308536
C 4.31445732 -3.71712693 1.20014697
C 4.35284280 -6.43827630 1.72209450
H 2.40044482 -6.49004120 0.84952114
C 5.42034455 -4.29166156 1.79775793
H 4.30052638 -2.66013477 0.97672628
C 5.44047415 -5.65178320 2.06331344
H 4.36791018 -7.49985165 1.92224089
H 6.27092918 -3.67782827 2.05568451
H 6.30475206 -6.09953216 2.53118257
C 0.89391214 -5.09115541 -0.67442956
C 1.50516586 -5.72914688 -1.74978484
C -0.36039536 -5.51563728 -0.24841649
C 0.87554138 -6.78697553 -2.37937143
H 2.47202921 -5.39565091 -2.09700657
C -0.98367446 -6.57683509 -0.87961705
H -0.84957317 -5.00558638 0.56864780
C -0.36747955 -7.21622938 -1.94278674
H 1.35574831 -7.27803022 -3.21322083
H -1.95735708 -6.90130761 -0.54262993
H -0.85689838 -8.04378069 -2.43507135
130
conf 22  E=-192.86486716 Eh  dE=0.041 kcal/mol  pop=1.18%
Ir 0.12360508 -0.39354556 -0.06031844
C -0.86188496 0.78617308 1.36904073
C -0.21726464 1.16603216 2.57089727
C -2.16148991 1.32141778 1.26801241
C -0.78392600 1.97563752 3.53208605
H 0.76103685 0.75650796 2.78392943
C -2.74669075 2.17240292 2.21604664
C -2.05117587 2.51693590 3.35028984
H -0.23960140 2.19250789 4.44218919
H -2.49100861 3.16640105 4.09398639
C -1.60929964 -1.29073876 -0.83634438
C -2.92467248 -0.79768537 -0.77570543
C -1.53052905 -2.53671945 -1.49297401
C -4.04554241 -1.46496137 -1.29060201
C -2.60981302 -3.20599637 -2.02641741
H -0.55390075 -2.99430411 -1.60472184
C -3.89129368 -2.67550255 -1.92271381
H -2.46547414 -4.15317790 -2.53184418
H -4.74509950 -3.20089641 -2.32718921
C -0.04070424 -2.07614698 1.25946920
C -0.99459295 -2.03420844 2.30409475
C 0.49782071 -3.37040697 1.10605239
C -1.36460549 -3.11103399 3.08009506
H -1.47808433 -1.09451054 2.52873182
C 0.12252305 -4.49029258 1.86441224
C -0.81479620 -4.36743014 2.85997914
H -2.10186037 -2.98056050 3.86269622
H -1.11682775 -5.22269797 3.44833162
C 1.38252346 -1.32902136 -1.51743201
C 1.96384886 -2.61213539 -1.47923697
C 1.79299328 -0.61130718 -2.66464924
C 2.77568885 -3.15750010 -2.48516280
C 2.60442557 -1.11291184 -3.66026403
H 1.44981120 0.40522506 -2.79104609
C 3.09314443 -2.41140290 -3.59386525
H 2.85728209 -0.49065494 -4.50958096
H 3.70981919 -2.82037264 -4.38199878
C -0.18387256 1.23606587 -1.34968508
C -0.94958734 1.10131290 -2.53322591
C 0.23016607 2.56574629 -1.13299339
C -1.27285431 2.14685262 -3.37158798
H -1.26106604 0.11064023 -2.83645382
C -0.11429852 3.65068556 -1.95167920
C -0.88440135 3.44753599 -3.07137754
H -1.83376378 1.95659487 -4.27757248
H -1.15472040 4.27177991 -3.71620507
C 1.95052511 0.28977281 0.68203296
C 2.44429877 1.60702218 0.69967551
C 2.86427265 -0.63672569 1.22086370
C 3.71383904 1.96821179 1.17128179
C 4.10851990 -0.31157709 1.71234859
H 2.55918933 -1.67726811 1.27196331
C 4.55394760 1.00615160 1.68020251
H 4.74758969 -1.08258977 2.12386230
H 5.53548525 1.26909872 2.04893874
H -3.75791112 2.53760406 2.06683026
H -5.03515456 -1.03384993 -1.17987528
H 0.55216340 -5.46298757 1.64830146
H 3.14718654 -4.17237121 -2.38903523
H 0.24804338 4.64592869 -1.71360501
H 4.03836861 3.00250674 1.12406666
P -3.28854558 0.77918084 -0.01403414
P 1.43451847 2.96672492 0.12957525
P 1.78762017 -3.72098893 -0.08321354
C -3.66462901 2.08432517 -1.22165978
C -3.43031215 3.41427024 -0.89735988
C -4.24844711 1.76001342 -2.44167177
C -3.78114861 4.41458248 -1.78581084
H -2.97653862 3.65457531 0.05290364
C -4.60373727 2.76443200 -3.32220846
H -4.40864526 0.72286399 -2.69897965
C -4.37287586 4.09138389 -2.99528943
H -3.59548401 5.44875915 -1.53375516
H -5.05983132 2.51342802 -4.26879501
H -4.65059780 4.87343656 -3.68661917
C -4.86915435 0.52108901 0.84660249
C -4.88208285 -0.49749893 1.79677070
C -6.01434068 1.27182007 0.61766853
C -6.03440446 -0.76282190 2.50936443
H -3.98086264 -1.07502723 1.95741198
C -7.16723213 1.00018971 1.33557447
H -6.00609677 2.06288279 -0.12025783
C -7.17882505 -0.01331199 2.27866790
H -6.04501595 -1.55410406 3.24421307
H -8.05938088 1.58248946 1.15610855
H -8.08111596 -0.22091551 2.83461271
C 0.74382639 3.94837091 1.49347200
C 1.44962669 4.07504246 2.68530725
C -0.45646035 4.62513786 1.32213182
C 0.95678514 4.88258569 3.69276854
H 2.37311736 3.52969815 2.82048349
C -0.94755499 5.42688516 2.33648485
H -0.99464499 4.51774157 0.39161375
C -0.23955749 5.56066348 3.51892683
H 1.50501110 4.98348436 4.61848658
H -1.88345894 5.95119168 2.20476399
H -0.62227873 6.18976032 4.30911430
C 2.58714552 4.11345889 -0.68322258
C 2.76848243 5.43654292 -0.30300527
C 3.29845460 3.59493407 -1.76282265
C 3.66080252 6.23423760 -0.99974327
H 2.21579808 5.84045895 0.53457361
C 4.18632485 4.39548725 -2.45350644
H 3.14402768 2.56072138 -2.04252799
C 4.36789809 5.71692156 -2.07181138
H 3.80342464 7.26339641 -0.70364852
H 4.73897215 3.99372295 -3.28978919
H 5.06215329 6.34380453 -2.61152473
C 3.41300358 -3.89043928 0.73921447
C 3.49798156 -4.59066537 1.93897078
C 4.56097435 -3.33023178 0.18874474
C 4.71958318 -4.74551121 2.56777719
H 2.60540206 -5.00383242 2.38541129
C 5.78086705 -3.49239406 0.82039826
H 4.49360333 -2.75687072 -0.72444811
C 5.86442721 -4.20332234 2.00640781
H 4.77838124 -5.28930122 3.49935778
H 6.66893891 -3.05566445 0.38725246
H 6.81817499 -4.32713854 2.49804470
C 1.50057633 -5.40135666 -0.72570739
C 0.20493062 -5.77287720 -1.07404338
C 2.54724702 -6.29685234 -0.91961289
C -0.03709442 -7.02210135 -1.61309747
H -0.60882554 -5.08309634 -0.90260880
C 2.29885047 -7.54621222 -1.46033471
H 3.55523982 -6.02038575 -0.63967014
C 1.00926681 -7.90954516 -1.81035008
H -1.04469783 -7.30677754 -1.87840492
H 3.11535435 -8.23813049 -1.60785539
H 0.81904158 -8.88548118 -2.23199672
130
conf 23  E=-192.86485819 Eh  dE=0.047 kcal/mol  pop=1.17%
Ir 0.15738581 0.33567571 0.02270594
C -1.33129607 1.48554974 0.95020029
C -0.99818169 2.69872458 1.58728055
C -2.70935459 1.20897863 1.00249849
C -1.90895003 3.53175210 2.19873411
H 0.04625293 2.99010939 1.61572882
C -3.66220296 2.04676622 1.59930955
C -3.26348168 3.21574196 2.20229739
H -1.57408464 4.44147623 2.68214065
H -3.98556388 3.87152877 2.66819989
C -1.13275208 -0.63600425 -1.31718881
C -2.47338161 -0.99561030 -1.07367886
C -0.67925520 -1.08125630 -2.58198675
C -3.26281129 -1.75941636 -1.94466998
C -1.44642198 -1.80635212 -3.46850273
H 0.31375534 -0.79741396 -2.90384673
C -2.74382100 -2.18559862 -3.14365124
H -1.03840997 -2.08308647 -4.43219669
H -3.33981515 -2.77252259 -3.82831934
C -0.29024882 -1.24533400 1.33109234
C -0.90709438 -1.00272827 2.58285301
C -0.09033050 -2.61988238 1.09420570
C -1.27800997 -1.99032429 3.47010968
H -1.04882306 0.02221768 2.89842493
C -0.48837021 -3.64378579 1.96581893
C -1.09886449 -3.33274706 3.15698649
H -1.71089880 -1.72071380 4.42481258
H -1.40400220 -4.10980350 3.84354690
C 1.76164902 -0.61885567 -0.91198815
C 2.02421682 -1.99839779 -0.99267443
C 2.74120605 0.15577709 -1.56397329
C 3.14528044 -2.55374116 -1.62519461
C 3.83843174 -0.35983694 -2.21665200
H 2.61225151 1.23322846 -1.57390260
C 4.05883935 -1.73327378 -2.24350194
H 4.53691085 0.30422057 -2.71008521
H 4.92552233 -2.14638343 -2.74019321
C 0.17187861 2.05797053 -1.25198325
C -0.86798566 2.21107407 -2.19929442
C 0.94339036 3.23313568 -1.13795384
C -1.11057493 3.35600209 -2.92661817
H -1.53039782 1.37643606 -2.38096542
C 0.70577020 4.41986672 -1.84808430
C -0.32661686 4.48903853 -2.75036939
H -1.92939010 3.37893115 -3.63515905
H -0.52412080 5.39872768 -3.30015957
C 1.68559323 0.99924971 1.36955773
C 2.47832731 2.16131774 1.29102995
C 2.07169277 0.18705659 2.46158599
C 3.46925058 2.52333046 2.21640794
C 3.04962986 0.50855255 3.37865332
H 1.57033652 -0.75798532 2.60949606
C 3.75383644 1.70169609 3.27928144
H 3.26725268 -0.17413718 4.19051559
H 4.50763972 1.97152954 4.00565810
H -4.71380578 1.78022139 1.57521105
H -4.28991441 -1.99317305 -1.68299668
H -0.28981546 -4.68020180 1.71149185
H 3.29789182 -3.62810465 -1.61784192
H 1.32027712 5.29536971 -1.66597656
H 4.00933444 3.45590073 2.09275234
P -3.37528322 -0.29837227 0.30754844
P 2.37521225 3.32350634 -0.06772251
P 0.89306833 -3.18969987 -0.28926296
C -4.98310620 0.17301882 -0.39878550
C -4.95301926 1.17352817 -1.36748570
C -6.18991465 -0.41739548 -0.04802595
C -6.12326571 1.58051437 -1.97675331
H -4.00339857 1.62430258 -1.62527216
C -7.36023742 -0.00455153 -0.66274972
H -6.21506752 -1.19508060 0.70349889
C -7.32859231 0.99075766 -1.62459678
H -6.10045873 2.35734131 -2.72658513
H -8.29941717 -0.46300717 -0.38889849
H -8.24436964 1.30836079 -2.10086360
C -3.81494142 -1.52683134 1.57264377
C -4.23680145 -1.10945354 2.83069895
C -3.79734810 -2.87968935 1.26018785
C -4.64415543 -2.04419310 3.76362335
H -4.22991608 -0.05675693 3.07485004
C -4.19880343 -3.81101851 2.20082193
H -3.46971888 -3.19040327 0.27901108
C -4.62690620 -3.39437082 3.45009297
H -4.97380084 -1.72126433 4.74046727
H -4.18043884 -4.86407536 1.95908643
H -4.94348171 -4.12204616 4.18285931
C 2.44950750 5.00658153 0.62515301
C 1.27645688 5.59603741 1.08786197
C 3.65736109 5.68388374 0.76017460
C 1.31454548 6.84347060 1.68176313
H 0.33700154 5.07685999 0.96367804
C 3.68951014 6.93188023 1.35682715
H 4.57223194 5.23909024 0.39140397
C 2.52083974 7.51158542 1.82151469
H 0.40105581 7.29772205 2.03657750
H 4.63061650 7.45247607 1.45934808
H 2.54998404 8.48494661 2.28853843
C 3.93145449 3.22698591 -1.02391187
C 4.96932509 2.39231959 -0.62285062
C 4.07591039 3.99893278 -2.17283603
C 6.14439605 2.35040527 -1.35119135
H 4.84828649 1.76868399 0.25090483
C 5.25148723 3.94959383 -2.89912327
H 3.26523137 4.63217541 -2.50239677
C 6.29026064 3.13066582 -2.48649673
H 6.94683204 1.70068228 -1.03359669
H 5.35759699 4.55120668 -3.79008647
H 7.20864705 3.09526237 -3.05395380
C 1.95350170 -4.49198283 0.40518105
C 2.86198746 -4.07583578 1.37578259
C 1.89135401 -5.82952186 0.03861036
C 3.70382540 -4.99322285 1.97213925
H 2.89525463 -3.02794091 1.64549253
C 2.73879755 -6.74484599 0.64077323
H 1.18553913 -6.15317809 -0.71468490
C 3.64229050 -6.32961312 1.60423512
H 4.40941527 -4.67101181 2.72351072
H 2.69254548 -7.78590574 0.35567780
H 4.30059574 -7.04806814 2.06990174
C -0.09210562 -4.05160979 -1.54987105
C -1.34076689 -4.56314681 -1.22084935
C 0.42593927 -4.25154756 -2.82506601
C -2.06620561 -5.27338415 -2.16008894
H -1.73230613 -4.40209723 -0.22708120
C -0.29982289 -4.96982092 -3.75663304
H 1.38789253 -3.83239850 -3.08324375
C -1.54442070 -5.48221508 -3.42573995
H -3.03953793 -5.66716827 -1.90461633
H 0.10300739 -5.12852048 -4.74641862
H -2.10984189 -6.04039353 -4.15743197
130
conf 24  E=-192.86485572 Eh  dE=0.048 kcal/mol  pop=1.17%
Ir 0.16104952 0.37320185 0.06662838
C -1.43555749 1.52706033 0.78792091
C -1.18751255 2.74589674 1.45242127
C -2.80885169 1.24897529 0.66611160
C -2.16940861 3.58304047 1.93451592
H -0.15541992 3.03841065 1.61275096
C -3.83071364 2.09010779 1.12897040
C -3.51313349 3.26514893 1.76732851
H -1.89962764 4.49744673 2.44885271
H -4.28919844 3.92417373 2.13059580
C -0.94699572 -0.61187371 -1.41886887
C -2.30756448 -0.97155170 -1.34514448
C -0.33540512 -1.06938274 -2.61058484
C -2.97866575 -1.74594033 -2.30171821
C -0.98235356 -1.80565493 -3.58002481
H 0.69047934 -0.78714103 -2.80597611
C -2.31035826 -2.18413395 -3.41975171
H -0.45399726 -2.09204610 -4.48036404
H -2.81363147 -2.77971071 -4.16838133
C -0.44610480 -1.19994728 1.31921145
C -1.22002302 -0.94973892 2.47886473
C -0.20994174 -2.57522548 1.12377145
C -1.69483480 -1.93121423 3.32223495
H -1.40757681 0.07711330 2.76266953
C -0.70885416 -3.59335474 1.94912442
C -1.46746219 -3.27517822 3.04980670
H -2.24803813 -1.65535490 4.21070691
H -1.85131573 -4.04781969 3.70092337
C 1.87393526 -0.58352719 -0.64725359
C 2.14800786 -1.96277565 -0.68535015
C 2.92796177 0.19038125 -1.17137735
C 3.34207786 -2.51833412 -1.16569603
C 4.10196621 -0.32543250 -1.67272188
H 2.79877770 1.26734229 -1.20435625
C 4.32648432 -1.69843604 -1.66443928
H 4.85768597 0.33812028 -2.07377440
H 5.25105777 -2.11166089 -2.04244658
C 0.33531946 2.08780489 -1.20734621
C -0.57368474 2.23034864 -2.28235399
C 1.07899394 3.26833703 -1.00021966
C -0.72802205 3.37151813 -3.03917089
H -1.19954143 1.38966056 -2.54635018
C 0.92722424 4.45125339 -1.73955334
C 0.01870070 4.51079224 -2.76712059
H -1.44813031 3.38652349 -3.84801001
H -0.11290229 5.41778187 -3.34061233
C 1.50381586 1.04986727 1.59261084
C 2.29609028 2.21478309 1.60983680
C 1.75029344 0.24452295 2.72919501
C 3.15931377 2.58553921 2.65219179
C 2.60159583 0.57474399 3.76211908
H 1.23806440 -0.70220165 2.81663452
C 3.30824886 1.77044457 3.74732336
H 2.71595574 -0.10323076 4.59866431
H 3.96147856 2.04720482 4.56298310
H -4.87037892 1.82149333 0.97284811
H -4.03073757 -1.97878473 -2.17108363
H -0.47294093 -4.63070651 1.73348490
H 3.49400748 -3.59232449 -1.13405726
H 1.50759053 5.33154482 -1.48353012
H 3.70745658 3.51979584 2.59344056
P -3.37980202 -0.26439778 -0.09718292
P 2.36305484 3.36986373 0.24268568
P 0.93997471 -3.15280585 -0.12145590
C -4.88127852 0.20190443 -1.01029823
C -6.12479150 -0.38494402 -0.81775140
C -4.72124578 1.19460682 -1.97440057
C -7.20242451 0.02376786 -1.58583182
H -6.25061126 -1.15638424 -0.06983631
C -5.79939351 1.59734120 -2.73698003
H -3.74481846 1.64234049 -2.10727051
C -7.04171172 1.01098724 -2.54313454
H -8.17057129 -0.43165134 -1.43564634
H -5.67574461 2.36779109 -3.48354574
H -7.88557966 1.32487904 -3.13959357
C -3.97569762 -1.48634380 1.10908586
C -3.90347433 -2.84125152 0.81363351
C -4.56239279 -1.06438369 2.29756381
C -4.41431043 -3.77014392 1.70200274
H -3.44685493 -3.15516275 -0.11343806
C -5.07776403 -1.99701534 3.17781865
H -4.59895095 -0.01000343 2.53157782
C -5.00551330 -3.34918299 2.88134923
H -4.35351162 -4.82468825 1.47413967
H -5.53499272 -1.67083310 4.10070819
H -5.40655662 -4.07508598 3.57335369
C 2.34687040 5.05726443 0.92889981
C 1.12410122 5.64447193 1.24157154
C 3.52674327 5.74114071 1.20472962
C 1.08495912 6.89584084 1.82696708
H 0.20873528 5.12026812 1.00765465
C 3.48137081 6.99355929 1.79122526
H 4.48145328 5.29802518 0.95374843
C 2.26276631 7.57083939 2.10665093
H 0.13338011 7.34790528 2.06548734
H 4.40112216 7.51946003 2.00267609
H 2.23121410 8.54767022 2.56621355
C 4.02732442 3.27307374 -0.50961196
C 5.00981792 2.44527187 0.02335134
C 4.31151024 4.03941436 -1.63608509
C 6.26665942 2.40391803 -0.55271272
H 4.78269285 1.82635094 0.87919194
C 5.56867968 3.99098869 -2.20965332
H 3.54587834 4.66753209 -2.06757741
C 6.55038021 3.17824986 -1.66579506
H 7.02542150 1.75914742 -0.13374391
H 5.78318061 4.58840059 -3.08380224
H 7.53239552 3.14314997 -2.11429715
C 1.90653698 -4.44984514 0.70734057
C 2.67739074 -4.03142958 1.78948551
C 1.90077474 -5.78694114 0.33351363
C 3.43797971 -4.94625754 2.49009367
H 2.66963997 -2.98414124 2.06328152
C 2.66615524 -6.69949758 1.04035365
H 1.30223939 -6.11250099 -0.50674862
C 3.43240992 -6.28204727 2.11536317
H 4.03660519 -4.62221946 3.32847122
H 2.66327968 -7.74002531 0.74968408
H 4.02707690 -6.99838682 2.66269163
C 0.12028493 -4.02853428 -1.48692817
C -1.15537492 -4.54724746 -1.30626689
C 0.79093948 -4.23697248 -2.68735971
C -1.75664983 -5.27271341 -2.31869784
H -1.66538298 -4.38045812 -0.36875967
C 0.18864855 -4.97107996 -3.69189400
H 1.77446851 -3.81327368 -2.83114081
C -1.08326950 -5.49033301 -3.50903424
H -2.75087108 -5.67217402 -2.17853785
H 0.71004956 -5.13739866 -4.62330640
H -1.55122482 -6.06133877 -4.29745932
130
conf 25  E=-192.86485141 Eh  dE=0.051 kcal/mol  pop=1.16%
Ir -0.37686754 0.06686269 -0.03339179
C -1.78292787 0.95967762 1.31775171
C -1.29256110 1.75648069 2.37925952
C -3.18203203 1.07979378 1.18665768
C -2.06975721 2.54914481 3.19568864
H -0.23112488 1.75267374 2.58233343
C -3.99529618 1.89555411 1.98815512
C -3.44253486 2.63658750 3.00303830
H -1.60530457 3.12093254 3.98947839
H -4.05702009 3.27242220 3.62511534
C -1.80318848 -0.55773282 -1.50775860
C -3.20813697 -0.46071280 -1.46464982
C -1.37156444 -1.22875163 -2.67595890
C -4.07624132 -0.88636616 -2.48190790
C -2.19986997 -1.67000077 -3.68596534
H -0.31616629 -1.41439382 -2.80928408
C -3.57417325 -1.48255640 -3.61250549
H -1.77350961 -2.16333626 -4.55046286
H -4.22887404 -1.80552829 -4.40983414
C -0.63184212 -1.87954251 0.67502465
C -1.86564018 -2.25175193 1.24304638
C 0.30365792 -2.93033795 0.68200729
C -2.14421948 -3.49684385 1.76020577
H -2.64560250 -1.49900622 1.29882605
C 0.04464415 -4.21511549 1.17893131
C -1.18385771 -4.50293504 1.72478378
H -3.11506855 -3.69757625 2.19584494
H -1.39684785 -5.48700309 2.11810381
C 1.17839498 -0.40482674 -1.36112858
C 2.13491191 -1.42894564 -1.21343241
C 1.38869674 0.35951166 -2.53498708
C 3.19980089 -1.65491128 -2.09750598
C 2.40859545 0.13604068 -3.43473807
H 0.67450775 1.13388450 -2.78102757
C 3.34866832 -0.86284915 -3.21057940
H 2.47842463 0.74042341 -4.32997989
H 4.15795722 -1.03141301 -3.90683346
C -0.33635868 2.04329221 -0.73236617
C -1.48121878 2.61078722 -1.32851786
C 0.73915620 2.94701024 -0.65997336
C -1.55498146 3.90494800 -1.79439992
H -2.35866063 1.98404670 -1.44630040
C 0.68841453 4.27433387 -1.10878709
C -0.46370659 4.75974953 -1.67998162
H -2.46695943 4.26545755 -2.25448186
H -0.51855396 5.78053466 -2.03152723
C 1.14104900 0.32478696 1.39052327
C 2.26326669 1.16887962 1.27030463
C 1.16462976 -0.43317518 2.58550714
C 3.32253590 1.21811055 2.18727471
C 2.17750759 -0.37582045 3.51872425
H 0.31443768 -1.06151873 2.81532568
C 3.29185238 0.42944549 3.31225557
H 2.10622118 -0.96056591 4.42688076
H 4.09795464 0.45903156 4.03180755
H -5.05982693 1.96490507 1.79040485
H -5.14596406 -0.74160337 -2.37482358
H 0.80840851 -4.98395795 1.12428849
H 3.88978366 -2.47320455 -1.91803479
H 1.55172691 4.92176931 -0.99486075
H 4.15375711 1.89614629 2.02157789
P -4.10119895 0.15475699 -0.03967646
P 2.31746484 2.44979801 0.01941033
P 1.95621636 -2.69080207 0.04496845
C -5.45439713 1.21901769 -0.63550294
C -6.72957481 0.71370490 -0.86795703
C -5.18251425 2.55413307 -0.92063090
C -7.71705756 1.53434242 -1.38391088
H -6.95337374 -0.31965094 -0.63803366
C -6.17294584 3.36915581 -1.43509752
H -4.19683478 2.94932000 -0.72085472
C -7.44044438 2.86037094 -1.67125558
H -8.70542379 1.13613418 -1.56187904
H -5.95753275 4.40513726 -1.65188844
H -8.21322628 3.49766760 -2.07508373
C -5.00668457 -1.24588404 0.71160287
C -5.74191762 -1.03979394 1.87508003
C -4.96586941 -2.51395214 0.14122828
C -6.44215237 -2.08533528 2.44821587
H -5.75989995 -0.06290718 2.33571124
C -5.67155605 -3.55483773 0.71691590
H -4.37129510 -2.68437436 -0.74448596
C -6.41384816 -3.34294253 1.86721873
H -7.01113682 -1.91897072 3.35127982
H -5.63619047 -4.53678922 0.26810096
H -6.96323548 -4.15786203 2.31534975
C 2.93530028 3.91178680 0.90700391
C 4.15380459 4.52461853 0.64667687
C 2.11537022 4.39673750 1.92346446
C 4.54621548 5.61902796 1.39940738
H 4.79268398 4.14939811 -0.14147684
C 2.51242621 5.48779369 2.67055003
H 1.16787329 3.90756853 2.10948675
C 3.72974902 6.09979395 2.40884844
H 5.49384964 6.09662866 1.19630048
H 1.87625165 5.86410142 3.45791871
H 4.04166881 6.95293409 2.99306732
C 3.58404364 2.16793999 -1.25328882
C 3.55191800 2.89153771 -2.44067667
C 4.62592760 1.28376322 -1.00688526
C 4.56262161 2.73133727 -3.36971550
H 2.72916455 3.56473938 -2.63468722
C 5.63018981 1.12161255 -1.94421205
H 4.63982734 0.73136898 -0.07878406
C 5.60202917 1.84800804 -3.12285651
H 4.54036620 3.29412586 -4.29162231
H 6.43843836 0.42963996 -1.75507542
H 6.38832643 1.72323395 -3.85285570
C 3.21072522 -2.57704588 1.35577900
C 4.40711449 -1.91503199 1.11120080
C 3.00383493 -3.20829210 2.57758414
C 5.39174127 -1.88552422 2.08222080
H 4.55899968 -1.43148795 0.15721715
C 3.99561354 -3.18426386 3.54029686
H 2.06301896 -3.70377598 2.77057497
C 5.18940494 -2.52438082 3.29426055
H 6.32052238 -1.36623285 1.89310985
H 3.83696104 -3.67785743 4.48823103
H 5.96089006 -2.50452348 4.04997972
C 2.36113802 -4.24687173 -0.80259231
C 1.51532959 -4.60080379 -1.85134686
C 3.43667267 -5.06017480 -0.47225142
C 1.74569002 -5.76118270 -2.56277428
H 0.68099881 -3.95402463 -2.09083443
C 3.66202269 -6.22330760 -1.18966604
H 4.09383032 -4.78646545 0.34223063
C 2.82064886 -6.57360507 -2.23182412
H 1.08999731 -6.03634434 -3.37551451
H 4.49814395 -6.85746579 -0.93273374
H 3.00162646 -7.48175463 -2.78762980
130
conf 26  E=-192.86482512 Eh  dE=0.067 kcal/mol  pop=1.13%
Ir 0.24889644 0.27710935 -0.05899060
C -1.24017106 1.55004407 0.66096773
C -0.88077601 2.81014257 1.17624877
C -2.62820707 1.32459142 0.70900078
C -1.77004528 3.73412723 1.67698715
H 0.17383254 3.06575237 1.19789680
C -3.56197973 2.25004658 1.19527146
C -3.13453941 3.46217441 1.68357566
H -1.40976240 4.67841601 2.06553787
H -3.84236129 4.18515431 2.06403342
C -1.02387800 -0.77352260 -1.35496067
C -2.38951564 -1.05424007 -1.14530565
C -0.53340847 -1.36029623 -2.54688075
C -3.17415763 -1.85672436 -1.98601511
C -1.29524348 -2.12058100 -3.40819534
H 0.48845004 -1.15706286 -2.83864579
C -2.62531487 -2.40460478 -3.12038615
H -0.85712220 -2.49938335 -4.32259972
H -3.21982929 -3.01634700 -3.78418182
C -0.32596895 -1.14800034 1.36702672
C -0.94615939 -0.76183306 2.57915487
C -0.20140312 -2.54731414 1.25065537
C -1.38983211 -1.64715962 3.53830106
H -1.03306880 0.29355776 2.80090114
C -0.67786827 -3.46749372 2.19476813
C -1.28911931 -3.01941374 3.34138451
H -1.82010120 -1.27304413 4.45838511
H -1.65404449 -3.71619024 4.08280074
C 1.87454728 -0.82249961 -0.80344837
C 2.04169567 -2.21849332 -0.76920043
C 2.96295069 -0.16396645 -1.41210298
C 3.16056648 -2.89500348 -1.27613518
C 4.06632995 -0.80184296 -1.93461806
H 2.92592128 0.91665288 -1.49388799
C 4.17869425 -2.18657131 -1.86806348
H 4.85499210 -0.22548067 -2.40270584
H 5.04539213 -2.69380369 -2.26822605
C 0.50331889 1.80759126 -1.53901312
C -0.28066758 1.79902693 -2.71577892
C 1.37161130 2.91726244 -1.51113099
C -0.16061379 2.70207074 -3.75114213
H -1.03200803 1.03228995 -2.83387868
C 1.52912535 3.84223139 -2.55452371
C 0.77349425 3.72843174 -3.69589567
H -0.79663117 2.60543646 -4.62206650
H 0.89363934 4.42385386 -4.51483264
C 1.77094976 0.97073606 1.28449935
C 2.60802553 2.09976481 1.17285759
C 2.18622946 0.12228453 2.33810272
C 3.71480513 2.36204369 1.99524558
C 3.25421548 0.36495793 3.17421979
H 1.63403023 -0.78851402 2.51941177
C 4.04161694 1.49725377 3.01000796
H 3.49067067 -0.34022780 3.96139930
H 4.89135671 1.68770911 3.65065904
H -4.62124861 2.01564821 1.17640062
H -4.22164620 -2.02265557 -1.75492434
H -0.54006869 -4.53199146 2.03371770
H 3.22930656 -3.97461170 -1.19152242
H 2.25306528 4.64489053 -2.46035966
H 4.33268307 3.23540010 1.81424736
P -3.32055573 -0.22042965 0.13759540
P 2.34384691 3.35780905 -0.07292044
P 0.80141586 -3.28121288 -0.04026200
C -4.89413719 0.23052870 -0.65420719
C -6.13260331 -0.25904300 -0.26104583
C -4.80379428 1.11658323 -1.72524227
C -7.27409812 0.14021924 -0.93606616
H -6.20519860 -0.94760985 0.56996678
C -5.94545442 1.51081696 -2.39413566
H -3.82927327 1.48774674 -2.01554030
C -7.18251876 1.02232342 -1.99919857
H -8.23784570 -0.23948574 -0.62906829
H -5.87576153 2.19885868 -3.22355505
H -8.07625442 1.33047112 -2.52131458
C -3.84051721 -1.31354336 1.49331249
C -4.26331467 -0.77012478 2.70180416
C -3.89347468 -2.68643624 1.29309589
C -4.74308002 -1.60025936 3.69723935
H -4.20210446 0.29741220 2.85828054
C -4.36595004 -3.51302374 2.29660523
H -3.56690301 -3.09435999 0.34777397
C -4.79599465 -2.97073941 3.49595860
H -5.07504403 -1.17953072 4.63528784
H -4.40254222 -4.58193946 2.14259509
H -5.16941919 -3.61636002 4.27722826
C 1.64561425 4.89411050 0.63531540
C 2.14402113 5.38484818 1.83844108
C 0.61968783 5.57618464 -0.01094516
C 1.63703897 6.55441154 2.37450014
H 2.92134567 4.84616937 2.36015397
C 0.11992926 6.74779654 0.52789683
H 0.20724163 5.18107092 -0.92785064
C 0.62990568 7.24238169 1.71711822
H 2.02815092 6.92995223 3.30886008
H -0.67516109 7.27319467 0.01925353
H 0.23732458 8.15727901 2.13610219
C 3.99009348 3.89963703 -0.63528929
C 4.28269790 5.24131194 -0.85697357
C 4.96141729 2.93398586 -0.88476921
C 5.53214332 5.60981726 -1.32407372
H 3.53664275 5.99891104 -0.65624282
C 6.20741102 3.30804474 -1.35087092
H 4.73778791 1.89407593 -0.69396653
C 6.49454479 4.64575578 -1.57311710
H 5.75472077 6.65355724 -1.49216118
H 6.95896907 2.55523790 -1.53836482
H 7.46916137 4.93722957 -1.93581751
C 1.75138810 -4.57878521 0.80986340
C 2.63450528 -4.13892586 1.79327610
C 1.63381533 -5.93565370 0.53982963
C 3.39381203 -5.05111746 2.49862060
H 2.71642176 -3.07705024 1.98630092
C 2.39916430 -6.84564967 1.25008050
H 0.94871003 -6.27990602 -0.22325024
C 3.27645873 -6.40648837 2.22690034
H 4.07972469 -4.70964154 3.25963553
H 2.30909024 -7.90131105 1.03844927
H 3.87132710 -7.12075171 2.77673979
C -0.16315262 -4.21060318 -1.26929501
C -1.44154549 -4.65115908 -0.95348422
C 0.40458525 -4.54688394 -2.49360135
C -2.14956713 -5.42310793 -1.85695986
H -1.86960411 -4.38750908 0.00246614
C -0.30393892 -5.32645308 -3.38841361
H 1.39178708 -4.18500980 -2.74283511
C -1.57992452 -5.76563697 -3.07168006
H -3.14642140 -5.76117129 -1.61263997
H 0.13723120 -5.59077136 -4.33848322
H -2.13163411 -6.37202420 -3.77494617
130
conf 27  E=-192.86481327 Eh  dE=0.075 kcal/mol  pop=1.12%
Ir 0.23089373 0.28505088 -0.05477355
C -1.24900182 1.56297411 0.67821920
C -0.88089799 2.82061244 1.19506537
C -2.63609409 1.33946310 0.74506532
C -1.76250717 3.74142798 1.71515531
H 0.17362800 3.07442682 1.20670998
C -3.56282751 2.26470628 1.24559800
C -3.12741461 3.47293364 1.73616106
H -1.39528520 4.68091533 2.10857962
H -3.82875725 4.19495664 2.13024585
C -1.05390749 -0.83328813 -1.28229701
C -2.42354374 -1.08524714 -1.06750453
C -0.56937385 -1.47099071 -2.45071268
C -3.21958143 -1.90165426 -1.88390676
C -1.33970694 -2.25173563 -3.28550966
H 0.45498474 -1.29221927 -2.74890594
C -2.67576700 -2.50133304 -2.99429356
H -0.90348008 -2.67333894 -4.18187162
H -3.27839405 -3.12590967 -3.63848400
C -0.28630835 -1.08556857 1.44641638
C -0.89715826 -0.66215971 2.65091817
C -0.16795049 -2.48798416 1.37162665
C -1.35269448 -1.51819194 3.63067785
H -0.97257989 0.39917491 2.84636414
C -0.65195701 -3.37956236 2.33911983
C -1.26612303 -2.89637886 3.46956133
H -1.78071198 -1.11625234 4.54011866
H -1.64266358 -3.56973809 4.22671544
C 1.85397720 -0.82178566 -0.78857283
C 2.05792471 -2.20878149 -0.67242426
C 2.91315359 -0.17306159 -1.45615411
C 3.19170333 -2.88388917 -1.14635017
C 4.03035791 -0.81168811 -1.94733719
H 2.83880132 0.89805052 -1.61055482
C 4.18588583 -2.18469618 -1.78814530
H 4.79719863 -0.24607481 -2.46254394
H 5.06606372 -2.69065299 -2.15945563
C 0.38352380 1.76470089 -1.59924827
C -0.46370333 1.70366428 -2.73040659
C 1.21030227 2.90476299 -1.64176481
C -0.44151672 2.59311754 -3.78364631
H -1.18575465 0.90356073 -2.79718442
C 1.26684426 3.81913394 -2.70486383
C 0.44891055 3.65898758 -3.79640059
H -1.12176198 2.45520394 -4.61477208
H 0.48960040 4.34747637 -4.62885978
C 1.79491155 1.05538832 1.19284480
C 2.62745153 2.17325246 0.97685818
C 2.26445124 0.25946820 2.26429278
C 3.78799838 2.46283442 1.71053042
C 3.38856500 0.52989452 3.01420060
H 1.71065882 -0.62975906 2.53026078
C 4.17680031 1.63998365 2.73853372
H 3.66928968 -0.13586279 3.82098171
H 5.07128913 1.84829030 3.30893429
H -4.62278953 2.03242993 1.23654865
H -4.27181326 -2.03714487 -1.65434082
H -0.52040711 -4.44882125 2.20661230
H 3.29152040 -3.95390925 -0.99647498
H 1.96102874 4.65180735 -2.66527851
H 4.39556595 3.32354343 1.45057784
P -3.34363901 -0.20512683 0.19159742
P 2.25914309 3.39677037 -0.27652010
P 0.83544309 -3.25885327 0.10412038
C -4.90446817 0.25986654 -0.61480984
C -4.78873290 1.12795722 -1.69809994
C -6.15477114 -0.19626537 -0.21974986
C -5.91812501 1.53717018 -2.37864063
H -3.80489971 1.47407592 -1.98827079
C -7.28386313 0.21842299 -0.90646482
H -6.24490078 -0.87042847 0.62152470
C -7.16746867 1.08219880 -1.98228759
H -5.82917597 2.21135331 -3.21758622
H -8.25753234 -0.13451432 -0.59889603
H -8.05162098 1.40275079 -2.51321782
C -3.86424482 -1.27388042 1.56651213
C -4.25234479 -0.71559363 2.77966236
C -3.93485654 -2.64869498 1.38216148
C -4.72038259 -1.53127226 3.79275901
H -4.17470046 0.35225746 2.92621161
C -4.39472986 -3.46072593 2.40300862
H -3.63163867 -3.07121306 0.43543342
C -4.79375048 -2.90265499 3.60581178
H -5.02654016 -1.09815616 4.73392550
H -4.44510377 -4.53059105 2.25948968
H -5.15808609 -3.53683652 4.40061023
C 1.55997325 4.91849086 0.45931151
C 0.46096003 5.55141943 -0.11195675
C 2.13199871 5.44367294 1.61420010
C -0.04266958 6.70833036 0.45444679
H -0.00484618 5.12820269 -0.99000241
C 1.62131799 6.59838028 2.17807650
H 2.96970577 4.94203577 2.07646560
C 0.53760683 7.23637726 1.59623782
H -0.89652268 7.19493920 0.00609842
H 2.06849679 7.00088692 3.07535320
H 0.14054297 8.13859298 2.03796449
C 3.84055500 3.98491116 -0.96233522
C 4.82366570 3.05166503 -1.27875878
C 4.06063622 5.33215792 -1.23068080
C 6.00911855 3.46303193 -1.85808891
H 4.65723056 2.00820375 -1.05254029
C 5.24894601 5.73790272 -1.81198703
H 3.30529162 6.06477845 -0.97865634
C 6.22263363 4.80555297 -2.12882189
H 6.77051499 2.73570774 -2.09880529
H 5.41411197 6.78548041 -2.01809647
H 7.14865625 5.12565393 -2.58315061
C 1.79248617 -4.52227209 0.99581264
C 1.66442745 -5.88882952 0.78556620
C 2.68067129 -4.04636737 1.95765185
C 2.42492531 -6.77253347 1.53315723
H 0.97500035 -6.26098392 0.03969979
C 3.43545140 -4.93248591 2.70017407
H 2.76920467 -2.97771113 2.10469411
C 3.30754551 -6.29756290 2.48820630
H 2.32657448 -7.83576960 1.36836292
H 4.12484190 -4.56342602 3.44499314
H 3.89739634 -6.99164761 3.06849951
C -0.13240031 -4.23229996 -1.08722356
C 0.44520572 -4.64166346 -2.28458754
C -1.42443298 -4.62842309 -0.76849440
C -0.26917134 -5.44695382 -3.15134418
H 1.44462868 -4.31556889 -2.53511237
C -2.13723425 -5.42793067 -1.64374616
H -1.85918890 -4.30609597 0.16619154
C -1.55934905 -5.84119503 -2.83232669
H 0.17829269 -5.76711202 -4.08111274
H -3.14478546 -5.73181420 -1.39828779
H -2.11569590 -6.46760236 -3.51408357
130
conf 28  E=-192.86480066 Eh  dE=0.083 kcal/mol  pop=1.10%
Ir 0.16770730 -0.32313273 0.00826763
C -0.67575918 0.94538114 1.45228825
C 0.09761254 1.43236930 2.53434328
C -1.99053796 1.45182356 1.46695126
C -0.37229142 2.30217018 3.49486975
H 1.10572756 1.05958042 2.65688874
C -2.48132143 2.36281932 2.41349193
C -1.66732246 2.80305344 3.42926911
H 0.27093717 2.59796493 4.31353961
H -2.03378946 3.49736366 4.17218798
C -1.61856205 -1.27971144 -0.49085269
C -2.93316909 -0.80702499 -0.32618539
C -1.57464842 -2.56005039 -1.07642526
C -4.08197476 -1.52811475 -0.68018541
C -2.68233652 -3.28363057 -1.45730302
H -0.59971156 -2.99919554 -1.26199981
C -3.95998231 -2.77271369 -1.25140311
H -2.56225833 -4.25652144 -1.91709998
H -4.83598002 -3.33923027 -1.53457560
C 0.28091247 -1.88729456 1.46929549
C -0.36330349 -1.73876179 2.72001208
C 0.86178029 -3.16474995 1.34216574
C -0.37603111 -2.68745079 3.72029826
H -0.88507725 -0.81683453 2.92985654
C 0.88040539 -4.14405280 2.34723140
C 0.26874919 -3.90637977 3.55353068
H -0.88877950 -2.47736556 4.65063529
H 0.28148430 -4.64765060 4.34030432
C 1.35107861 -1.29145886 -1.49395023
C 2.00882347 -2.53760149 -1.43032328
C 1.78039766 -0.53579155 -2.61058560
C 2.99011281 -2.97321595 -2.33388037
C 2.72343883 -0.94812967 -3.52679937
H 1.34343066 0.43908046 -2.77485701
C 3.35553932 -2.17769546 -3.39145878
H 2.98568769 -0.30229850 -4.35574186
H 4.11434678 -2.49823250 -4.09169895
C -0.32575986 1.19015080 -1.36044246
C -1.19650473 0.94144803 -2.44822683
C 0.06458971 2.54248512 -1.28775517
C -1.63877392 1.91031956 -3.32364305
H -1.50018190 -0.07811455 -2.64441551
C -0.39784825 3.55110584 -2.14422457
C -1.27044799 3.24063631 -3.15963450
H -2.27873384 1.63507550 -4.15218542
H -1.63409527 4.00567294 -3.83111440
C 2.06411534 0.43746335 0.48411037
C 2.51155276 1.76216998 0.33107314
C 3.07038716 -0.42000573 0.97499373
C 3.81816783 2.19247489 0.60236094
C 4.35622038 -0.02228999 1.26811007
H 2.81314002 -1.45881910 1.15127764
C 4.74978670 1.29710246 1.07081843
H 5.07159513 -0.73764435 1.65537174
H 5.76180403 1.61250989 1.28276707
H -3.51207795 2.69878150 2.35921589
H -5.06594011 -1.11026322 -0.49370703
H 1.38245853 -5.08948285 2.17097407
H 3.48265260 -3.92835473 -2.18359442
H -0.04829732 4.57124966 -2.02089670
H 4.09779836 3.22691209 0.43166723
P -3.24507223 0.81331490 0.36034574
P 1.39830565 3.05399103 -0.20749611
P 1.61447143 -3.74936128 -0.17400232
C -3.76980883 2.02673136 -0.88703633
C -3.52798560 3.37848344 -0.67898274
C -4.46835337 1.61231960 -2.01605094
C -3.98559271 4.31128506 -1.59192822
H -2.98468254 3.68840551 0.20165601
C -4.93074174 2.54988606 -2.92044955
H -4.63450426 0.55807522 -2.18526691
C -4.69205744 3.89877829 -2.70923850
H -3.79354847 5.36245405 -1.43116298
H -5.47662141 2.22937154 -3.79589749
H -5.05313555 4.62819191 -3.41934744
C -4.71589259 0.60165876 1.40673348
C -4.59025834 -0.32205835 2.44188419
C -5.90425867 1.29902180 1.23734732
C -5.64841638 -0.54588658 3.29980356
H -3.65569171 -0.85667557 2.55456993
C -6.96233779 1.06926571 2.10114343
H -6.00227083 2.01656625 0.43369169
C -6.83611636 0.15076925 3.12943241
H -5.55180088 -1.26226534 4.10209720
H -7.88822357 1.61027710 1.96987916
H -7.66458239 -0.02346701 3.79997700
C 0.85577867 4.12360635 1.15789675
C -0.36545884 4.77988996 1.08084504
C 1.69544683 4.34174757 2.24510218
C -0.74689237 5.64858490 2.08736402
H -1.00629429 4.60387363 0.22936728
C 1.31203162 5.21669071 3.24389660
H 2.63674416 3.81447251 2.30786766
C 0.09244421 5.87097287 3.16613462
H -1.69938484 6.15564663 2.03007786
H 1.96354229 5.38818427 4.08847352
H -0.20505112 6.55158334 3.95031160
C 2.40663007 4.16383725 -1.23563967
C 3.00586834 3.58334140 -2.35123651
C 2.57651319 5.51852955 -0.98265563
C 3.76970904 4.35411869 -3.20483769
H 2.86517629 2.52507382 -2.52931431
C 3.34455029 6.28608509 -1.84238326
H 2.11197223 5.97129530 -0.11699399
C 3.93894664 5.70751156 -2.95088296
H 4.23474179 3.90410480 -4.06939904
H 3.47784227 7.33991080 -1.64497646
H 4.53554791 6.31152177 -3.61843289
C 3.15056694 -4.62504195 0.26490525
C 3.17157042 -6.00124294 0.46828702
C 4.31204172 -3.88397821 0.46354636
C 4.33926253 -6.62458170 0.87163226
H 2.27692604 -6.58734399 0.30420411
C 5.47540215 -4.51201637 0.86631261
H 4.29809941 -2.81860995 0.28442863
C 5.49038377 -5.88214226 1.07529796
H 4.34921515 -7.69356975 1.02797979
H 6.37421246 -3.93245652 1.01784918
H 6.39911483 -6.37166890 1.39301653
C 0.58097609 -5.09675878 -0.85378544
C 0.91687400 -5.65782648 -2.08234439
C -0.53250879 -5.56712177 -0.16560042
C 0.15899408 -6.68955325 -2.60483868
H 1.76629951 -5.28012635 -2.63257896
C -1.28433558 -6.60221822 -0.69156554
H -0.81457366 -5.11203633 0.77275217
C -0.93867063 -7.16839427 -1.90774419
H 0.42467595 -7.12102848 -3.55893108
H -2.14741009 -6.96362366 -0.15166006
H -1.52808604 -7.97605678 -2.31642225
130
conf 29  E=-192.86476671 Eh  dE=0.104 kcal/mol  pop=1.06%
Ir 0.16274004 0.30918263 0.06139168
C -1.42455830 1.34068900 0.96361401
C -1.18411634 2.53093922 1.68049924
C -2.78917339 1.00136521 0.92261583
C -2.16509257 3.28895033 2.28082943
H -0.15760157 2.86636418 1.78246871
C -3.81104844 1.76062782 1.51004693
C -3.50114579 2.91193513 2.19386729
H -1.90076757 4.18671813 2.82633068
H -4.27753368 3.50852490 2.65199620
C -1.00755012 -0.60755531 -1.41818170
C -2.34039558 -1.04256406 -1.27524336
C -0.46824986 -0.93771268 -2.68434990
C -3.04496616 -1.77696683 -2.23930166
C -1.15153933 -1.63186316 -3.65971824
H 0.52513656 -0.58684444 -2.93004159
C -2.44359613 -2.09281819 -3.43389123
H -0.68101296 -1.81939800 -4.61640398
H -2.97306842 -2.65681048 -4.18889495
C -0.29803915 -1.37377968 1.23183296
C -0.99172778 -1.23683107 2.45937978
C -0.02034138 -2.72087498 0.92562406
C -1.35665853 -2.29227728 3.26745513
H -1.20093525 -0.24064000 2.82554019
C -0.40991324 -3.81291532 1.71460721
C -1.09293731 -3.60332173 2.88839595
H -1.85024535 -2.10118734 4.21157267
H -1.39045918 -4.43392732 3.51278173
C 1.85174440 -0.52485017 -0.84154276
C 2.16889915 -1.88547196 -1.00384797
C 2.83157347 0.32491582 -1.39122330
C 3.33717682 -2.35751076 -1.61850581
C 3.97640633 -0.10613599 -2.02315754
H 2.66255225 1.39477159 -1.33661476
C 4.24793560 -1.46601577 -2.13406232
H 4.67160357 0.61428989 -2.43539096
H 5.15076072 -1.81409323 -2.61597138
C 0.19757331 2.11592010 -1.09106199
C -0.79010849 2.30638122 -2.08589709
C 0.93522014 3.29635905 -0.86318633
C -1.01182296 3.48696145 -2.76132888
H -1.42467186 1.47282276 -2.35193559
C 0.71818611 4.51718274 -1.51987686
C -0.25959877 4.61987795 -2.47825184
H -1.78866111 3.53736931 -3.51423201
H -0.44038648 5.55515996 -2.98951597
C 1.57404708 0.93062450 1.55207109
C 2.31955273 2.12488494 1.60800500
C 1.91097893 0.06612503 2.61991605
C 3.21421974 2.46856693 2.63321034
C 2.79443875 0.36933095 3.63408000
H 1.44794052 -0.90821079 2.66683132
C 3.44598111 1.59549480 3.66762220
H 2.97761266 -0.35473582 4.41809517
H 4.12233364 1.85078346 4.47137379
H -4.84583486 1.44824542 1.41508255
H -4.07164276 -2.07511737 -2.05173141
H -0.14664169 -4.82172565 1.41255487
H 3.52736754 -3.42419092 -1.67866164
H 1.30554482 5.39002038 -1.25401124
H 3.72067715 3.42765756 2.60946810
P -3.34496994 -0.48612643 0.09888889
P 2.29165051 3.35077589 0.30343953
P 1.05394377 -3.16139095 -0.43747890
C -4.93639294 -0.04133179 -0.66066960
C -4.90356559 1.01483735 -1.56835771
C -6.13228814 -0.69888252 -0.40464337
C -6.05976181 1.40991871 -2.21129714
H -3.96285581 1.51743319 -1.75253582
C -7.28877514 -0.29739376 -1.05231110
H -6.16029861 -1.51984422 0.29917063
C -7.25423064 0.75307602 -1.95343669
H -6.03442657 2.22952003 -2.91403551
H -8.21952972 -0.80802566 -0.85172051
H -8.15919363 1.06130748 -2.45585273
C -3.79095550 -1.82019735 1.24970699
C -3.68513281 -3.14441533 0.84576798
C -4.30695354 -1.51470197 2.50473484
C -4.09181601 -4.15921120 1.69313719
H -3.28493104 -3.36668465 -0.13251432
C -4.71832805 -2.53283256 3.34401173
H -4.36989191 -0.48303791 2.82044597
C -4.61260859 -3.85451910 2.93952027
H -4.00531511 -5.19007406 1.38076398
H -5.12045443 -2.29754275 4.31874662
H -4.93271111 -4.64747760 3.59939380
C 2.29569981 4.99945586 1.07729104
C 1.08932948 5.53600155 1.51828634
C 3.47812298 5.70107465 1.28998975
C 1.06911080 6.75719684 2.16513297
H 0.17077574 4.99667124 1.33595475
C 3.45170562 6.92308773 1.93851396
H 4.41890210 5.29481490 0.94270896
C 2.24977053 7.45123139 2.37919719
H 0.13039327 7.17103502 2.50318414
H 4.37314607 7.46352533 2.10026339
H 2.23308559 8.40471098 2.88611057
C 3.91098088 3.31349389 -0.54598772
C 4.94307978 2.50280843 -0.08545590
C 4.10860069 4.10402625 -1.67418739
C 6.16473453 2.50323868 -0.73392082
H 4.78184189 1.86425033 0.77082466
C 5.33100218 4.09708845 -2.32042348
H 3.30182630 4.71609536 -2.05069725
C 6.36316395 3.30224366 -1.84802850
H 6.96235737 1.87135887 -0.37140014
H 5.47887361 4.71209334 -3.19617222
H 7.31770372 3.29917950 -2.35361110
C 2.13423577 -4.46332578 0.22568121
C 2.96821044 -4.07790598 1.27284010
C 2.16083575 -5.77084835 -0.23986671
C 3.82373734 -4.99621920 1.84781754
H 2.93345858 -3.05257289 1.61843756
C 3.02162722 -6.68723123 0.34133625
H 1.51347922 -6.06991973 -1.05343092
C 3.85056829 -6.30269546 1.38152215
H 4.47166782 -4.69773834 2.65857505
H 3.04464925 -7.70487181 -0.02064623
H 4.52002843 -7.02171784 1.83005360
C 0.17087171 -3.97437941 -1.80230345
C -1.05405548 -4.58495614 -1.56526508
C 0.74495249 -4.03854564 -3.06728946
C -1.69971141 -5.25864576 -2.58614851
H -1.49007974 -4.53033067 -0.57844812
C 0.09972419 -4.72196296 -4.08095453
H 1.68695229 -3.54267624 -3.25275230
C -1.12109121 -5.33290644 -3.84212525
H -2.65481808 -5.72938605 -2.40197255
H 0.54709010 -4.77571325 -5.06279643
H -1.62383138 -5.86321822 -4.63752386
130
conf 30  E=-192.86476233 Eh  dE=0.107 kcal/mol  pop=1.06%
Ir 0.13048289 -0.28913244 -0.06139875
C -0.92343642 0.83392627 1.36676973
C -0.31180261 1.23972113 2.57723682
C -2.23510270 1.33250573 1.23953437
C -0.91371547 2.04985358 3.51635728
H 0.67088223 0.85485179 2.81442311
C -2.85738066 2.18174539 2.16512436
C -2.18887086 2.56095103 3.30440902
H -0.39096233 2.29076385 4.43311425
H -2.65504790 3.21263142 4.02993446
C -1.55220705 -1.25020743 -0.86866669
C -2.89211124 -0.82978655 -0.79416922
C -1.40937342 -2.48285476 -1.53922556
C -3.97953273 -1.55703864 -1.29887085
C -2.45593399 -3.20994402 -2.06216010
H -0.40832528 -2.87947590 -1.66899063
C -3.76449961 -2.75599548 -1.93536682
H -2.26546390 -4.14378612 -2.57716056
H -4.59208417 -3.32965291 -2.32854079
C 0.01259065 -2.00354643 1.21851808
C -0.96256821 -2.02291017 2.24372581
C 0.59249789 -3.27589700 1.03360504
C -1.32336149 -3.13828064 2.96802827
H -1.46978110 -1.10183546 2.49386871
C 0.22653920 -4.43372716 1.73696934
C -0.74048178 -4.37249198 2.70976401
H -2.07927706 -3.05652786 3.73942737
H -1.03743246 -5.25781673 3.25467395
C 1.46941500 -1.13344720 -1.50365277
C 2.12966259 -2.37763551 -1.46270673
C 1.87831220 -0.37034017 -2.62236112
C 3.02355789 -2.84631267 -2.43749726
C 2.76887944 -0.79528477 -3.58525633
H 1.46740931 0.61990160 -2.75381156
C 3.34536616 -2.05705429 -3.51442414
H 3.01618127 -0.14109212 -4.41201193
H 4.02899278 -2.40575164 -4.27585388
C -0.21661212 1.33877552 -1.34314074
C -0.97312247 1.18421176 -2.53059444
C 0.17637835 2.67552694 -1.13379964
C -1.30151948 2.21722976 -3.38215296
H -1.27173016 0.18754025 -2.82652785
C -0.16895293 3.74736604 -1.96958793
C -0.92550362 3.52432314 -3.09476399
H -1.85593026 2.01133422 -4.28870009
H -1.19519724 4.33851752 -3.75254951
C 1.91035012 0.45233457 0.73789538
C 2.35970803 1.78469699 0.77734140
C 2.82852387 -0.44430537 1.31874163
C 3.59302330 2.18706807 1.30835491
C 4.03495422 -0.07815492 1.87192865
H 2.55751140 -1.49453612 1.35478629
C 4.43752163 1.25356108 1.86111546
H 4.67732784 -0.82819387 2.31582324
H 5.38982546 1.54843899 2.27904273
H -3.87447085 2.51970243 1.99316582
H -4.99029257 -1.18194891 -1.17608298
H 0.68838766 -5.38565775 1.49586397
H 3.45660935 -3.83651777 -2.34255297
H 0.18260687 4.74846076 -1.73996682
H 3.88628143 3.23122480 1.27317587
P -3.32785201 0.73566363 -0.04722757
P 1.33879566 3.11294732 0.15532575
P 1.94544980 -3.53448337 -0.10756495
C -3.73288623 2.01272943 -1.27507332
C -3.51144919 3.35144898 -0.97942462
C -4.31828873 1.65591715 -2.48537632
C -3.87325478 4.32873160 -1.88866611
H -3.05662591 3.61513401 -0.03594965
C -4.68459746 2.63763721 -3.38673466
H -4.47076878 0.61186554 -2.71897714
C -4.46395387 3.97348572 -3.08973442
H -3.69622043 5.36992039 -1.66020391
H -5.14115315 2.36219802 -4.32635403
H -4.74872226 4.73748757 -3.79815825
C -4.90494684 0.43267018 0.80406770
C -4.88873854 -0.57033182 1.77069199
C -6.07153292 1.14542683 0.56181973
C -6.03366976 -0.85798266 2.48658038
H -3.97069043 -1.11749117 1.94176728
C -7.21681896 0.85143599 1.28306166
H -6.08481791 1.92480478 -0.18838963
C -7.19931330 -0.14620465 2.24295471
H -6.02187927 -1.63642853 3.23500877
H -8.12551954 1.40443560 1.09417301
H -8.09538747 -0.37051284 2.80252424
C 0.57294742 4.09240410 1.48082029
C -0.64149226 4.72798061 1.25708257
C 1.22578762 4.25145455 2.69874222
C -1.19909632 5.52041575 2.24392305
H -1.13911488 4.59646518 0.30748810
C 0.66760725 5.05144821 3.67799306
H 2.15983133 3.73785079 2.87636493
C -0.54309632 5.68730694 3.45197867
H -2.14646709 6.01042515 2.07069330
H 1.17542795 5.17840149 4.62307629
H -0.97754911 6.30906768 4.22093211
C 2.49716562 4.26793307 -0.63588195
C 3.25126591 3.74292444 -1.68289218
C 2.64863037 5.59805594 -0.26820515
C 4.15196412 4.54503468 -2.35477211
H 3.11941805 2.70262347 -1.95177533
C 3.55468094 6.39705962 -0.94573450
H 2.06261486 6.00589058 0.54459495
C 4.30408654 5.87381191 -1.98576437
H 4.73768137 4.13855655 -3.16591095
H 3.67500308 7.43190528 -0.65972030
H 5.00876984 6.50198445 -2.51035553
C 3.53309947 -3.65299653 0.79308509
C 4.68172121 -3.02735776 0.31999514
C 3.58617889 -4.38259518 1.97698754
C 5.87254429 -3.15307878 1.01255184
H 4.63639544 -2.43165032 -0.58016949
C 4.77830657 -4.50033380 2.66731475
H 2.69068176 -4.84713910 2.36329814
C 5.92523817 -3.89216372 2.18305707
H 6.76158235 -2.66562645 0.63966817
H 4.81232706 -5.06656430 3.58666953
H 6.85611224 -3.98665284 2.72273022
C 1.77831114 -5.20379675 -0.81721511
C 0.52431375 -5.62968943 -1.24577761
C 2.88225260 -6.03146352 -0.99547115
C 0.38028673 -6.86411762 -1.85033250
H -0.33443966 -4.99390409 -1.08621568
C 2.73210887 -7.26594445 -1.60225562
H 3.85823711 -5.71402095 -0.65268072
C 1.48388673 -7.68229580 -2.03390477
H -0.59533068 -7.19098823 -2.17907127
H 3.59313358 -7.90410848 -1.73848444
H 1.37078310 -8.64555330 -2.50901332
130
conf 31  E=-192.86476042 Eh  dE=0.108 kcal/mol  pop=1.06%
Ir -0.40503804 -0.00560548 0.05063099
C -1.70378317 0.77585440 1.55754157
C -1.15797249 1.41572306 2.69528723
C -3.11139286 0.81923079 1.57138325
C -1.89523894 1.94703193 3.73164365
H -0.08405181 1.49711759 2.77954677
C -3.88886422 1.34325801 2.61494688
C -3.28363410 1.89762781 3.71531308
H -1.38706452 2.40485914 4.57104171
H -3.86917564 2.29469179 4.53260149
C -1.93298902 -0.67016788 -1.29243542
C -3.33283023 -0.59447398 -1.15093118
C -1.56912520 -1.45475133 -2.41297945
C -4.25832004 -1.19277197 -2.01956409
C -2.45531221 -2.03954590 -3.29086516
H -0.52044203 -1.61351607 -2.61719224
C -3.82597714 -1.91256692 -3.10482060
H -2.08034290 -2.61178756 -4.13029756
H -4.53005327 -2.37568352 -3.78179564
C -0.60513233 -1.97071210 0.75422683
C -1.79444485 -2.37814205 1.39290542
C 0.34330864 -3.00581902 0.67143683
C -2.01591875 -3.64179927 1.89473000
H -2.58609642 -1.64693784 1.51789284
C 0.14028152 -4.30617396 1.15520746
C -1.04362870 -4.62915044 1.77436740
H -2.95263205 -3.87210964 2.38715450
H -1.21394824 -5.62608971 2.15610424
C 1.03716010 -0.44887209 -1.40904379
C 2.01594089 -1.46043028 -1.34165037
C 1.13962112 0.31951489 -2.59375611
C 3.01240352 -1.66748082 -2.30587957
C 2.09006659 0.11406807 -3.57080124
H 0.39533620 1.08214216 -2.78037763
C 3.06242196 -0.86815184 -3.42277028
H 2.07981647 0.72014293 -4.46756191
H 3.81939998 -1.02000666 -4.17928408
C -0.43543392 1.96998323 -0.62751407
C -1.63117544 2.51660560 -1.13506010
C 0.62885068 2.89013376 -0.64385781
C -1.76114781 3.80487364 -1.60472879
H -2.50766574 1.87724941 -1.17911439
C 0.52193419 4.21437366 -1.09112269
C -0.67797126 4.67742024 -1.57703846
H -2.71231490 4.14495805 -1.99492895
H -0.77555193 5.69467698 -1.92957545
C 1.23443291 0.24864974 1.33673498
C 2.32670103 1.11693516 1.13825853
C 1.38102030 -0.53843698 2.50457000
C 3.46047802 1.16984507 1.96146432
C 2.46972601 -0.47903981 3.34798132
H 0.56770321 -1.19128618 2.79224886
C 3.54383956 0.35750509 3.06670403
H 2.49057940 -1.08691314 4.24337843
H 4.40783268 0.39089230 3.71539048
H -4.97052516 1.31228620 2.55019834
H -5.32059000 -1.11096237 -1.82135400
H 0.91052941 -5.06027871 1.03126941
H 3.72691024 -2.47541059 -2.18402946
H 1.38058480 4.87620546 -1.04399871
H 4.25963267 1.87038311 1.74063194
P -4.12852469 0.27811990 0.19802681
P 2.26231554 2.41308823 -0.09597020
P 1.94053007 -2.73695482 -0.08711897
C -5.04494152 1.74615649 -0.38901800
C -4.63614389 3.02062784 -0.00785921
C -6.14019262 1.60658424 -1.23707597
C -5.31462109 4.13472782 -0.46731682
H -3.78467585 3.13515918 0.64719095
C -6.81239603 2.72388700 -1.69694226
H -6.47936072 0.62394103 -1.53112561
C -6.40142701 3.99030220 -1.31385649
H -4.99106369 5.11958787 -0.16360553
H -7.66162383 2.60548156 -2.35419602
H -6.92941035 4.86131373 -1.67328297
C -5.45467553 -0.80874224 0.81595086
C -5.24648858 -2.18534186 0.82730940
C -6.64565064 -0.29317323 1.31862884
C -6.21122800 -3.02975711 1.34371877
H -4.33237633 -2.58910560 0.41648613
C -7.60776787 -1.14330495 1.83391065
H -6.83137220 0.77244724 1.29271258
C -7.39130168 -2.51108093 1.85213113
H -6.04333785 -4.09687155 1.34637739
H -8.53074634 -0.73578314 2.22021815
H -8.14456937 -3.17173078 2.25538043
C 2.92682313 3.87770383 0.75212286
C 2.19362709 4.33016652 1.84668400
C 4.09843903 4.52632295 0.38540286
C 2.63029322 5.42458623 2.56624371
H 1.28202138 3.81216928 2.11572630
C 4.53100126 5.62380266 1.11104208
H 4.66931097 4.17581650 -0.46396433
C 3.80078232 6.07227070 2.19848673
H 2.06174225 5.77586032 3.41455163
H 5.44216184 6.12924480 0.82548234
H 4.14366374 6.92797786 2.76111442
C 3.42175494 2.15894901 -1.47225571
C 4.50135047 1.29938734 -1.31734570
C 3.26867446 2.87661190 -2.65374250
C 5.42345053 1.15797709 -2.33859384
H 4.61025470 0.74991741 -0.39378266
C 4.19801422 2.73748258 -3.66728148
H 2.41585070 3.52884367 -2.77665509
C 5.27583509 1.88005148 -3.51093281
H 6.26096491 0.48551315 -2.21991020
H 4.08153200 3.29640114 -4.58446820
H 5.99849197 1.77162643 -4.30634249
C 3.29882402 -2.63565736 1.11652417
C 4.45416877 -1.93536667 0.79505596
C 3.21343427 -3.31637560 2.32625634
C 5.51937349 -1.91707038 1.67726256
H 4.50980735 -1.41261767 -0.14852649
C 4.28438470 -3.30154523 3.20000895
H 2.30435776 -3.84192384 2.58120960
C 5.43773011 -2.60410560 2.87674338
H 6.41650094 -1.36863651 1.42812984
H 4.22009278 -3.83221197 4.13879987
H 6.27161001 -2.59290942 3.56317874
C 2.28623647 -4.27935803 -0.98591835
C 1.34781255 -4.64376073 -1.94867521
C 3.40465431 -5.07340989 -0.77081867
C 1.52770071 -5.79639814 -2.68708031
H 0.48054189 -4.01384069 -2.09939502
C 3.57915744 -6.22851711 -1.51466750
H 4.13419979 -4.79144294 -0.02351787
C 2.64450564 -6.59024572 -2.46984789
H 0.79903597 -6.08035688 -3.43180604
H 4.44817780 -6.84781888 -1.34601464
H 2.78537655 -7.49283409 -3.04587041
130
conf 32  E=-192.86475199 Eh  dE=0.113 kcal/mol  pop=1.05%
Ir 0.21974231 -0.29264969 0.02541092
C -0.81572289 0.91868377 1.39349841
C -0.16902113 1.43278099 2.54413619
C -2.15207807 1.35379465 1.29551249
C -0.76838023 2.26505884 3.46504309
H 0.84235627 1.11169993 2.75446373
C -2.77384717 2.22522251 2.20150287
C -2.07773885 2.69700795 3.28827081
H -0.21703807 2.58493293 4.33979053
H -2.54532565 3.36214423 4.00046922
C -1.46332957 -1.32259687 -0.65719785
C -2.80973448 -0.91869369 -0.60822089
C -1.30073402 -2.58333044 -1.26405323
C -3.88252542 -1.68536911 -1.08407016
C -2.32961652 -3.34857777 -1.76560953
H -0.29231446 -2.96992243 -1.36693130
C -3.64512343 -2.90642936 -1.66955048
H -2.11752720 -4.30073953 -2.23532873
H -4.46114813 -3.50642642 -2.04715817
C 0.26226401 -1.86617688 1.47985517
C -0.49700275 -1.75668190 2.66858662
C 0.90650564 -3.11663287 1.39861654
C -0.55788352 -2.71385702 3.65895460
H -1.07531520 -0.86022391 2.83577662
C 0.87642391 -4.10387609 2.39565985
C 0.15047843 -3.90309843 3.54392687
H -1.15998195 -2.53362037 4.54076198
H 0.12484023 -4.65032806 4.32472590
C 1.58354698 -1.18990849 -1.36204761
C 2.27947313 -2.41172000 -1.24946944
C 2.08787676 -0.40195033 -2.42341436
C 3.35727573 -2.79785148 -2.06062874
C 3.13028815 -0.76478135 -3.24854401
H 1.63095710 0.55833911 -2.61748564
C 3.79218495 -1.97265340 -3.06810343
H 3.44685497 -0.09657546 -4.03992280
H 4.62591021 -2.25470091 -3.69595637
C -0.20994107 1.21547337 -1.37083946
C -0.96860785 0.94592366 -2.53495913
C 0.10962014 2.58260312 -1.24753936
C -1.37940139 1.90851878 -3.43231518
H -1.20565144 -0.08283324 -2.77073675
C -0.32131322 3.58335243 -2.12940871
C -1.08860050 3.25121008 -3.22011078
H -1.93293841 1.61870437 -4.31629018
H -1.42857454 4.01023404 -3.91059046
C 2.02648487 0.54473117 0.68603626
C 2.42501685 1.89040768 0.59092099
C 3.02064573 -0.27458011 1.25996661
C 3.67789258 2.37498515 0.99289347
C 4.25250104 0.17610242 1.68047599
H 2.79743661 -1.32717189 1.39680525
C 4.60067120 1.51538595 1.53931241
H 4.96050467 -0.51268599 2.12521122
H 5.57145271 1.87288841 1.85291140
H -3.81287727 2.50503259 2.05832019
H -4.89972394 -1.32177245 -0.98083068
H 1.43117007 -5.02619010 2.25968114
H 3.86727027 -3.73785459 -1.87678127
H -0.02989448 4.61572300 -1.96386032
H 3.92418443 3.42363247 0.86173547
P -3.26752663 0.66795422 0.07466196
P 1.31234418 3.13876011 -0.04298764
P 1.81504574 -3.65399464 -0.04784830
C -3.73950169 1.87680310 -1.19771757
C -3.57792606 3.23462699 -0.95390843
C -4.31388219 1.44966899 -2.39026553
C -3.99304175 4.16008586 -1.89423235
H -3.12961396 3.55523629 -0.02492947
C -4.73464022 2.37960375 -3.32241874
H -4.41639954 0.39206072 -2.58616745
C -4.57686834 3.73426234 -3.07550253
H -3.86334208 5.21609351 -1.70509012
H -5.18461806 2.04841456 -4.24701987
H -4.90481748 4.45804436 -3.80709778
C -4.81076623 0.35284603 0.98088275
C -4.72824282 -0.59628622 1.99720175
C -6.01519864 0.99313682 0.72310931
C -5.84575668 -0.90335042 2.74740194
H -3.77995801 -1.08551430 2.17994997
C -7.13269408 0.68026239 1.47930833
H -6.07916350 1.73045486 -0.06603361
C -7.04975097 -0.26455836 2.48802013
H -5.78279334 -1.64055729 3.53403453
H -8.07125646 1.17626846 1.27870100
H -7.92487320 -0.50484670 3.07350333
C 0.59193475 4.16844963 1.27013913
C -0.64943893 4.76194886 1.08295357
C 1.31307885 4.41666490 2.43328346
C -1.16819368 5.59850757 2.05463975
H -1.19838656 4.56254880 0.17437325
C 0.79229052 5.25877849 3.39757216
H 2.27030874 3.93741695 2.58149218
C -0.44680565 5.85090520 3.20944913
H -2.13614003 6.05682366 1.91093054
H 1.35141152 5.45272599 4.30140912
H -0.85212924 6.50595088 3.96659686
C 2.36396804 4.30190399 -0.96348053
C 3.10954789 3.75615548 -2.00589872
C 2.42886098 5.66436224 -0.70315158
C 3.91557839 4.56873028 -2.77823894
H 3.04842899 2.69165423 -2.19169729
C 3.23907798 6.47403029 -1.48162295
H 1.84994580 6.09031340 0.10533214
C 3.98026878 5.92959660 -2.51658751
H 4.49488377 4.14539848 -3.58536111
H 3.29029932 7.53397652 -1.27869995
H 4.60983143 6.56616005 -3.12062364
C 3.33538381 -4.48063301 0.52043178
C 4.44675300 -3.70233477 0.83141772
C 3.38730367 -5.85806815 0.70910342
C 5.59195671 -4.29589867 1.32759348
H 4.40977432 -2.63521291 0.66588185
C 4.53618920 -6.44662312 1.20739295
H 2.53175475 -6.47163004 0.45939399
C 5.63768622 -5.66781653 1.52010576
H 6.45296277 -3.68827278 1.56453493
H 4.57041134 -7.51673813 1.35191738
H 6.53239082 -6.13028570 1.90994239
C 0.89492240 -5.02664961 -0.83191106
C -0.25655336 -5.54548028 -0.24920431
C 1.35403723 -5.55430838 -2.03508141
C -0.92497644 -6.59487982 -0.85351081
H -0.63331831 -5.11658731 0.66796815
C 0.67896747 -6.60048531 -2.63651894
H 2.23392349 -5.13883654 -2.50440045
C -0.45763159 -7.12708185 -2.04406984
H -1.81859046 -6.99348334 -0.39575505
H 1.03932813 -7.00549375 -3.57094948
H -0.98280781 -7.94515699 -2.51495247
130
conf 33  E=-192.86474984 Eh  dE=0.115 kcal/mol  pop=1.04%
Ir -0.38719921 0.07801443 -0.01736647
C -1.75858863 0.83652682 1.44323385
C -1.24769850 1.49890968 2.58408054
C -3.16105311 0.95789522 1.36061749
C -2.01154276 2.16119519 3.52065729
H -0.18057460 1.49137730 2.75351204
C -3.96126770 1.64368407 2.28672088
C -3.39062683 2.24631442 3.38025837
H -1.53152400 2.63037217 4.37045168
H -3.99649819 2.77782099 4.10079974
C -1.83958483 -0.40818938 -1.51485571
C -3.23837743 -0.25146178 -1.46368348
C -1.43403065 -0.99645711 -2.73564349
C -4.11893610 -0.53127496 -2.51936884
C -2.27497739 -1.29128545 -3.78769463
H -0.38999890 -1.23294790 -2.87818785
C -3.63717751 -1.03301320 -3.70353947
H -1.86773767 -1.72307825 -4.69330442
H -4.29980382 -1.23662562 -4.53298193
C -0.64182200 -1.91600621 0.54981974
C -1.86938020 -2.32703184 1.10617950
C 0.28891001 -2.96720463 0.46467538
C -2.14413055 -3.60641578 1.53464170
H -2.64869333 -1.58201553 1.22630152
C 0.03324115 -4.28459829 0.87040436
C -1.18751577 -4.60916475 1.41295415
H -3.11012756 -3.83697674 1.96617309
H -1.39782026 -5.61899210 1.73626855
C 1.13510402 -0.30051883 -1.41168247
C 2.08576938 -1.33972515 -1.36036686
C 1.32444095 0.54468191 -2.53209318
C 3.12765288 -1.50958472 -2.28339041
C 2.31892985 0.37635868 -3.47172559
H 0.61126861 1.33972365 -2.70464534
C 3.25565175 -0.64230039 -3.34174034
H 2.37176625 1.04101856 -4.32433170
H 4.04623993 -0.76708882 -4.06815118
C -0.36463533 2.10403374 -0.56259876
C -1.53126772 2.72077661 -1.05906487
C 0.72019531 2.99512169 -0.47569151
C -1.61529514 4.04455711 -1.43025310
H -2.42249839 2.11272740 -1.17413515
C 0.66094148 4.35087808 -0.82853684
C -0.51107384 4.88194117 -1.31166893
H -2.54570640 4.44168512 -1.81736206
H -0.57194491 5.92459427 -1.59047234
C 1.17869914 0.23006785 1.36989376
C 2.29786108 1.08147881 1.27134783
C 1.24656274 -0.61692657 2.50206243
C 3.38917696 1.06457832 2.15121082
C 2.29246073 -0.62720418 3.40007068
H 0.40545546 -1.26389023 2.71337318
C 3.39822963 0.19496597 3.21527554
H 2.25494273 -1.27997818 4.26276781
H 4.22914719 0.17348907 3.90632657
H -5.03116941 1.72445702 2.12783838
H -5.18132277 -0.34998413 -2.39986759
H 0.79260063 -5.04980417 0.74666141
H 3.81575129 -2.34239684 -2.17766343
H 1.53408135 4.98393142 -0.70949924
H 4.21409190 1.75505890 2.00645969
P -4.10712658 0.21817071 0.03065020
P 2.31787889 2.44747310 0.11271339
P 1.92738270 -2.68893008 -0.19271249
C -5.43651640 1.38373244 -0.40600442
C -5.14893566 2.74482198 -0.45831928
C -6.71099444 0.93816135 -0.74289561
C -6.12318820 3.64501624 -0.84682408
H -4.16471660 3.09148108 -0.17733103
C -7.68153388 1.84391868 -1.13285350
H -6.94772353 -0.11645851 -0.69085218
C -7.38922485 3.19651522 -1.18876245
H -5.89566992 4.70044053 -0.88154871
H -8.66902033 1.49175154 -1.39374635
H -8.14902556 3.90064789 -1.49419109
C -5.03403144 -1.25522964 0.59159118
C -4.90317941 -2.47026034 -0.07335633
C -5.86518552 -1.16938399 1.70460672
C -5.60907000 -3.57742372 0.36061598
H -4.23987234 -2.54720526 -0.92240963
C -6.56523568 -2.28079490 2.13657144
H -5.96384381 -0.23355629 2.23483166
C -6.44235752 -3.48558160 1.46329356
H -5.50258781 -4.51698043 -0.16160220
H -7.20865936 -2.20700175 3.00120519
H -6.99121308 -4.35215087 1.80169562
C 2.96077158 3.84693691 1.08041480
C 2.17358874 4.25494335 2.15483031
C 4.16130874 4.49227354 0.81560549
C 2.58446268 5.30318929 2.95390861
H 1.23965369 3.74144312 2.34382100
C 4.56783446 5.54336255 1.62073827
H 4.77490694 4.17689105 -0.01756128
C 3.78300643 5.94887765 2.68665960
H 1.97305929 5.62090786 3.78545143
H 5.50093496 6.04686318 1.41314154
H 4.10457627 6.76973262 3.31051472
C 3.54603040 2.26295446 -1.21454693
C 4.59933906 1.37057234 -1.06573928
C 3.47329615 3.07039236 -2.34491654
C 5.57436845 1.28423478 -2.04319946
H 4.64599105 0.75195509 -0.18155440
C 4.45486533 2.98540126 -3.31408920
H 2.64126621 3.74954123 -2.46448308
C 5.50592403 2.09403601 -3.16439069
H 6.39144826 0.58621550 -1.92990493
H 4.40046624 3.61341410 -4.19149826
H 6.26972223 2.02843379 -3.92530255
C 3.21785533 -2.68189193 1.08717747
C 4.40125207 -1.98768156 0.87188018
C 3.05113543 -3.42602348 2.25033034
C 5.41382047 -2.03945589 1.81281519
H 4.52010917 -1.41469510 -0.03609367
C 4.07018691 -3.48166389 3.18247235
H 2.11996641 -3.94619707 2.42341391
C 5.25186370 -2.79068658 2.96477989
H 6.33252048 -1.49520877 1.64695299
H 3.94321240 -4.06288500 4.08426007
H 6.04499618 -2.83456806 3.69667996
C 2.29259647 -4.18361491 -1.16097484
C 1.40308155 -4.46476981 -2.19547595
C 3.37524732 -5.02103245 -0.92874423
C 1.59553617 -5.57812525 -2.98874152
H 0.56373616 -3.80073093 -2.35799263
C 3.56280625 -6.13645568 -1.72819316
H 4.06672995 -4.80372829 -0.12569083
C 2.67668191 -6.41555361 -2.75468855
H 0.90472754 -5.79756887 -3.78927170
H 4.40396986 -6.78978797 -1.54709709
H 2.82753654 -7.28757258 -3.37369856
130
conf 34  E=-192.86472637 Eh  dE=0.129 kcal/mol  pop=1.02%
Ir -0.41526826 -0.00466878 0.04336660
C -1.78498970 0.77156625 1.49669708
C -1.29866395 1.42083231 2.65459987
C -3.19375594 0.77882079 1.45759183
C -2.08884363 1.93145445 3.66299356
H -0.23100007 1.52862835 2.77913197
C -4.02401458 1.27010598 2.47617693
C -3.47316533 1.83915314 3.59864780
H -1.62485779 2.40168525 4.52089815
H -4.09873788 2.21139933 4.39792882
C -1.88758211 -0.81411694 -1.29339104
C -3.29130434 -0.81409903 -1.16281058
C -1.46712181 -1.67344026 -2.33655125
C -4.17050591 -1.57710453 -1.94750486
C -2.30771703 -2.41452360 -3.13823488
H -0.41031479 -1.76674608 -2.53971072
C -3.68295341 -2.38242465 -2.94659387
H -1.89161062 -3.03908127 -3.91914617
H -4.34884407 -2.97670582 -3.55674943
C -0.55653523 -1.94651475 0.82896068
C -1.73631573 -2.36902258 1.47605075
C 0.43056860 -2.94740059 0.80466904
C -1.91271945 -3.61259945 2.04146182
H -2.55689944 -1.66474019 1.55377291
C 0.27417978 -4.22820573 1.35401031
C -0.90073909 -4.56488402 1.98245776
H -2.84438326 -3.85555358 2.53780355
H -1.03471792 -5.54590971 2.41626739
C 1.05771563 -0.45263652 -1.38020104
C 2.05759284 -1.44035215 -1.27686968
C 1.14142994 0.27301466 -2.59280193
C 3.05279033 -1.66575358 -2.23814043
C 2.09055595 0.04726839 -3.56674397
H 0.38284159 1.01496661 -2.80368219
C 3.08110991 -0.91084307 -3.38644681
H 2.06492105 0.61854779 -4.48574831
H 3.83617266 -1.07910532 -4.14137476
C -0.49953875 1.94564442 -0.69076648
C -1.71542571 2.43611877 -1.20427662
C 0.52789583 2.90658228 -0.72424904
C -1.90261342 3.71200023 -1.68623359
H -2.56063513 1.75550942 -1.23973037
C 0.36599584 4.21836686 -1.19066012
C -0.85469835 4.62734129 -1.67368555
H -2.86891100 4.00884370 -2.07436968
H -0.99507160 5.63568851 -2.03701981
C 1.19679085 0.35974180 1.33612578
C 2.27146616 1.24167924 1.10207013
C 1.35944080 -0.37555051 2.53525547
C 3.40569014 1.34806119 1.91961894
C 2.44738316 -0.26089303 3.37390333
H 0.55981658 -1.03314683 2.84934427
C 3.50574989 0.58316100 3.05666394
H 2.48032495 -0.83095043 4.29349310
H 4.37010183 0.65829988 3.70131304
H -5.10203672 1.19261099 2.37948345
H -5.23708308 -1.55361846 -1.74931040
H 1.07387699 -4.95721298 1.27359163
H 3.78354594 -2.45439491 -2.08924125
H 1.19848163 4.91368343 -1.16014387
H 4.19202443 2.05252423 1.66733238
P -4.13078835 0.20905921 0.04087310
P 2.17750380 2.49160988 -0.17686687
P 2.01800637 -2.66510794 0.03031325
C -4.92577979 1.65256533 -0.75452185
C -4.90315527 2.90679039 -0.15303650
C -5.56030840 1.49193053 -1.98269849
C -5.53210581 3.97780171 -0.76178338
H -4.38115982 3.04376751 0.78288874
C -6.18338325 2.56756134 -2.58833476
H -5.55490004 0.52807752 -2.47013635
C -6.17783034 3.81038256 -1.97592823
H -5.51248656 4.94861323 -0.28834431
H -6.67342277 2.43609008 -3.54206731
H -6.66750183 4.64869380 -2.44938652
C -5.56244838 -0.74189871 0.64545698
C -5.38540410 -2.08609232 0.96196229
C -6.80810565 -0.15119436 0.82961762
C -6.44104107 -2.82629396 1.45915166
H -4.42232257 -2.54773586 0.79780820
C -7.86158438 -0.89761327 1.32793271
H -6.95690679 0.88985090 0.57471978
C -7.68002966 -2.23330660 1.64518219
H -6.29935776 -3.86996102 1.69886858
H -8.82771604 -0.43444400 1.46655323
H -8.50501288 -2.81299447 2.03218704
C 2.82035464 3.99847977 0.61167869
C 3.97074904 4.66076215 0.20417769
C 2.09498222 4.47051407 1.70326382
C 4.38982907 5.79110622 0.88600682
H 4.53614522 4.29561157 -0.64259481
C 2.51805134 5.59773146 2.37895736
H 1.20035717 3.94079061 2.00444876
C 3.66735913 6.25891258 1.97042569
H 5.28452385 6.30688374 0.56859200
H 1.95566815 5.96423434 3.22488709
H 3.99979991 7.14011531 2.49896749
C 3.32867485 2.22118790 -1.55646625
C 3.14848028 2.90936481 -2.75194112
C 4.42766613 1.38875575 -1.39244829
C 4.06953262 2.76584668 -3.77208260
H 2.28106168 3.54156129 -2.87856034
C 5.34157791 1.24271914 -2.42058081
H 4.55684396 0.86372746 -0.45729210
C 5.16632692 1.93405229 -3.60762699
H 3.93237590 3.30107620 -4.70051978
H 6.19428298 0.59077155 -2.29597795
H 5.88239837 1.82204593 -4.40849345
C 3.37712328 -2.47327356 1.22194699
C 4.51437843 -1.76301327 0.85934737
C 3.31199545 -3.09060137 2.46637136
C 5.58187130 -1.67337453 1.73421913
H 4.55317794 -1.28774706 -0.10936902
C 4.38611333 -3.00603519 3.33242991
H 2.41585208 -3.62173866 2.75350525
C 5.52131346 -2.29979225 2.96777642
H 6.46444085 -1.11675456 1.45276823
H 4.33777133 -3.48831327 4.29806160
H 6.35769263 -2.23410791 3.64812362
C 2.39705128 -4.23653658 -0.80202929
C 1.45943976 -4.66518417 -1.73895866
C 3.53221780 -4.99745265 -0.55719052
C 1.65679167 -5.84847625 -2.42228245
H 0.57824912 -4.06088204 -1.91202246
C 3.72387221 -6.18397704 -1.24560716
H 4.26110736 -4.66600333 0.17032393
C 2.78999187 -6.60967248 -2.17490290
H 0.92831659 -6.18222026 -3.14626284
H 4.60557064 -6.77810320 -1.05356389
H 2.94381720 -7.53696872 -2.70680239
130
conf 35  E=-192.86471890 Eh  dE=0.134 kcal/mol  pop=1.01%
Ir -0.37594520 0.11368103 -0.02164448
C -1.73217816 1.08910885 1.32098877
C -1.20246291 1.90969629 2.34459354
C -3.13004628 1.24056797 1.20915342
C -1.94449040 2.75462064 3.14121080
H -0.13834587 1.88122920 2.53225114
C -3.90742219 2.10942344 1.98974631
C -3.31711710 2.87471455 2.96480481
H -1.45212741 3.34205629 3.90634118
H -3.90304524 3.55224085 3.57017533
C -1.84449104 -0.53161186 -1.44433256
C -3.24629317 -0.41139691 -1.37116136
C -1.45151568 -1.24762711 -2.59957164
C -4.14559320 -0.86405557 -2.34893896
C -2.31067219 -1.71284824 -3.57221282
H -0.40237572 -1.45024970 -2.75461836
C -3.68056499 -1.50789183 -3.46907844
H -1.91215819 -2.23957116 -4.43030602
H -4.35971659 -1.85237073 -4.23632440
C -0.66558039 -1.79614957 0.77379156
C -1.88553333 -2.10213560 1.40864624
C 0.23338122 -2.87783517 0.78742460
C -2.18245611 -3.31479547 1.98936249
H -2.63689382 -1.32182917 1.46729599
C -0.04751242 -4.13275428 1.34572283
C -1.26006609 -4.35560457 1.95404170
H -3.13885983 -3.46307250 2.47479775
H -1.48923390 -5.31549851 2.39515525
C 1.13800106 -0.44606345 -1.36673780
C 2.05402541 -1.50641189 -1.21875802
C 1.35184299 0.28217926 -2.56289989
C 3.08390057 -1.80018474 -2.12425637
C 2.33727336 -0.00638030 -3.48256096
H 0.66575256 1.08105694 -2.81041072
C 3.23785428 -1.04133539 -3.25952646
H 2.41052498 0.57503165 -4.39254147
H 4.01990830 -1.26196882 -3.97225513
C -0.30740584 2.06299725 -0.79031527
C -1.45460902 2.63677493 -1.37608761
C 0.78572003 2.94796318 -0.76454461
C -1.51688129 3.92206728 -1.86737159
H -2.34406134 2.02192437 -1.46228007
C 0.74795845 4.26582511 -1.24169290
C -0.40912387 4.76018932 -1.79480394
H -2.43254483 4.28941020 -2.31468663
H -0.45534522 5.77472481 -2.16515180
C 1.18451075 0.38392230 1.35383400
C 2.32799179 1.18598607 1.16592549
C 1.22988085 -0.33777633 2.57047032
C 3.42574492 1.22271776 2.03692176
C 2.28329922 -0.29288755 3.45844790
H 0.36809471 -0.92735462 2.85344726
C 3.41653606 0.46381629 3.18247414
H 2.23016344 -0.84987733 4.38511995
H 4.25435265 0.48095117 3.86526986
H -4.97315944 2.19897219 1.80663779
H -5.21044859 -0.70252920 -2.21954663
H 0.68642397 -4.93008151 1.28930542
H 3.74137872 -2.64456902 -1.94239304
H 1.62540661 4.89934768 -1.16295062
H 4.27123576 1.86740412 1.81864760
P -4.09447259 0.28087725 0.04570676
P 2.37200300 2.43439003 -0.11720483
P 1.86783534 -2.72294976 0.08178496
C -5.44413717 1.33827393 -0.56948566
C -5.15474837 2.64964104 -0.93581512
C -6.73346044 0.84567179 -0.74464645
C -6.14118843 3.45298167 -1.47580038
H -4.15792090 3.03609846 -0.77981669
C -7.71725357 1.65489480 -1.28498538
H -6.97066224 -0.16861902 -0.45191640
C -7.42266836 2.95631738 -1.65529589
H -5.91152114 4.47006389 -1.75773556
H -8.71663242 1.26664736 -1.41812858
H -8.19219304 3.58393434 -2.07989550
C -5.00291200 -1.07009887 0.87865185
C -5.71680220 -0.79856763 2.04205926
C -4.98582156 -2.36444520 0.36970431
C -6.41973605 -1.80647097 2.67607028
H -5.71609952 0.20008396 2.45409493
C -5.69393881 -3.36756016 1.00630248
H -4.40753221 -2.58428971 -0.51587655
C -6.41503419 -3.09099911 2.15632202
H -6.97251964 -1.58982334 3.57858380
H -5.67691885 -4.37053810 0.60550116
H -6.96653021 -3.87645737 2.65195955
C 3.04372112 3.90112057 0.72153016
C 2.25624884 4.43082150 1.74124868
C 4.27599778 4.47033207 0.42936194
C 2.69929776 5.52300593 2.46020776
H 1.29740984 3.97511395 1.95218614
C 4.71479178 5.56586655 1.15428246
H 4.88923255 4.05983540 -0.36170122
C 3.93076353 6.09089275 2.16745700
H 2.08835085 5.93404740 3.25017133
H 5.67347938 6.00931534 0.92719179
H 4.27921401 6.94404281 2.73058970
C 3.59421782 2.09022150 -1.41759354
C 4.60843096 1.17015795 -1.18714897
C 3.55179350 2.79278878 -2.61737894
C 5.57507606 0.95204151 -2.15205611
H 4.62948996 0.63225678 -0.25080103
C 4.52418939 2.57484702 -3.57507340
H 2.74982919 3.49411503 -2.79885306
C 5.53629351 1.65628838 -3.34377282
H 6.36155506 0.23253281 -1.97469543
H 4.49286573 3.11941095 -4.50766179
H 6.29225221 1.48629343 -4.09630978
C 3.17164723 -2.60784551 1.34309950
C 4.37427138 -1.98375016 1.03703567
C 2.99307200 -3.19547175 2.59081313
C 5.39388743 -1.95129571 1.97100124
H 4.50302988 -1.53101440 0.06474575
C 4.01928779 -3.16838667 3.51661690
H 2.04777296 -3.65950680 2.83302546
C 5.21984841 -2.54853370 3.20821878
H 6.32741056 -1.46180639 1.73313988
H 3.88262084 -3.62834431 4.48451175
H 6.01836000 -2.52694810 3.93524278
C 2.17853681 -4.32182267 -0.72437478
C 1.28385513 -4.67298195 -1.73266761
C 3.22322662 -5.17422620 -0.39352504
C 1.43485587 -5.87031306 -2.40331633
H 0.47431017 -3.99557502 -1.97282502
C 3.36843352 -6.37437178 -1.06947895
H 3.91778571 -4.90176925 0.38986667
C 2.47809521 -6.72247555 -2.07108260
H 0.74099950 -6.14371775 -3.18437911
H 4.17958181 -7.03973181 -0.81158148
H 2.59608264 -7.66009354 -2.59387464
130
conf 36  E=-192.86469830 Eh  dE=0.147 kcal/mol  pop=0.99%
Ir 0.18362998 0.30841595 -0.00063177
C -1.32589200 1.48418747 0.85359142
C -1.00154367 2.71094833 1.46843307
C -2.70418529 1.20722288 0.89979648
C -1.91712916 3.55167678 2.06224057
H 0.04062534 3.01232301 1.49606529
C -3.66285648 2.05318142 1.47531157
C -3.27068957 3.23150386 2.06469925
H -1.58381054 4.47045863 2.52865492
H -3.99711868 3.89203024 2.51704628
C -1.07474713 -0.71116562 -1.33793592
C -2.43159037 -1.03292321 -1.13480481
C -0.58521061 -1.20591104 -2.57098372
C -3.20938445 -1.79396403 -2.01908997
C -1.33966007 -1.92724640 -3.47141351
H 0.42751258 -0.95910584 -2.86072802
C -2.66007202 -2.25835130 -3.19003571
H -0.90316367 -2.23806156 -4.41187190
H -3.24845864 -2.83932210 -3.88623251
C -0.29992092 -1.23061947 1.34400434
C -0.93792640 -0.95394377 2.57728148
C -0.11877253 -2.61266440 1.13550523
C -1.35186700 -1.91943830 3.46988970
H -1.06497441 0.07921163 2.87216759
C -0.55974230 -3.61402921 2.01224771
C -1.19501686 -3.27022249 3.18130974
H -1.80147038 -1.62603145 4.40978087
H -1.53561168 -4.02954621 3.87120087
C 1.82841317 -0.66960046 -0.84791412
C 2.07906643 -2.05354786 -0.88235203
C 2.85157476 0.08056057 -1.46264766
C 3.22372638 -2.63641598 -1.44419974
C 3.97527413 -0.46467227 -2.04379527
H 2.74492494 1.16016122 -1.50060199
C 4.17859347 -1.84066010 -2.03150256
H 4.70899834 0.18028626 -2.51117955
H 5.06488294 -2.27493620 -2.47256314
C 0.27385245 1.94818028 -1.36799970
C -0.66092512 2.01987012 -2.42846790
C 1.08131062 3.10096003 -1.31731071
C -0.74288644 3.04750029 -3.34252620
H -1.36808162 1.21290139 -2.55241118
C 1.01880388 4.16332710 -2.23171000
C 0.11328288 4.13863120 -3.26232996
H -1.48413428 3.00626513 -4.13084942
H 0.05989036 4.94834205 -3.97646970
C 1.67264841 1.01755956 1.35648060
C 2.42783727 2.20488405 1.30063481
C 2.08029393 0.19755208 2.43544528
C 3.40709543 2.57706987 2.23365032
C 3.04148021 0.53400289 3.36384458
H 1.60849587 -0.76615052 2.56132679
C 3.71179476 1.74841114 3.28436717
H 3.27726277 -0.15464939 4.16551964
H 4.45841477 2.02647157 4.01494952
H -4.71396968 1.78533753 1.44549640
H -4.25182876 -1.99321824 -1.79131899
H -0.37677761 -4.65829674 1.77963280
H 3.36210906 -3.71197395 -1.40592276
H 1.67683187 5.01600813 -2.11603143
H 3.93168941 3.51820047 2.11948482
P -3.36536443 -0.30347013 0.20816870
P 2.29071713 3.40197112 -0.02767162
P 0.90281552 -3.21760174 -0.20534207
C -4.94461136 0.18682386 -0.54798340
C -6.17593818 -0.35692495 -0.20796606
C -4.86413735 1.16619055 -1.53536812
C -7.32073804 0.08197034 -0.85245038
H -6.23978097 -1.11781753 0.55840969
C -6.00888615 1.59917617 -2.17435345
H -3.89546909 1.58017454 -1.78440082
C -7.23912693 1.05665366 -1.83236495
H -8.27977226 -0.33889158 -0.58710922
H -5.94628308 2.35982464 -2.93837026
H -8.13561092 1.39510703 -2.33055565
C -3.85239292 -1.51295418 1.47454532
C -4.28663825 -1.08130811 2.72340554
C -3.85241013 -2.86809349 1.17086405
C -4.72674473 -2.00338142 3.65422718
H -4.26468871 -0.02781498 2.96283440
C -4.28586577 -3.78676535 2.10959618
H -3.51437905 -3.19105153 0.19718297
C -4.72834129 -3.35543606 3.34878838
H -5.06705513 -1.66889705 4.62348636
H -4.28127111 -4.84132030 1.87404163
H -5.07044060 -4.07309402 4.07991315
C 1.93316058 5.06163381 0.63916322
C 2.93086553 5.84901563 1.20702829
C 0.62374710 5.53404875 0.61272784
C 2.61909565 7.08201279 1.75078304
H 3.95838660 5.51133435 1.20818781
C 0.31799698 6.76749496 1.15699338
H -0.15009084 4.93473363 0.15521999
C 1.31270085 7.54181144 1.73175203
H 3.39999546 7.68731414 2.18779025
H -0.70050055 7.12632756 1.12966355
H 1.07294956 8.50502555 2.15744695
C 3.96463112 3.58985158 -0.73070917
C 4.33163857 4.73804825 -1.42744331
C 4.88093842 2.54990277 -0.60119160
C 5.58828054 4.83606805 -1.99615001
H 3.64454980 5.56841166 -1.51207670
C 6.13702639 2.65418851 -1.16963909
H 4.60683870 1.66277484 -0.04877016
C 6.49199346 3.79348571 -1.87317674
H 5.86386822 5.73123257 -2.53465564
H 6.84127958 1.84226657 -1.06163439
H 7.47232911 3.87318452 -2.31932976
C 1.91164197 -4.53012718 0.54660556
C 2.79399921 -4.12297243 1.54464984
C 1.82863391 -5.87180623 0.19846907
C 3.58823339 -5.05254377 2.18598638
H 2.84590698 -3.07249960 1.80042381
C 2.62840693 -6.79918674 0.84534154
H 1.14341819 -6.19011511 -0.57576696
C 3.50553738 -6.39259655 1.83637528
H 4.27323684 -4.73682302 2.95880452
H 2.56512325 -7.84300862 0.57357285
H 4.12635204 -7.12041501 2.33753558
C -0.04096309 -4.09455522 -1.48721043
C -1.30894976 -4.58251463 -1.20025140
C 0.53369756 -4.34008408 -2.72980848
C -1.99941035 -5.31246715 -2.15085607
H -1.74265039 -4.38710161 -0.23046978
C -0.15783120 -5.07717141 -3.67252494
H 1.51243532 -3.94107024 -2.95491474
C -1.42297913 -5.56484378 -3.38441678
H -2.98799029 -5.68816764 -1.92901851
H 0.28831393 -5.27054248 -4.63728074
H -1.96123749 -6.13826895 -4.12473818
130
conf 37  E=-192.86469474 Eh  dE=0.149 kcal/mol  pop=0.99%
Ir 0.31592341 0.27179584 -0.06032113
C -1.16770417 1.53064015 0.69998181
C -0.80186959 2.77866521 1.24192396
C -2.55364029 1.30053858 0.76805178
C -1.68481815 3.68317466 1.78801801
H 0.25152437 3.03782302 1.25418448
C -3.48184394 2.21204782 1.29048322
C -3.04872502 3.40999354 1.80749590
H -1.31921650 4.61420651 2.20256480
H -3.75109839 4.12047273 2.22028371
C -0.96612129 -0.85381179 -1.28657804
C -2.33683380 -1.10281443 -1.07733796
C -0.47891257 -1.49288510 -2.45324888
C -3.13259127 -1.91572735 -1.89759058
C -1.24830413 -2.27081088 -3.29159431
H 0.54732262 -1.31813032 -2.74727498
C -2.58652003 -2.51593832 -3.00657959
H -0.80926803 -2.69447204 -4.18558106
H -3.18869825 -3.13743885 -3.65420766
C -0.17870814 -1.11790705 1.43442959
C -0.80486461 -0.71447123 2.63808228
C -0.04115313 -2.51796767 1.34892500
C -1.25967557 -1.58566548 3.60481697
H -0.89303743 0.34358982 2.84528081
C -0.52263460 -3.42522034 2.30299157
C -1.15502111 -2.96107990 3.43133262
H -1.70123495 -1.19774475 4.51390599
H -1.53134173 -3.64652589 4.17767349
C 1.94978074 -0.80760203 -0.81328388
C 2.19080798 -2.18718002 -0.68237094
C 2.98640014 -0.14007064 -1.49791074
C 3.34123235 -2.83765333 -1.15065355
C 4.11855347 -0.75510362 -1.98520532
H 2.88017244 0.92565992 -1.66956298
C 4.31436872 -2.12027516 -1.80447973
H 4.86645524 -0.17682381 -2.51404402
H 5.20773112 -2.60664448 -2.17049372
C 0.42707478 1.76725019 -1.59114034
C -0.43482845 1.70497752 -2.71145552
C 1.22119824 2.93046857 -1.62216076
C -0.46186848 2.62199568 -3.74048632
H -1.12774517 0.88063603 -2.79009215
C 1.22588193 3.87473488 -2.66043197
C 0.38929016 3.71963891 -3.73823076
H -1.15104756 2.48174971 -4.56386123
H 0.38779247 4.43365056 -4.54993491
C 1.88223490 1.05119184 1.17569660
C 2.70852541 2.17193152 0.94971410
C 2.36790641 0.25476202 2.23936708
C 3.88300165 2.45819519 1.66177645
C 3.50421953 0.52443884 2.97093294
H 1.81553451 -0.63251496 2.51533879
C 4.29009733 1.63243951 2.68036629
H 3.79652644 -0.14023155 3.77453876
H 5.19599424 1.83785582 3.23354030
H -4.54138212 1.97792294 1.27696631
H -4.18584651 -2.04838372 -1.67088476
H -0.37563245 -4.49129185 2.16107071
H 3.47027035 -3.90249554 -0.98663156
H 1.89385462 4.72800704 -2.61174588
H 4.48734744 3.31799224 1.39181593
P -3.25906546 -0.23579738 0.18872056
P 2.30568122 3.40894954 -0.27995906
P 0.98841103 -3.26377117 0.08814428
C -4.81717910 0.24396596 -0.61393405
C -4.69525789 1.13193526 -1.68029795
C -6.06946216 -0.21850613 -0.23315152
C -5.82089587 1.55477661 -2.35862128
H -3.70963627 1.48221299 -1.95911955
C -7.19480870 0.21021898 -0.91750694
H -6.16373501 -0.90812459 0.59509220
C -7.07243994 1.09371886 -1.97651401
H -5.72743465 2.24407745 -3.18465945
H -8.17049265 -0.14684686 -0.62137331
H -7.95366854 1.42493727 -2.50576221
C -3.77372290 -1.33202279 1.54394673
C -3.80195786 -2.70653185 1.34632666
C -4.18995279 -0.79721232 2.75836596
C -4.24854985 -3.54108913 2.35474531
H -3.47571687 -3.11139520 0.39954346
C -4.64354557 -1.63574749 3.75927726
H -4.14421757 0.27064989 2.91659869
C -4.67505267 -3.00670488 3.55882883
H -4.26643053 -4.61049492 2.20115230
H -4.97036687 -1.22082863 4.70158781
H -5.02729285 -3.65905123 4.34432340
C 1.62713350 4.92217472 0.49066605
C 0.47760192 5.52714405 -0.00644761
C 2.27122883 5.47318990 1.59449378
C -0.00574335 6.68200768 0.58160833
H -0.04170248 5.08457612 -0.84401944
C 1.78091238 6.62558275 2.18051379
H 3.15188821 4.99524317 1.99831240
C 0.64562399 7.23575382 1.67158982
H -0.89854549 7.14749263 0.19023311
H 2.28519612 7.04884305 3.03704329
H 0.26528402 8.13706555 2.12952682
C 3.86431538 4.00841687 -1.00731333
C 4.84388293 3.08184743 -1.35290109
C 4.06543047 5.35638466 -1.28751870
C 6.00505667 3.49947904 -1.97536068
H 4.69367498 2.03837913 -1.11612127
C 5.22968111 5.76858655 -1.91128822
H 3.31491642 6.08528855 -1.01134458
C 6.19829876 4.84219026 -2.25971752
H 6.76289652 2.77675049 -2.24003376
H 5.37974382 6.81659561 -2.12670041
H 7.10453526 5.16717068 -2.74912583
C 1.96309577 -4.50960340 0.98457351
C 2.84279246 -4.01761717 1.94610653
C 1.85253105 -5.87861664 0.78053564
C 3.60795009 -4.89057105 2.69361500
H 2.91709681 -2.94728637 2.08868623
C 2.62292014 -6.74897980 1.53359960
H 1.16887685 -6.26223231 0.03507124
C 3.49806635 -6.25813248 2.48757648
H 4.29141294 -4.50930823 3.43778715
H 2.53837425 -7.81423031 1.37415950
H 4.09624875 -6.94176366 3.07170944
C 0.05115380 -4.24453084 -1.12120030
C -1.24073933 -4.65959024 -0.82595555
C 0.65034123 -4.63188222 -2.31521440
C -1.93120452 -5.45643338 -1.72105670
H -1.69349496 -4.35243877 0.10532006
C -0.04233547 -5.43389602 -3.20241485
H 1.64903596 -4.29100274 -2.54814878
C -1.33190812 -5.84736600 -2.90671623
H -2.93840247 -5.77520723 -1.49400070
H 0.42182940 -5.73584936 -4.13006871
H -1.87127157 -6.47100126 -3.60444708
130
conf 38  E=-192.86468339 Eh  dE=0.156 kcal/mol  pop=0.97%
Ir 0.09524793 -0.39427935 -0.03722079
C -0.88118610 0.79270139 1.39061137
C -0.24194140 1.17269132 2.59490606
C -2.15502202 1.37986529 1.25404106
C -0.78203530 2.04370769 3.51664183
H 0.70952254 0.71994754 2.83978618
C -2.71141145 2.29301400 2.16052984
C -2.01471119 2.64602250 3.29116187
H -0.24452702 2.26124955 4.43077016
H -2.42931461 3.34766916 4.00126090
C -1.64510397 -1.30465585 -0.76942679
C -2.95960864 -0.81049254 -0.68686487
C -1.57998187 -2.57149078 -1.38522688
C -4.09337415 -1.50075560 -1.13839962
C -2.67391497 -3.26527012 -1.85358556
H -0.60299289 -3.02440079 -1.51617331
C -3.95393309 -2.73678309 -1.72326991
H -2.54348996 -4.23031030 -2.32805760
H -4.81847491 -3.28233394 -2.07471941
C -0.02971364 -2.08157150 1.27743976
C -0.98299529 -2.05835995 2.32273115
C 0.53592574 -3.36434899 1.12238730
C -1.32784374 -3.14309762 3.09954712
H -1.48576384 -1.12739861 2.54418329
C 0.18827034 -4.49103317 1.88289812
C -0.74984396 -4.38703661 2.87990728
H -2.06701013 -3.02985397 3.88296395
H -1.03139492 -5.24834136 3.46960721
C 1.35823162 -1.30923602 -1.50871484
C 1.97018827 -2.57772563 -1.47055930
C 1.75300682 -0.58451862 -2.65799786
C 2.79983866 -3.10226404 -2.47367470
C 2.57427412 -1.06769117 -3.65433480
H 1.38935751 0.42381607 -2.78807620
C 3.09766588 -2.35242449 -3.58484645
H 2.80923759 -0.44004609 -4.50491307
H 3.72643146 -2.74629588 -4.37108200
C -0.22594457 1.21280350 -1.35127742
C -0.99655692 1.04501275 -2.52812096
C 0.22852511 2.53742879 -1.19745867
C -1.27519263 2.05438008 -3.42445262
H -1.34395542 0.05214250 -2.78043823
C -0.06661767 3.58741022 -2.07910898
C -0.83342326 3.35219977 -3.19491879
H -1.84029151 1.83622591 -4.32143653
H -1.06181800 4.14857981 -3.88910705
C 1.91053235 0.30899223 0.71877196
C 2.38938815 1.63126195 0.73633231
C 2.80696198 -0.59693992 1.31928516
C 3.62823964 2.01660332 1.26754241
C 4.01764034 -0.24677135 1.87391894
H 2.51445347 -1.64024161 1.37231755
C 4.44851247 1.07568479 1.84356051
H 4.64101831 -1.00243051 2.33511755
H 5.40350794 1.35790399 2.26410093
H -3.70048848 2.70244063 1.98143260
H -5.08047580 -1.06721890 -1.01535507
H 0.63983982 -5.45381264 1.66727932
H 3.20418421 -4.10368294 -2.37131602
H 0.33399828 4.57926278 -1.89459732
H 3.94398877 3.05352037 1.21551436
P -3.29492584 0.80797551 -0.00320433
P 1.41057602 2.97232517 0.07506358
P 1.82853099 -3.68772659 -0.07272919
C -3.65445593 2.05110399 -1.27944335
C -3.37778591 3.39063606 -1.04024111
C -4.27078061 1.66926284 -2.46647731
C -3.71370095 4.34400138 -1.98444812
H -2.90127277 3.67338237 -0.11310624
C -4.61031776 2.62731067 -3.40289897
H -4.46721148 0.62336613 -2.65465715
C -4.33347085 3.96425917 -3.16316521
H -3.49432689 5.38604186 -1.80077284
H -5.08979659 2.33237998 -4.32501935
H -4.59760236 4.70977929 -3.89876427
C -4.87616800 0.64170313 0.87895127
C -4.91838015 -0.32943419 1.87669822
C -5.98805189 1.43799638 0.63821005
C -6.06668123 -0.50362048 2.62331405
H -4.04259002 -0.94179900 2.04852853
C -7.13650476 1.25895798 1.39116044
H -5.95669563 2.19378155 -0.13515431
C -7.17713870 0.29197582 2.38126566
H -6.09990913 -1.25779305 3.39558292
H -8.00166400 1.87849968 1.20398128
H -8.07517803 0.15774955 2.96598654
C 0.68856736 4.02214287 1.37128529
C -0.47104251 4.74094031 1.11022973
C 1.32435897 4.15433536 2.60097033
C -0.98895944 5.59069535 2.07068279
H -0.95671783 4.63105855 0.15164235
C 0.80776186 5.01311353 3.55315222
H 2.21263617 3.57529214 2.80877585
C -0.34692833 5.73258296 3.28945402
H -1.89352448 6.14602202 1.86814565
H 1.30413447 5.11978222 4.50668088
H -0.74919253 6.40063648 4.03680398
C 2.61110365 4.05615706 -0.75314625
C 3.34889485 3.46588871 -1.77673341
C 2.81633700 5.38995213 -0.42736915
C 4.28759731 4.20674519 -2.46669322
H 3.17497995 2.42377661 -2.01283854
C 3.75978976 6.12746713 -1.12331813
H 2.24323975 5.84806954 0.36768294
C 4.49382597 5.53910561 -2.13927916
H 4.86147272 3.74920899 -3.25888613
H 3.92232497 7.16500100 -0.86979269
H 5.22910233 6.11913228 -2.67714045
C 3.46494268 -3.80469479 0.73513700
C 3.60047635 -4.56546885 1.89257536
C 4.57105509 -3.13935058 0.21705494
C 4.83180767 -4.67293082 2.51232943
H 2.74009594 -5.06632498 2.31199015
C 5.80091029 -3.25367651 0.83946651
H 4.46180179 -2.52343342 -0.66373760
C 5.93535042 -4.02245979 1.98403518
H 4.93070727 -5.26464081 3.41072502
H 6.65619270 -2.73434124 0.43241563
H 6.89667014 -4.10838115 2.46903837
C 1.58895607 -5.37500583 -0.71576728
C 2.66368583 -6.23392989 -0.92308943
C 0.30529851 -5.78492825 -1.06468028
C 2.45460836 -7.48505474 -1.47583338
H 3.66351793 -5.92747688 -0.64518722
C 0.10244014 -7.03596922 -1.61603357
H -0.52994495 -5.12338571 -0.88535789
C 1.17630918 -7.88677522 -1.82573539
H 3.29312573 -8.14774656 -1.63373129
H -0.89600631 -7.35038219 -1.88247578
H 1.01699540 -8.86363250 -2.25789504
130
conf 39  E=-192.86468161 Eh  dE=0.157 kcal/mol  pop=0.97%
Ir 0.20423045 -0.32082398 -0.01663034
C -0.93429498 0.78035776 1.36152936
C -0.39393410 1.18514134 2.60617664
C -2.23666281 1.27968397 1.15816556
C -1.05317967 1.98597727 3.51414663
H 0.57509438 0.80162555 2.89697873
C -2.91210445 2.12581488 2.04908132
C -2.31482180 2.49615299 3.22989681
H -0.58717662 2.22043834 4.46262280
H -2.82515375 3.14161821 3.93072532
C -1.42746856 -1.30026786 -0.88051959
C -2.77259193 -0.88741386 -0.89303642
C -1.23659031 -2.53850281 -1.52569082
C -3.82150438 -1.62715500 -1.45663034
C -2.24158802 -3.27544780 -2.11217207
H -0.22723971 -2.93474142 -1.58407099
C -3.55821324 -2.82812292 -2.07194614
H -2.00941127 -4.21185950 -2.60403146
H -4.35542975 -3.40889746 -2.51442123
C 0.17879403 -2.00670637 1.29567679
C -0.67827428 -2.01250535 2.42102460
C 0.88499542 -3.22007004 1.18243535
C -0.76334894 -3.03407820 3.34275145
H -1.31563002 -1.15699227 2.59199388
C 0.82685967 -4.27244176 2.10816605
C 0.01184449 -4.17921700 3.20894851
H -1.43867156 -2.94174506 4.18409234
H -0.03393757 -4.97668914 3.93722099
C 1.62624076 -1.09869912 -1.41363276
C 2.28626061 -2.34351158 -1.41071382
C 2.14660022 -0.24076445 -2.41206278
C 3.30742309 -2.70963160 -2.30063167
C 3.13752521 -0.57840280 -3.30755972
H 1.74473539 0.75807672 -2.49945513
C 3.73393143 -1.83231339 -3.26566428
H 3.46124245 0.14353963 -4.04693615
H 4.51736389 -2.10509485 -3.95861859
C -0.12223119 1.30858141 -1.30069119
C -0.78958793 1.14271428 -2.53821092
C 0.22839152 2.65186073 -1.05841440
C -1.07112327 2.17210510 -3.41097842
H -1.04851489 0.14116658 -2.85499310
C -0.07653824 3.71965180 -1.91424618
C -0.74230450 3.48473826 -3.09351152
H -1.55112307 1.95913469 -4.35745021
H -0.97697821 4.29586108 -3.76835780
C 1.94906677 0.44503176 0.86218957
C 2.33257132 1.79432503 0.96198496
C 2.89341816 -0.42773250 1.44104480
C 3.52069372 2.23795584 1.56022809
C 4.05743884 -0.02077797 2.05516470
H 2.68761106 -1.49248526 1.42300118
C 4.38809818 1.32874095 2.11708080
H 4.72277677 -0.75449195 2.49321964
H 5.30460115 1.65560960 2.58817123
H -3.91620152 2.46700582 1.81757731
H -4.84067271 -1.25898096 -1.39768491
H 1.42608914 -5.16224913 1.95188334
H 3.78304051 -3.67935497 -2.21234319
H 0.23681773 4.72705421 -1.65833951
H 3.76254804 3.29561300 1.57360006
P -3.25475309 0.68310788 -0.18901546
P 1.30149662 3.09944487 0.30431506
P 1.91749697 -3.63526889 -0.22308248
C -3.60184358 1.94119832 -1.45390084
C -3.43653116 3.28762032 -1.15766660
C -4.09862403 1.55839844 -2.69557640
C -3.76497362 4.24679797 -2.09856099
H -3.05193331 3.57145274 -0.18906336
C -4.43237780 2.52175465 -3.62856793
H -4.20734060 0.50855201 -2.92766904
C -4.26711917 3.86555127 -3.33144955
H -3.63159449 5.29435102 -1.87002087
H -4.81998992 2.22562410 -4.59255362
H -4.52601912 4.61537822 -4.06450998
C -4.87908196 0.38918739 0.57338611
C -4.91240434 -0.57847016 1.57480531
C -6.03624087 1.07778288 0.23464986
C -6.09567725 -0.85408361 2.23061214
H -3.99998284 -1.10527529 1.82292507
C -7.22025211 0.79633404 0.89578532
H -6.01217927 1.82990582 -0.54254044
C -7.25121088 -0.16522421 1.89152550
H -6.12154691 -1.60402615 3.00723130
H -8.12099519 1.33163764 0.63231470
H -8.17695834 -0.37868297 2.40515554
C 0.45033281 4.06012752 1.59141014
C 1.02919838 4.21219677 2.84699874
C -0.74483525 4.70324668 1.29677156
C 0.41779187 5.01289144 3.79321665
H 1.94775074 3.69205999 3.07926024
C -1.35639728 5.49646522 2.25072388
H -1.18455221 4.57869534 0.31795348
C -0.77320993 5.65688857 3.49631352
H 0.86880698 5.13432020 4.76788323
H -2.28814524 5.99360360 2.02169954
H -1.24879782 6.28035333 4.23913592
C 2.47826936 4.29015890 -0.40628205
C 2.57827161 5.61832840 -0.01432616
C 3.31509481 3.79319183 -1.40291167
C 3.51574623 6.44204831 -0.61516031
H 1.92931404 6.00569515 0.75951388
C 4.24658013 4.61977287 -1.99876488
H 3.22536440 2.75374472 -1.69186025
C 4.34833809 5.94580663 -1.60371422
H 3.59651686 7.47476872 -0.30787762
H 4.89698336 4.23376279 -2.76959216
H 5.07923970 6.59234372 -2.06651419
C 3.52221721 -4.26261125 0.37136591
C 3.70301393 -5.59904084 0.71494245
C 4.57688186 -3.36719410 0.52777822
C 4.91884928 -6.02875677 1.21602782
H 2.89973531 -6.31046641 0.57577640
C 5.78938045 -3.80238838 1.02861080
H 4.44494199 -2.33359933 0.24169581
C 5.96197339 -5.13220569 1.37780114
H 5.05245115 -7.06815485 1.47873617
H 6.60371480 -3.10207591 1.14376683
H 6.90968252 -5.47143769 1.76912052
C 1.17045304 -5.10539328 -1.01089054
C 1.88643981 -5.85364765 -1.94132049
C -0.13448476 -5.47443241 -0.69857549
C 1.30425616 -6.94987186 -2.55043493
H 2.90544472 -5.58958856 -2.18412846
C -0.71039329 -6.57471469 -1.30711010
H -0.69631850 -4.89514879 0.01969388
C 0.00480966 -7.31288028 -2.23555203
H 1.86769051 -7.52446459 -3.27118102
H -1.72311747 -6.85445225 -1.05600318
H -0.44702313 -8.17045588 -2.71194567
130
conf 40  E=-192.86467880 Eh  dE=0.159 kcal/mol  pop=0.97%
Ir -0.35253749 0.05593766 -0.01844208
C -1.75332078 1.07875589 1.23671837
C -1.26193033 1.92420097 2.25913462
C -3.14309489 1.23867804 1.05661107
C -2.02992262 2.80072338 2.99460557
H -0.20843329 1.88895279 2.49807717
C -3.94500858 2.13917770 1.77374811
C -3.39121560 2.92958229 2.75025325
H -1.56668893 3.40562537 3.76431850
H -3.99661690 3.63208472 3.30592881
C -1.76530489 -0.66840724 -1.45499275
C -3.16716190 -0.53102213 -1.45235348
C -1.32922192 -1.46165171 -2.54227116
C -4.02686544 -1.03348620 -2.44093119
C -2.14971452 -1.97939647 -3.52167610
H -0.27662743 -1.68492248 -2.63452139
C -3.51969738 -1.75132473 -3.49604233
H -1.72043035 -2.56598688 -4.32429924
H -4.16767988 -2.13516647 -4.27150900
C -0.66641596 -1.81567512 0.85310723
C -1.90944363 -2.09798874 1.45398745
C 0.23290635 -2.89310836 0.94495486
C -2.22433056 -3.28501188 2.07670478
H -2.66577477 -1.32017341 1.44804873
C -0.06544220 -4.12297063 1.54817871
C -1.29841901 -4.32236881 2.12260977
H -3.19814231 -3.41586925 2.53171750
H -1.54136280 -5.26229859 2.59804627
C 1.20575542 -0.55424113 -1.28806744
C 2.11635793 -1.60545487 -1.06320058
C 1.46381846 0.12666389 -2.50290600
C 3.17996355 -1.93285881 -1.91651884
C 2.48553166 -0.19416407 -3.37088746
H 0.78678702 0.91328501 -2.80787030
C 3.37786416 -1.21736476 -3.07298998
H 2.59476956 0.35253366 -4.29861002
H 4.18780378 -1.46300484 -3.74528392
C -0.27489094 1.97050975 -0.87380321
C -1.40317849 2.49878305 -1.53450502
C 0.80120532 2.87555803 -0.83736214
C -1.46287458 3.76013704 -2.08493897
H -2.27890063 1.86632984 -1.63501775
C 0.76235404 4.17313196 -1.36713514
C -0.37521793 4.62229540 -1.99435153
H -2.36110919 4.08922355 -2.59320439
H -0.42124419 5.61985447 -2.40828665
C 1.16910696 0.39481719 1.38871674
C 2.30645624 1.20650844 1.20498323
C 1.19565946 -0.29081389 2.62700429
C 3.38155844 1.28571429 2.10109936
C 2.22668915 -0.20526505 3.53810187
H 0.33488371 -0.88265738 2.90819989
C 3.35522776 0.56048110 3.26803860
H 2.15902351 -0.73686954 4.47866242
H 4.17515034 0.61032598 3.97065730
H -5.00011725 2.23430331 1.53991803
H -5.09406917 -0.85318634 -2.37157940
H 0.67061006 -4.92033366 1.55205055
H 3.83000385 -2.76850779 -1.67666349
H 1.62317559 4.82681169 -1.27178792
H 4.22232965 1.93705562 1.88390905
P -4.06686853 0.24504070 -0.11209977
P 2.37122844 2.41102333 -0.11807421
P 1.88694400 -2.76793407 0.27933169
C -5.37323838 1.29046219 -0.83148417
C -5.06405363 2.59605115 -1.20224620
C -6.64815996 0.79071769 -1.07859355
C -6.01652252 3.38638039 -1.81749282
H -4.08012565 2.98892742 -0.99039649
C -7.59717394 1.58627345 -1.69569648
H -6.90226682 -0.21782963 -0.78013639
C -7.28263734 2.88209608 -2.06963340
H -5.77221626 4.39971150 -2.10085665
H -8.58513439 1.19225703 -1.88510139
H -8.02517542 3.49952057 -2.55316140
C -5.02947850 -1.05717212 0.73730819
C -4.96503504 -2.38238838 0.31976968
C -5.83237003 -0.71760662 1.82221921
C -5.71165096 -3.34943333 0.96809796
H -4.32117607 -2.65380728 -0.50408137
C -6.57357055 -1.68933714 2.46877873
H -5.87344053 0.30660150 2.16305705
C -6.51927356 -3.00579382 2.03973866
H -5.65752295 -4.37652000 0.63787823
H -7.19571670 -1.41921422 3.30961857
H -7.10100625 -3.76302653 2.54462455
C 2.99762942 3.91847072 0.68228861
C 2.18477195 4.46056175 1.67525586
C 4.21493309 4.51386379 0.37973812
C 2.58828457 5.59077405 2.35786889
H 1.23791225 3.98399279 1.89412809
C 4.61348175 5.64806276 1.06746564
H 4.84750557 4.09402161 -0.39088144
C 3.80449980 6.18528136 2.05430486
H 1.95810870 6.01132244 3.12746633
H 5.55995520 6.11256747 0.83143933
H 4.12145697 7.06894725 2.58822550
C 3.63214354 2.03715638 -1.37224641
C 4.65164891 1.13873703 -1.08628245
C 3.61198069 2.70020559 -2.59501978
C 5.64599613 0.90397184 -2.01859512
H 4.65544900 0.63017375 -0.13339168
C 4.61196440 2.46610194 -3.51980107
H 2.80591802 3.38417327 -2.81951326
C 5.62976873 1.56988780 -3.23272841
H 6.43708545 0.20170709 -1.79816473
H 4.59799354 2.98112363 -4.46944376
H 6.40807681 1.38756360 -3.95912178
C 3.16338528 -2.60301499 1.56288976
C 4.35974261 -1.96173176 1.26790094
C 2.97060877 -3.16732420 2.81939927
C 5.36033687 -1.89227053 2.22021190
H 4.49864827 -1.52427037 0.29005557
C 3.97721122 -3.10125146 3.76448798
H 2.02918206 -3.64313212 3.05354905
C 5.17291751 -2.46716571 3.46596032
H 6.28967661 -1.39136398 1.98990066
H 3.82934765 -3.54242417 4.73946789
H 5.95686687 -2.41684698 4.20727743
C 2.20884462 -4.39752157 -0.45796764
C 3.26277855 -5.22608219 -0.09760623
C 1.31755431 -4.79418412 -1.45234458
C 3.42013636 -6.44831985 -0.72993975
H 3.95489533 -4.91792833 0.67471663
C 1.48018372 -6.01358353 -2.07887844
H 0.50089837 -4.13435325 -1.71625360
C 2.53270902 -6.84197259 -1.71714942
H 4.23879113 -7.09514468 -0.44959446
H 0.78849262 -6.32238229 -2.84859416
H 2.66034109 -7.79649012 -2.20598868
130
conf 41  E=-192.86467653 Eh  dE=0.161 kcal/mol  pop=0.97%
Ir 0.11663112 -0.38906896 -0.06975918
C -0.82298403 0.82432393 1.35822822
C -0.15264906 1.20281461 2.54604391
C -2.12300771 1.36323276 1.28122469
C -0.70109751 2.00717131 3.52213262
H 0.83081322 0.79397353 2.73618015
C -2.68823389 2.21178126 2.24337720
C -1.97171402 2.54859828 3.36699272
H -0.13974128 2.21932948 4.42294747
H -2.39789918 3.19324564 4.12273521
C -1.64327095 -1.29014293 -0.77740685
C -2.94601442 -0.76333343 -0.72993394
C -1.59823696 -2.56056791 -1.38827941
C -4.08324248 -1.41513102 -1.22859385
C -2.69411455 -3.21788602 -1.90235365
H -0.63547522 -3.05054606 -1.47888176
C -3.96009086 -2.64718470 -1.82485794
H -2.57419943 -4.18645885 -2.37226057
H -4.82617658 -3.16007511 -2.21904404
C -0.00814984 -2.02800324 1.31199544
C -0.93385290 -1.95243163 2.38004972
C 0.55131602 -3.31775103 1.20827274
C -1.24552006 -2.98958644 3.23185328
H -1.44290906 -1.01735673 2.56230385
C 0.23432811 -4.39994210 2.04462636
C -0.66417670 -4.24056405 3.07007533
H -1.96094645 -2.83185488 4.02951243
H -0.91682327 -5.06548936 3.72159730
C 1.30632019 -1.39056827 -1.54494474
C 1.85954964 -2.68584052 -1.49241206
C 1.66038076 -0.72793084 -2.74247508
C 2.58226619 -3.29439587 -2.52964151
C 2.38504547 -1.29210233 -3.77143670
H 1.34225004 0.29479582 -2.88287398
C 2.83709930 -2.60278642 -3.68889724
H 2.59621523 -0.71007289 -4.65969632
H 3.38112128 -3.06180804 -4.50261090
C -0.21441213 1.21429405 -1.38254456
C -0.99136313 1.05654513 -2.55572943
C 0.18480412 2.55203240 -1.18400169
C -1.33381657 2.08769767 -3.40418195
H -1.29576855 0.05853770 -2.84200145
C -0.18381109 3.62296180 -2.01065696
C -0.95943638 3.39657180 -3.12201977
H -1.89839509 1.87932794 -4.30388506
H -1.24560272 4.21009287 -3.77364653
C 1.96994248 0.30741854 0.58739908
C 2.45304065 1.62915854 0.58653262
C 2.91599205 -0.61247126 1.07814634
C 3.73959485 1.99914681 1.00188421
C 4.18110936 -0.28045515 1.50746513
H 2.62165440 -1.65576619 1.13853744
C 4.61204026 1.04182886 1.46326937
H 4.84714439 -1.04915212 1.87874296
H 5.60799064 1.31148306 1.78550117
H -3.70135576 2.57963910 2.11541054
H -5.06113172 -0.95455730 -1.13355492
H 0.67857310 -5.37380627 1.86658138
H 2.93238087 -4.31543702 -2.41769380
H 0.16502468 4.62615384 -1.78669124
H 4.05117890 3.03712524 0.94852067
P -3.27533900 0.82765653 0.01787528
P 1.40964198 2.97718545 0.05131278
P 1.77067440 -3.72529912 -0.03595544
C -3.66104921 2.13012461 -1.19010550
C -3.43329369 3.46053249 -0.86294887
C -4.24644507 1.80565124 -2.40907519
C -3.79187494 4.46148967 -1.74763522
H -2.97934240 3.70053544 0.08738814
C -4.61048519 2.81073736 -3.28552524
H -4.40118958 0.76845201 -2.66934703
C -4.38562646 4.13805462 -2.95608864
H -3.61077393 5.49602252 -1.49350422
H -5.06792906 2.55993677 -4.23153313
H -4.66925982 4.92050216 -3.64457902
C -4.84568687 0.58917282 0.90330695
C -4.85489673 -0.42797054 1.85516891
C -5.98868582 1.34647457 0.68532999
C -6.00140522 -0.68589462 2.57972773
H -3.95561663 -1.01088641 2.00725869
C -7.13571892 1.08254347 1.41548318
H -5.98340340 2.13636121 -0.05387685
C -7.14381931 0.06977693 2.35942755
H -6.00926338 -1.47664471 3.31519282
H -8.02633014 1.66975073 1.24447979
H -8.04201838 -0.13269622 2.92391239
C 0.75651259 3.95699105 1.43571069
C 1.49143990 4.06972412 2.61126815
C -0.43658629 4.65253036 1.29257789
C 1.03206688 4.87920273 3.63289118
H 2.41043708 3.51184636 2.72242677
C -0.89485465 5.45518164 2.32178079
H -0.99459050 4.55927401 0.37240783
C -0.15973331 5.57253636 3.48945115
H 1.60183974 4.96861858 4.54643765
H -1.82580618 5.99291947 2.21309805
H -0.51729902 6.20141449 4.29154049
C 2.52110384 4.14273070 -0.79290316
C 2.70067623 5.46507381 -0.40903425
C 3.20006260 3.64137599 -1.90110192
C 3.55754894 6.27899222 -1.13113912
H 2.17421929 5.85692117 0.45079136
C 4.05283280 4.45783381 -2.61693131
H 3.04760295 2.60760651 -2.18347936
C 4.23167633 5.77874003 -2.23209237
H 3.69777729 7.30768969 -0.83215772
H 4.57960414 4.06897579 -3.47571192
H 4.89770793 6.41858528 -2.79188244
C 3.44663186 -3.86724747 0.68499580
C 3.60689015 -4.46648815 1.93082037
C 4.56136286 -3.38148741 0.00903551
C 4.86875884 -4.59855194 2.48063689
H 2.74255034 -4.81715894 2.47538143
C 5.82134926 -3.52010888 0.56259119
H 4.43767761 -2.88360969 -0.94176932
C 5.97912048 -4.13328426 1.79480494
H 4.98604058 -5.06426495 3.44832476
H 6.68279153 -3.14172901 0.03172529
H 6.96416244 -4.23948851 2.22506363
C 1.42864647 -5.43371110 -0.56959974
C 0.10955090 -5.80170817 -0.82068340
C 2.44826239 -6.36038971 -0.75939098
C -0.18260187 -7.07939756 -1.25831525
H -0.68240204 -5.08604466 -0.65240277
C 2.14945168 -7.63874793 -1.19741117
H 3.47485058 -6.08547949 -0.55592557
C 0.83639166 -7.99953579 -1.44909069
H -1.20813568 -7.36104213 -1.44731708
H 2.94496968 -8.35566645 -1.34001208
H 0.60693340 -8.99873996 -1.78870191
130
conf 42  E=-192.86466734 Eh  dE=0.166 kcal/mol  pop=0.96%
Ir -0.35363491 -0.00197189 0.02633193
C -1.66921793 0.76017729 1.53780205
C -1.14237319 1.41802252 2.67420791
C -3.07786814 0.77889679 1.54503246
C -1.89470551 1.95046540 3.69945020
H -0.07128127 1.51672758 2.76889206
C -3.87097799 1.29992301 2.57896388
C -3.28161731 1.87853354 3.67606775
H -1.39801627 2.42485259 4.53661399
H -3.87869895 2.27435154 4.48564966
C -1.87148252 -0.79945524 -1.25843889
C -3.26862436 -0.81946418 -1.06536174
C -1.48400047 -1.64037997 -2.32819978
C -4.17036190 -1.59096166 -1.81383850
C -2.34917551 -2.39179194 -3.09360644
H -0.43482969 -1.70771568 -2.57945308
C -3.71425795 -2.38558535 -2.83630597
H -1.96146699 -3.00469887 -3.89792360
H -4.39707931 -2.98968151 -3.41738505
C -0.44738829 -1.96935274 0.74687253
C -1.61479783 -2.43780073 1.38401501
C 0.54178274 -2.96312859 0.63360766
C -1.78755041 -3.72551939 1.84158132
H -2.42630555 -1.73519934 1.54109151
C 0.38839595 -4.28559807 1.07309082
C -0.78317880 -4.67376582 1.67805601
H -2.71042202 -4.00884968 2.33302241
H -0.91823111 -5.69043873 2.01967820
C 1.09958929 -0.39219155 -1.43702559
C 2.16240527 -1.31130468 -1.32820077
C 1.15907626 0.35575112 -2.63720027
C 3.20599842 -1.43495624 -2.25600302
C 2.15596941 0.22789635 -3.58070666
H 0.35058450 1.03890933 -2.86068098
C 3.21715045 -0.64828296 -3.38259939
H 2.11416138 0.81309423 -4.49045370
H 4.01257912 -0.73270090 -4.10966055
C -0.48567249 1.94612785 -0.71413562
C -1.69839346 2.39138168 -1.27661794
C 0.51768459 2.93105722 -0.75050201
C -1.89817873 3.64384253 -1.81261543
H -2.52746306 1.69286679 -1.31371670
C 0.33933530 4.22298421 -1.26499613
C -0.87319542 4.58447347 -1.80254858
H -2.85747058 3.90193444 -2.24326506
H -1.02495592 5.57487998 -2.20823495
C 1.27417739 0.36352538 1.30189533
C 2.28554960 1.32930846 1.13046789
C 1.46980706 -0.41493763 2.46917704
C 3.38294197 1.49274340 1.98820596
C 2.52383825 -0.25339786 3.34259891
H 0.71770999 -1.14594657 2.73403778
C 3.51393329 0.69062645 3.09634057
H 2.58184461 -0.86409975 4.23433077
H 4.34875058 0.81064673 3.77232428
H -4.95214299 1.24348994 2.51145748
H -5.22747469 -1.58234862 -1.56920690
H 1.18663135 -5.00542286 0.92459576
H 3.99096991 -2.16731211 -2.09590953
H 1.15299778 4.94010836 -1.22961662
H 4.11347754 2.27128892 1.79191889
P -4.06682612 0.20378158 0.16761278
P 2.15987483 2.59367914 -0.13128613
P 2.14005626 -2.59382535 -0.07900357
C -4.87261335 1.65706053 -0.59598794
C -4.70312958 2.93201528 -0.06630819
C -5.65772539 1.48384128 -1.73194341
C -5.32971945 4.01495605 -0.65577798
H -4.07009262 3.07363165 0.79751486
C -6.27848633 2.57100481 -2.31905698
H -5.77566250 0.49921793 -2.16052098
C -6.12044240 3.83738821 -1.77929574
H -5.19376490 5.00252114 -0.23966123
H -6.88609032 2.43043665 -3.20113908
H -6.60647829 4.68536726 -2.23913117
C -5.48306410 -0.72345453 0.83958401
C -5.31378818 -2.06653589 1.16361878
C -6.70114510 -0.10306391 1.09901984
C -6.34811461 -2.77561747 1.74464278
H -4.37370115 -2.55100198 0.94255053
C -7.73298546 -0.81799311 1.68103996
H -6.84528684 0.93740888 0.83921112
C -7.55754627 -2.15214498 2.00838622
H -6.21214015 -3.81804678 1.99280239
H -8.67644329 -0.33079204 1.88040639
H -8.36419592 -2.70619336 2.46525361
C 2.66334771 4.13079021 0.69672540
C 1.84241271 4.54717438 1.74236381
C 3.78112446 4.87729732 0.34993455
C 2.13863300 5.70495784 2.43342354
H 0.97400797 3.95183905 1.99418930
C 4.07247480 6.03816691 1.04716209
H 4.41827787 4.55388285 -0.46239886
C 3.25480872 6.45187499 2.08505132
H 1.50153043 6.02958036 3.24272371
H 4.94076623 6.62155386 0.77718581
H 3.48628907 7.35877402 2.62384722
C 3.38536558 2.38269788 -1.45712421
C 4.52784577 1.62709720 -1.22617926
C 3.21150739 3.02057254 -2.68058491
C 5.49259160 1.51314928 -2.21061706
H 4.65375870 1.13640204 -0.27215200
C 4.18380793 2.91109792 -3.65715281
H 2.31066258 3.58821578 -2.86450300
C 5.32448403 2.15937145 -3.42379515
H 6.37857942 0.92116362 -2.03113543
H 4.05112241 3.40962916 -4.60630719
H 6.08038807 2.07327498 -4.19051029
C 3.44714672 -2.41334054 1.17044076
C 3.38922841 -3.15227339 2.34758975
C 4.53865114 -1.59315106 0.91791107
C 4.42342737 -3.07063943 3.26069802
H 2.52880998 -3.77542878 2.54606818
C 5.56694446 -1.50997151 1.83922418
H 4.57067458 -1.02684304 -0.00121323
C 5.51265842 -2.25133688 3.00762956
H 4.38108855 -3.64509028 4.17472292
H 6.41418231 -0.86775442 1.64578313
H 6.31765322 -2.18814581 3.72503461
C 2.62490760 -4.09658464 -0.98061979
C 3.79498001 -4.80513306 -0.74214870
C 1.75510728 -4.50774372 -1.98807273
C 4.08951722 -5.92106493 -1.50774400
H 4.47240401 -4.48698573 0.03891875
C 2.05475611 -5.62058424 -2.74826644
H 0.84661111 -3.94415093 -2.15688977
C 3.22387137 -6.32808428 -2.50864644
H 4.99949114 -6.47302333 -1.32175199
H 1.38026872 -5.93953229 -3.52901978
H 3.45986228 -7.19799253 -3.10358296
130
conf 43  E=-192.86465910 Eh  dE=0.172 kcal/mol  pop=0.95%
Ir 0.14681615 0.33218222 0.00360454
C -1.40991234 1.47920167 0.81558440
C -1.13140194 2.71010793 1.44461341
C -2.78642372 1.19114613 0.77830891
C -2.08983238 3.55312935 1.96242345
H -0.09301491 3.00809784 1.54360359
C -3.78546928 2.03667431 1.28097986
C -3.43917504 3.22707183 1.87448391
H -1.79749772 4.47907297 2.44267824
H -4.19755783 3.89123835 2.26476364
C -1.05172532 -0.66318140 -1.40277596
C -2.39388627 -1.05400842 -1.22293776
C -0.52356468 -1.11317694 -2.63643256
C -3.11584927 -1.85638773 -2.11745570
C -1.22414379 -1.87499469 -3.54698362
H 0.47571727 -0.80503737 -2.91353044
C -2.52428989 -2.28891509 -3.27987682
H -0.76091487 -2.15390152 -4.48477941
H -3.06695620 -2.90677825 -3.98144617
C -0.36335774 -1.24078921 1.29795417
C -1.05561349 -0.98919380 2.50796797
C -0.11281287 -2.61350640 1.10334636
C -1.44096509 -1.96692154 3.39987592
H -1.24673783 0.03772886 2.78921801
C -0.52090103 -3.62854914 1.98081143
C -1.19957993 -3.30935505 3.13231354
H -1.93329008 -1.68920906 4.32289480
H -1.51137597 -4.07939219 3.82376797
C 1.80913023 -0.61420099 -0.83381760
C 2.07964771 -1.99251851 -0.90543464
C 2.81404015 0.16418050 -1.44130316
C 3.22539418 -2.54372091 -1.49613097
C 3.93795603 -0.34674493 -2.05078395
H 2.68481180 1.24121367 -1.45207167
C 4.16019051 -1.71985551 -2.07696860
H 4.65542967 0.32102367 -2.51089783
H 5.04529416 -2.12986204 -2.54276756
C 0.24221090 2.04568550 -1.27941765
C -0.72860949 2.18612335 -2.29882158
C 1.00322185 3.22330815 -1.12463513
C -0.91856876 3.32203119 -3.05570573
H -1.37548608 1.34790119 -2.51637888
C 0.81568150 4.40156787 -1.86285890
C -0.14976536 4.45816263 -2.83742962
H -1.68388028 3.33551950 -3.82187045
H -0.30782963 5.36092636 -3.41090998
C 1.58404488 1.00964225 1.44359720
C 2.37005008 2.17842273 1.41387983
C 1.90688553 0.20383857 2.56090243
C 3.29451523 2.55272179 2.40131822
C 2.81888992 0.53721508 3.53951424
H 1.40869166 -0.74681369 2.67881883
C 3.51564727 1.73754317 3.48400757
H 2.98998805 -0.14249719 4.36493439
H 4.21712497 2.01643987 4.25779497
H -4.83059296 1.75918436 1.19080646
H -4.14778593 -2.11574278 -1.90293747
H -0.27565495 -4.66358764 1.76444602
H 3.37992958 -3.61777634 -1.48599920
H 1.41512033 5.28001840 -1.64752012
H 3.83408261 3.48924650 2.30882866
P -3.38645862 -0.34596874 0.08836475
P 2.35908133 3.32620718 0.03982259
P 0.93838283 -3.18898457 -0.22733048
C -4.96139363 0.06888761 -0.72057316
C -4.89390594 1.02706383 -1.72944033
C -6.17650558 -0.52743233 -0.41048230
C -6.03469216 1.38560025 -2.41964554
H -3.93847238 1.48286371 -1.95498747
C -7.31732101 -0.16300009 -1.10604042
H -6.23136824 -1.27231833 0.37199785
C -7.24817072 0.78955664 -2.10837414
H -5.98235765 2.12870985 -3.20149407
H -8.26290510 -0.62626340 -0.86403869
H -8.14089658 1.06841745 -2.64844455
C -3.87321985 -1.54929802 1.36022211
C -3.79957887 -2.90949508 1.09119253
C -4.38630530 -1.10672704 2.57504829
C -4.23410662 -3.82371045 2.03381486
H -3.40130733 -3.23834804 0.14258516
C -4.82553064 -2.02502084 3.50986374
H -4.42491867 -0.04728665 2.78520651
C -4.75086873 -3.38280969 3.24059239
H -4.17242513 -4.88255233 1.82706835
H -5.22506898 -1.68319566 4.45367359
H -5.09224616 -4.09743670 3.97505935
C 2.39287738 5.01761065 0.71520041
C 3.58988241 5.69997394 0.90871329
C 1.19465214 5.60960151 1.10417857
C 3.58576227 6.95661935 1.48778950
H 4.52516830 5.25223053 0.59971655
C 1.19672788 6.86496734 1.68235076
H 0.26492715 5.08570957 0.93518830
C 2.39171934 7.53919576 1.87842930
H 4.51853899 7.48159696 1.63457545
H 0.26402924 7.32083112 1.98061468
H 2.39252353 8.51942339 2.33177600
C 3.97759150 3.21317698 -0.80483473
C 4.20604566 3.97536996 -1.94665465
C 4.98069098 2.37737878 -0.32541605
C 5.42981875 3.91616006 -2.58752610
H 3.42306592 4.60921475 -2.33675439
C 6.20411923 2.32545148 -0.96850638
H 4.79592895 1.76127153 0.54247887
C 6.43338190 3.09671979 -2.09611505
H 5.60142125 4.51070183 -3.47300511
H 6.97942486 1.67536973 -0.59007566
H 7.38973372 3.05407937 -2.59642151
C 1.99932141 -4.45445002 0.53112025
C 1.99061558 -5.79726709 0.17918348
C 2.85908989 -3.99953784 1.52831306
C 2.84247541 -6.67942509 0.82309916
H 1.32313561 -6.15033345 -0.59556718
C 3.70550765 -4.88408429 2.16632888
H 2.85198083 -2.94787662 1.78512995
C 3.69751927 -6.22578429 1.81311826
H 2.83828094 -7.72448723 0.54925121
H 4.37368975 -4.53172909 2.93808743
H 4.36015713 -6.91839634 2.31066071
C 0.01616819 -4.09560308 -1.50469442
C 0.57146701 -4.29057973 -2.76468638
C -1.22179656 -4.64736132 -1.20041694
C -0.10466400 -5.04593359 -3.70450950
H 1.52351853 -3.83966171 -3.00507552
C -1.89807269 -5.39396468 -2.14814301
H -1.64420947 -4.49050886 -0.21865608
C -1.33773733 -5.59924634 -3.39776500
H 0.32827000 -5.20140375 -4.68197088
H -2.86274591 -5.81941333 -1.91131186
H -1.86421574 -6.18682011 -4.13548173
130
conf 44  E=-192.86465395 Eh  dE=0.175 kcal/mol  pop=0.94%
Ir 0.20378501 -0.32886284 -0.00250726
C -0.76431021 0.88752727 1.40840152
C -0.08265167 1.35263021 2.55881706
C -2.09128595 1.35832600 1.34642779
C -0.64414444 2.17279325 3.51396932
H 0.92456140 1.00125886 2.73923635
C -2.67274798 2.22101171 2.28642011
C -1.94446475 2.64307242 3.37287395
H -0.06987262 2.45327111 4.38751829
H -2.38194098 3.29970858 4.11166563
C -1.52137910 -1.33558714 -0.62561049
C -2.85174600 -0.88371620 -0.55500343
C -1.41703871 -2.61744119 -1.20343954
C -3.96160240 -1.61779644 -0.99685493
C -2.48569501 -3.35448541 -1.66396441
H -0.42922071 -3.05306821 -1.31160432
C -3.78129218 -2.85911746 -1.55932221
H -2.31878791 -4.32809566 -2.10778701
H -4.62632140 -3.43541104 -1.90920898
C 0.27658913 -1.89211938 1.45342485
C -0.51751590 -1.80130089 2.62125648
C 0.99457506 -3.10268657 1.41709155
C -0.52339509 -2.72276396 3.64596477
H -1.17096087 -0.94946544 2.74033207
C 1.01915042 -4.05330001 2.44829230
C 0.27523295 -3.85805057 3.58522061
H -1.15447829 -2.55852412 4.51037478
H 0.29546149 -4.57420808 4.39459560
C 1.44149531 -1.27668518 -1.46423430
C 2.07230323 -2.53523062 -1.40896413
C 1.82890432 -0.55516682 -2.61818251
C 2.92857280 -3.04569032 -2.39603937
C 2.66438917 -1.03219818 -3.60472446
H 1.44526475 0.44522397 -2.75677416
C 3.22123826 -2.30148229 -3.51124990
H 2.89309582 -0.41044623 -4.46122905
H 3.87504274 -2.68615434 -4.28136625
C -0.24400564 1.20150550 -1.36711020
C -1.02754355 0.95421373 -2.52007142
C 0.09359580 2.56344444 -1.23298157
C -1.43245177 1.93011495 -3.40532486
H -1.28487746 -0.06922325 -2.75886926
C -0.33800982 3.57875547 -2.09817138
C -1.11917706 3.26665648 -3.18471179
H -1.99850458 1.65636207 -4.28645845
H -1.45473039 4.03639125 -3.86539756
C 2.04481158 0.47719783 0.59312087
C 2.44434221 1.82493700 0.53291315
C 3.05701970 -0.36362645 1.09868922
C 3.71088750 2.29219003 0.91132089
C 4.30325049 0.06827046 1.49626464
H 2.84172420 -1.42276621 1.19995434
C 4.64851572 1.41195903 1.39685287
H 5.02241595 -0.64072225 1.88753527
H 5.62910469 1.75700413 1.69345897
H -3.70607479 2.53280065 2.17142413
H -4.96206909 -1.21269472 -0.88546033
H 1.62412116 -4.94621079 2.34529574
H 3.37699571 -4.02419694 -2.27054615
H -0.03407798 4.60614150 -1.92428665
H 3.95610070 3.34434954 0.81061381
P -3.24533504 0.71836054 0.13487658
P 1.32065151 3.09235924 -0.04049548
P 1.89108427 -3.66661874 -0.02906219
C -3.71365311 1.94585238 -1.12124939
C -3.55635643 3.29927965 -0.85236379
C -4.29777740 1.53851223 -2.31565236
C -3.98270748 4.24093068 -1.77136861
H -3.10472404 3.60352092 0.08052765
C -4.73050536 2.48436480 -3.22616770
H -4.39888220 0.48407711 -2.52921727
C -4.57517369 3.83472882 -2.95526364
H -3.85616489 5.29368654 -1.56306580
H -5.18790408 2.16929430 -4.15276833
H -4.91235847 4.57071153 -3.67031440
C -4.78868900 0.45484191 1.06021094
C -5.97616484 1.12715000 0.80365963
C -4.73008966 -0.48870193 2.08325717
C -7.09890294 0.85251276 1.56668147
H -6.02405871 1.85984055 0.00930451
C -5.85254148 -0.75741461 2.84099639
H -3.79656145 -1.00510434 2.26625690
C -7.03899504 -0.08655640 2.58224766
H -8.02363146 1.37363052 1.36536443
H -5.80725864 -1.48982018 3.63333798
H -7.91810558 -0.29726175 3.17309687
C 0.64333435 4.10414712 1.30853284
C -0.58865695 4.72601627 1.15680893
C 1.39359592 4.31761648 2.46019272
C -1.07037590 5.55531902 2.15367495
H -1.15828101 4.55515371 0.25514074
C 0.91075165 5.15386823 3.44880279
H 2.34364760 3.81652387 2.57953653
C -0.31999339 5.77344189 3.29683834
H -2.03167148 6.03525541 2.03851316
H 1.49292501 5.32208362 4.34319617
H -0.69555928 6.42362236 4.07328344
C 2.36066311 4.26867197 -0.95831439
C 3.05733291 3.74529410 -2.04515758
C 2.47017539 5.61785607 -0.64888784
C 3.85866001 4.56648779 -2.81309320
H 2.96105281 2.69070383 -2.26928737
C 3.27566646 6.43645094 -1.42298643
H 1.92983884 6.02697657 0.19415470
C 3.96797599 5.91413973 -2.50216657
H 4.39976115 4.16029946 -3.65478817
H 3.36169096 7.48598557 -1.18140294
H 4.59413822 6.55757556 -3.10240029
C 3.56868136 -4.20903975 0.43305629
C 4.63171914 -3.32347008 0.27792620
C 3.80266819 -5.46806412 0.97907911
C 5.90448676 -3.68879415 0.67502336
H 4.45717210 -2.35412776 -0.16632018
C 5.07823188 -5.82760932 1.37554693
H 2.99278516 -6.17846074 1.07819129
C 6.12995236 -4.93829049 1.22965002
H 6.72407661 -2.99656624 0.54869377
H 5.25161582 -6.80699164 1.79742974
H 7.12432510 -5.22235157 1.54105386
C 1.07680189 -5.21806469 -0.54352225
C -0.23511309 -5.46430362 -0.14849177
C 1.73091875 -6.14454139 -1.35093646
C -0.88055448 -6.61637920 -0.55816655
H -0.74600204 -4.75053827 0.48136138
C 1.08022511 -7.29445325 -1.75897940
H 2.75655359 -5.97971864 -1.64976054
C -0.22687420 -7.53213859 -1.36613955
H -1.89807349 -6.79844269 -0.24466632
H 1.59639298 -8.00918565 -2.38342740
H -0.73192038 -8.43157763 -1.68632404
130
conf 45  E=-192.86462380 Eh  dE=0.194 kcal/mol  pop=0.91%
Ir -0.36137765 0.09641140 -0.02285377
C -1.74539000 1.03071540 1.31890737
C -1.23645109 1.82510850 2.37304968
C -3.14134262 1.18282274 1.18408361
C -1.99495374 2.64794208 3.17731883
H -0.17572944 1.79272833 2.57916172
C -3.93493896 2.02876810 1.97338578
C -3.36440065 2.76933618 2.97897994
H -1.51814389 3.21679193 3.96599307
H -3.96376744 3.42937233 3.59057992
C -1.80037755 -0.51305171 -1.49083735
C -3.20350725 -0.39715136 -1.44264378
C -1.38307953 -1.20214957 -2.65422000
C -4.08212932 -0.82684570 -2.44931676
C -2.22163636 -1.64563524 -3.65439953
H -0.33082569 -1.40080794 -2.79240107
C -3.59360583 -1.44317416 -3.57481505
H -1.80578609 -2.15307152 -4.51587426
H -4.25629918 -1.76937787 -4.36414221
C -0.66604752 -1.83460623 0.71324500
C -1.89540293 -2.15599246 1.32191374
C 0.23105235 -2.91783562 0.70984323
C -2.20095118 -3.38263734 1.86769985
H -2.64688521 -1.37683094 1.39097785
C -0.05853057 -4.18654020 1.23136122
C -1.27895786 -4.42323269 1.81833880
H -3.16361898 -3.54177926 2.33700306
H -1.51479801 -5.39366437 2.23205460
C 1.17356387 -0.42338612 -1.35915041
C 2.08183854 -1.49284184 -1.23313680
C 1.40919781 0.34399315 -2.52642681
C 3.12237447 -1.76326690 -2.13376462
C 2.40577289 0.07998459 -3.44130714
H 0.73173209 1.15543905 -2.75606596
C 3.29650818 -0.96810052 -3.24091511
H 2.49560630 0.69088022 -4.33019523
H 4.08680304 -1.17037661 -3.94996822
C -0.27888648 2.07122045 -0.72501036
C -1.41484504 2.66319857 -1.31476237
C 0.80934752 2.95863947 -0.63895600
C -1.47212089 3.96751440 -1.75401522
H -2.29901033 2.04875666 -1.44749767
C 0.77585125 4.29491112 -1.06196859
C -0.37120850 4.80699534 -1.61987721
H -2.37873233 4.34903862 -2.20785264
H -0.41440755 5.83615856 -1.94780912
C 1.17339314 0.32255415 1.39124764
C 2.32046110 1.12943940 1.25091826
C 1.19957088 -0.44294834 2.58132957
C 3.40456610 1.13307266 2.13958687
C 2.23941493 -0.43242583 3.48633403
H 0.33349079 -1.04161349 2.82976313
C 3.37718419 0.33268998 3.25629029
H 2.17162772 -1.02364160 4.39059743
H 4.20427214 0.32399197 3.95219819
H -4.99749514 2.12100431 1.77395373
H -5.14952603 -0.66971760 -2.33792109
H 0.67497180 -4.98328006 1.16297343
H 3.77198699 -2.61758727 -1.97122577
H 1.64828536 4.92803307 -0.93794772
H 4.25377544 1.78416310 1.95757333
P -4.08078362 0.25414471 -0.02415708
P 2.38601975 2.42072033 0.01230772
P 1.87360886 -2.74851818 0.02635942
C -5.42204338 1.32376428 -0.63559939
C -6.70229238 0.82756763 -0.86120592
C -5.13466232 2.64955692 -0.94752179
C -7.67924235 1.64805201 -1.39668063
H -6.93780531 -0.19846519 -0.61077081
C -6.11506672 3.46486717 -1.48083125
H -4.14474018 3.03712327 -0.75422364
C -7.38727576 2.96502373 -1.71016123
H -8.67128309 1.25688309 -1.57008245
H -5.88762940 4.49364006 -1.71884067
H -8.15180273 3.60190337 -2.13000266
C -5.00156777 -1.12172640 0.75293921
C -5.74255500 -0.88176204 1.90634201
C -4.96692157 -2.40301616 0.21299949
C -6.45354031 -1.90803016 2.50058247
H -5.75627959 0.10670198 2.34199471
C -5.68357104 -3.42457869 0.80965455
H -4.36853298 -2.59887288 -0.66488234
C -6.43038975 -3.17962534 1.95037176
H -7.02705072 -1.71591902 3.39566354
H -5.65307146 -4.41740823 0.38505804
H -6.98815459 -3.97956600 2.41488962
C 3.05990929 3.85712496 0.90105657
C 4.29112643 4.43595756 0.62271517
C 2.27516206 4.35581788 1.93829255
C 4.73090208 5.51039581 1.37778965
H 4.90284035 4.04973864 -0.18144453
C 2.71944785 5.42699552 2.68771573
H 1.31734479 3.89331884 2.13860795
C 3.94911888 6.00505338 2.40786408
H 5.68830391 5.96150409 1.16053016
H 2.11052718 5.81415139 3.49117775
H 4.29816877 6.84242079 2.99383839
C 3.61967324 2.11555941 -1.28693862
C 3.59233448 2.86236971 -2.46011663
C 4.63037132 1.18671590 -1.07771310
C 4.57594418 2.67851897 -3.41348800
H 2.79371467 3.57187458 -2.62410416
C 5.60773385 1.00231568 -2.03880983
H 4.64011826 0.61619711 -0.16064305
C 5.58381162 1.75010241 -3.20420933
H 4.55697303 3.25803359 -4.32513442
H 6.39150822 0.27577955 -1.87888137
H 6.34877974 1.60682957 -3.95318534
C 3.16670880 -2.67607310 1.30175137
C 4.36896027 -2.03657394 1.02723341
C 2.98010579 -3.30443802 2.52818405
C 5.38011943 -2.02929725 1.97072087
H 4.50362738 -1.55158641 0.07144867
C 3.99817952 -3.30251675 3.46346938
H 2.03535330 -3.78084121 2.74729152
C 5.19818672 -2.66717312 3.18637020
H 6.31277217 -1.52701561 1.75747967
H 3.85547127 -3.79458011 4.41451564
H 5.99005800 -2.66502956 3.92091930
C 2.18134989 -4.32157684 -0.82929839
C 1.28347418 -4.63866273 -1.84603291
C 3.22864407 -5.18291147 -0.53180002
C 1.43337782 -5.81201140 -2.55789579
H 0.47248180 -3.95421062 -2.05994692
C 3.37294866 -6.35871621 -1.24941691
H 3.92532650 -4.93599742 0.25825418
C 2.47914487 -6.67340553 -2.25899738
H 0.73716970 -6.05930272 -3.34553767
H 4.18637674 -7.03110538 -1.01835496
H 2.59653347 -7.59196837 -2.81454594
130
conf 46  E=-192.86461678 Eh  dE=0.198 kcal/mol  pop=0.91%
Ir -0.36314914 0.13944413 -0.03042720
C -1.71417839 1.10522832 1.32237834
C -1.18055843 1.89532735 2.36730723
C -3.11346281 1.25286604 1.22582230
C -1.92215634 2.69797907 3.20691561
H -0.11324517 1.87656397 2.53751201
C -3.89116924 2.07737792 2.05274930
C -3.29883470 2.80415103 3.05559662
H -1.42646534 3.26209494 3.98719749
H -3.88605253 3.44465469 3.69888233
C -1.82978735 -0.44406659 -1.48244230
C -3.22765088 -0.27790448 -1.42963661
C -1.44200066 -1.14532378 -2.64849950
C -4.12378838 -0.66493176 -2.43794419
C -2.29826668 -1.54565633 -3.65226530
H -0.39987578 -1.39115921 -2.78670154
C -3.66039221 -1.28651392 -3.57126080
H -1.90314999 -2.06371343 -4.51711467
H -4.33574883 -1.57738658 -4.36361284
C -0.69310453 -1.77510946 0.73963779
C -1.92324168 -2.07086725 1.35933686
C 0.19417763 -2.86607103 0.76074847
C -2.23868101 -3.28140200 1.93472490
H -2.66873062 -1.28474531 1.41005049
C -0.10377201 -4.11805484 1.31683977
C -1.32480904 -4.32998371 1.91178398
H -3.20300749 -3.42164343 2.40663663
H -1.56726475 -5.28731314 2.35134286
C 1.14819701 -0.43087955 -1.37409897
C 2.03914873 -1.51397525 -1.23808284
C 1.37693559 0.30358554 -2.56370838
C 3.05669566 -1.82628513 -2.15129038
C 2.35161626 -0.00083277 -3.48969111
H 0.71002675 1.12140939 -2.80148685
C 3.22506815 -1.06158641 -3.28069263
H 2.43703516 0.58750853 -4.39412927
H 3.99753769 -1.29656202 -3.99927781
C -0.24676741 2.09872008 -0.76693646
C -1.38069476 2.71418436 -1.33581860
C 0.87316209 2.95000344 -0.73949042
C -1.40642659 4.00507458 -1.81577274
H -2.29089530 2.12979261 -1.41846077
C 0.87310482 4.27219812 -1.20568881
C -0.27171088 4.80666266 -1.74703586
H -2.31425218 4.40468844 -2.25111166
H -0.28803748 5.82470606 -2.11015461
C 1.19228217 0.36184610 1.35829085
C 2.35823063 1.13360908 1.18148172
C 1.20907673 -0.36554361 2.57217615
C 3.45092356 1.13613607 2.05967760
C 2.25693955 -0.35253522 3.46754934
H 0.32959198 -0.93291920 2.84614034
C 3.41269797 0.37355038 3.20206759
H 2.18182635 -0.91030310 4.39221555
H 4.24596213 0.36448417 3.89057172
H -4.95946118 2.16434972 1.88480882
H -5.18459393 -0.47163530 -2.32069701
H 0.62420272 -4.92141551 1.26953899
H 3.69225384 -2.68966778 -1.98153953
H 1.77019724 4.87771483 -1.12827999
H 4.31563566 1.75732180 1.84899678
P -4.08045600 0.36418771 0.00770270
P 2.44399054 2.38501228 -0.09659504
P 1.83093930 -2.73413882 0.05634776
C -5.39963614 1.48193195 -0.56425121
C -5.07966102 2.80875106 -0.83806484
C -6.69422462 1.02667787 -0.79304259
C -6.04242629 3.66568911 -1.33695846
H -4.07818580 3.16430920 -0.64260611
C -7.65397099 1.88935624 -1.29219530
H -6.95457682 -0.00039287 -0.57341277
C -7.32985914 3.20722571 -1.56786761
H -5.78964206 4.69488970 -1.54565879
H -8.65788275 1.53034228 -1.46663028
H -8.08128545 3.87712347 -1.95891288
C -5.02169345 -1.01822218 0.74796386
C -4.95129761 -2.29709774 0.20514082
C -5.80683662 -0.79319737 1.87482280
C -5.67401442 -3.33089274 0.77218760
H -4.32104701 -2.48071487 -0.65265776
C -6.52443767 -1.83155809 2.43955266
H -5.85358388 0.19364199 2.31186420
C -6.46375185 -3.10075604 1.88675189
H -5.61443386 -4.32137989 0.34533109
H -7.13268116 -1.65073582 3.31387496
H -7.02614094 -3.91012159 2.32880095
C 3.16210241 3.82906467 0.74448328
C 2.39863390 4.37793916 1.77223918
C 4.40478497 4.36876277 0.43995201
C 2.87502323 5.45992337 2.48552525
H 1.43149207 3.94566391 1.99389819
C 4.87697901 5.45422610 1.15883693
H 5.00054061 3.94380453 -0.35661077
C 4.11601434 5.99896240 2.17909064
H 2.28230547 5.88598268 3.28134003
H 5.84332923 5.87454899 0.92074584
H 4.48985451 6.84487928 2.73681756
C 3.66200902 2.01382684 -1.39338638
C 4.64678702 1.06260595 -1.16285252
C 3.65413363 2.73325181 -2.58385030
C 5.61812033 0.82899025 -2.11947255
H 4.64127758 0.51393358 -0.23260877
C 4.63176051 2.50029894 -3.53262271
H 2.87525313 3.46032560 -2.76459940
C 5.61420519 1.54993303 -3.30173554
H 6.38177966 0.08516832 -1.94262705
H 4.62834798 3.05883974 -4.45736713
H 6.37479094 1.36888882 -4.04702545
C 3.14014979 -2.65699487 1.31505573
C 2.94249035 -3.22110539 2.57047266
C 4.36675186 -2.08748009 0.99687929
C 3.97346818 -3.22643678 3.49154875
H 1.97997549 -3.64273934 2.82203600
C 5.39098382 -2.08621356 1.92623565
H 4.51110224 -1.65429620 0.01815217
C 5.19752097 -2.66134661 3.17111083
H 3.82189331 -3.66837280 4.46554455
H 6.34321852 -1.63973543 1.67849764
H 5.99942065 -2.66437387 3.89467780
C 2.10504182 -4.33343532 -0.76177922
C 3.13614493 -5.20780562 -0.44684969
C 1.19278339 -4.66119559 -1.76214542
C 3.25062683 -6.40646393 -1.13131826
H 3.84384066 -4.95377135 0.33092573
C 1.31260126 -5.85738371 -2.44083257
H 0.39396974 -3.96670792 -1.98929847
C 2.34273658 -6.73148079 -2.12487871
H 4.05154611 -7.08871092 -0.88621698
H 0.60456129 -6.11278618 -3.21516718
H 2.43653715 -7.66825366 -2.65398453
130
conf 47  E=-192.86460011 Eh  dE=0.209 kcal/mol  pop=0.89%
Ir -0.33391176 -0.02245848 0.02529037
C -1.71718544 0.74079779 1.46962005
C -1.24661666 1.40173544 2.62790194
C -3.12528792 0.70791028 1.43570911
C -2.04702748 1.87580718 3.64589845
H -0.18301738 1.54840341 2.74579343
C -3.96574606 1.17082236 2.45922464
C -3.42835212 1.74142743 3.58681243
H -1.59352344 2.35312605 4.50549689
H -4.06159995 2.08823883 4.39138190
C -1.79149885 -0.83109793 -1.32220138
C -3.19771019 -0.77755453 -1.25184858
C -1.35939407 -1.68681116 -2.36336589
C -4.06912116 -1.45558444 -2.11801068
C -2.19084843 -2.34806841 -3.24053160
H -0.29943032 -1.84070817 -2.50372148
C -3.57078843 -2.23605250 -3.13077327
H -1.76489956 -2.96983251 -4.01817400
H -4.23222082 -2.75926871 -3.80704478
C -0.46171700 -1.95523807 0.83374107
C -1.65448732 -2.39482208 1.44450306
C 0.54751838 -2.93430221 0.85997910
C -1.82373725 -3.63301640 2.02362887
H -2.49544437 -1.71118972 1.47911228
C 0.40116427 -4.20792696 1.42837904
C -0.78770978 -4.56101904 2.02059283
H -2.76915894 -3.88989960 2.48547299
H -0.91443165 -5.53713920 2.46743245
C 1.15826246 -0.48386708 -1.37338360
C 2.17838091 -1.44525778 -1.22587506
C 1.24107069 0.20406959 -2.60758712
C 3.19171425 -1.67725539 -2.16656865
C 2.20745905 -0.03116631 -3.56207623
H 0.46846878 0.92118854 -2.85120383
C 3.21771504 -0.95911274 -3.33822638
H 2.18032584 0.50834837 -4.50010335
H 3.98661028 -1.13399097 -4.07767970
C -0.43736750 1.91230828 -0.75521280
C -1.65172126 2.37980916 -1.29424576
C 0.58769987 2.87389155 -0.82409709
C -1.83672226 3.63288478 -1.83428604
H -2.49917268 1.70127753 -1.30310766
C 0.42682335 4.16428992 -1.34728331
C -0.79059002 4.54960210 -1.85695157
H -2.80133597 3.91093189 -2.24019380
H -0.92965616 5.54047781 -2.26603993
C 1.26734360 0.38850711 1.31923153
C 2.32589250 1.28869079 1.07998075
C 1.43037244 -0.31764946 2.53583617
C 3.44292747 1.44267192 1.91353232
C 2.50091659 -0.15630914 3.38925539
H 0.64238579 -0.98824554 2.85215432
C 3.54190730 0.70840231 3.07072330
H 2.53351316 -0.70523899 4.32157924
H 4.39221199 0.82134196 3.72837601
H -5.04154821 1.07697506 2.35807466
H -5.14134882 -1.38980790 -1.97222597
H 1.21958370 -4.91931472 1.39037751
H 3.93894908 -2.44269084 -1.98257439
H 1.25775649 4.86205900 -1.34084558
H 4.21576905 2.16073431 1.65773606
P -4.06202294 0.15396465 0.01234298
P 2.23347879 2.49668621 -0.23906062
P 2.14561622 -2.63416366 0.11452284
C -4.93245836 1.61725486 -0.65574109
C -4.65105207 2.88692770 -0.16050138
C -5.86606653 1.47455616 -1.67817616
C -5.30374155 3.99291719 -0.67338265
H -3.91378399 3.00526430 0.62015084
C -6.51158613 2.58454054 -2.19132044
H -6.09341825 0.49552497 -2.07330594
C -6.23425271 3.84550618 -1.68883336
H -5.07965028 4.97424311 -0.28147335
H -7.23411411 2.46490230 -2.98551606
H -6.74055960 4.71080864 -2.09071023
C -5.42923055 -0.90988456 0.57715335
C -5.19652407 -2.27545837 0.71783202
C -6.67784017 -0.39013231 0.90317228
C -6.19945976 -3.10660290 1.17957280
H -4.23235378 -2.68178088 0.44754901
C -7.67854364 -1.22752636 1.36379661
H -6.87354037 0.66745564 0.78429858
C -7.44151798 -2.58469970 1.50446591
H -6.01348004 -4.16572397 1.28193316
H -8.64752887 -0.81862061 1.61085381
H -8.22589990 -3.23549496 1.86171757
C 2.83527286 4.04124809 0.50855409
C 2.08823917 4.52994347 1.57789057
C 3.96590917 4.72507153 0.08211521
C 2.47000918 5.69505266 2.21262697
H 1.20917341 3.98333378 1.89406536
C 4.34336533 5.89365176 0.72254588
H 4.54770413 4.34724332 -0.74778111
C 3.59902315 6.37828674 1.78449090
H 1.89061968 6.07476719 3.04104232
H 5.22203578 6.42679414 0.38975394
H 3.89827891 7.29013003 2.27979584
C 3.41402998 2.20100010 -1.58916710
C 4.53418842 1.41082758 -1.36797965
C 3.23541484 2.82585151 -2.81882780
C 5.47065306 1.24389330 -2.37220064
H 4.66276540 0.93553387 -0.40658392
C 4.17919949 2.66251153 -3.81525815
H 2.35230802 3.42444068 -2.99131988
C 5.29673015 1.87298295 -3.59353923
H 6.33967501 0.62457531 -2.20219633
H 4.04305581 3.14870287 -4.77040243
H 6.03019234 1.74500528 -4.37604951
C 3.48304556 -2.38972945 1.32122646
C 4.60925248 -1.66094142 0.96248779
C 3.41590499 -2.99317360 2.57242520
C 5.66354491 -1.53649152 1.84930197
H 4.65132958 -1.20023399 -0.01355984
C 4.47642514 -2.87317946 3.45073888
H 2.52890559 -3.54157866 2.85511792
C 5.60058869 -2.14666922 3.09068649
H 6.53763878 -0.96543853 1.57094188
H 4.42689594 -3.34414679 4.42172157
H 6.42615323 -2.05306423 3.78081812
C 2.57485999 -4.21873100 -0.66881168
C 1.66160438 -4.69905065 -1.60464272
C 3.72564447 -4.94268974 -0.38751001
C 1.89733091 -5.89727037 -2.24863682
H 0.76821608 -4.12280370 -1.80807500
C 3.95638879 -6.14408676 -1.03690488
H 4.43654713 -4.57125645 0.33834878
C 3.04556874 -6.62182880 -1.96365030
H 1.18711329 -6.27122505 -2.97110834
H 4.85024088 -6.70915710 -0.81572728
H 3.22922919 -7.56102946 -2.46417364
130
conf 48  E=-192.86458892 Eh  dE=0.216 kcal/mol  pop=0.88%
Ir -0.37872861 0.05429906 -0.00075169
C -1.66743714 0.99220456 1.43032715
C -1.09217344 1.76170491 2.47002511
C -3.06930657 1.13292731 1.40294880
C -1.79740438 2.52686245 3.37261485
H -0.01867365 1.75737277 2.58718884
C -3.81166195 1.92060586 2.29630228
C -3.18119485 2.61776343 3.29594878
H -1.26698440 3.07137317 4.14396118
H -3.74341501 3.22659424 3.99005683
C -1.90718078 -0.57876705 -1.35312529
C -3.30166908 -0.41144380 -1.24523199
C -1.56523164 -1.32539644 -2.50481339
C -4.23848379 -0.84183551 -2.19661628
C -2.46357318 -1.77257044 -3.45017413
H -0.52613437 -1.56660493 -2.67649729
C -3.82244297 -1.51447114 -3.31889233
H -2.10632887 -2.32711877 -4.30880333
H -4.53113915 -1.84311276 -4.06605600
C -0.63005292 -1.87222437 0.76229204
C -1.85144221 -2.22586626 1.36943673
C 0.29107083 -2.93594533 0.73969662
C -2.13140213 -3.47000617 1.88938228
H -2.62058464 -1.46337635 1.45072580
C 0.02768342 -4.21911104 1.23866436
C -1.18924366 -4.49121610 1.81771068
H -3.09143113 -3.65947626 2.35311603
H -1.40699294 -5.47505483 2.20918467
C 1.09660069 -0.48387159 -1.39326422
C 2.08112038 -1.47806739 -1.22141098
C 1.25961545 0.22683675 -2.60685699
C 3.14167261 -1.70931025 -2.10886033
C 2.27325393 -0.00608364 -3.51159775
H 0.51664019 0.96603077 -2.87539057
C 3.25191012 -0.95981287 -3.25530575
H 2.30960325 0.55627609 -4.43576814
H 4.06052689 -1.12877521 -3.95244917
C -0.36294074 1.99872301 -0.79305779
C -1.53026289 2.54058422 -1.36976809
C 0.72247366 2.89141471 -0.83897992
C -1.61152596 3.79488349 -1.93371037
H -2.42405840 1.92681899 -1.39226092
C 0.66557388 4.18130644 -1.38612455
C -0.50516073 4.63740181 -1.94340960
H -2.54250063 4.13128398 -2.37333458
H -0.56356008 5.62682526 -2.37501294
C 1.23269606 0.34004189 1.31617067
C 2.31984534 1.21887227 1.13882248
C 1.32795977 -0.39522928 2.52232684
C 3.39907854 1.33707605 2.02571701
C 2.36239307 -0.27232066 3.42546063
H 0.51353127 -1.05470591 2.79105504
C 3.43108838 0.57920085 3.17205434
H 2.34372694 -0.84179087 4.34575543
H 4.25120765 0.66624225 3.87077467
H -4.88609387 2.00595000 2.18253667
H -5.29347443 -0.64358960 -2.04298023
H 0.77752417 -4.99934121 1.15814768
H 3.86054300 -2.49592552 -1.90226088
H 1.53965923 4.82358807 -1.35936861
H 4.19452979 2.04688001 1.82177739
P -4.10006700 0.31558728 0.18563087
P 2.31905401 2.44351591 -0.16892808
P 1.93369038 -2.70754801 0.07232837
C -5.32795015 1.54343588 -0.36827400
C -4.93302004 2.87114119 -0.50957481
C -6.63137836 1.17918774 -0.69198293
C -5.82740295 3.81619335 -0.97562465
H -3.92781551 3.15927306 -0.23751202
C -7.52239453 2.12976774 -1.15766832
H -6.95714199 0.15516193 -0.56521019
C -7.12216804 3.44746220 -1.30418069
H -5.51452970 4.84490422 -1.07922558
H -8.53362608 1.84039238 -1.40441504
H -7.82062704 4.18675806 -1.66757464
C -5.14102115 -0.98649170 0.93643219
C -5.00269488 -2.31252864 0.53820166
C -6.06566576 -0.66439146 1.92612268
C -5.78191266 -3.29701668 1.11830395
H -4.28058779 -2.56988624 -0.22300050
C -6.83851506 -1.65311139 2.50624808
H -6.19055263 0.36134315 2.24036860
C -6.69930964 -2.97144574 2.10360965
H -5.66915637 -4.32326729 0.80049089
H -7.55339961 -1.39345418 3.27350534
H -7.30526965 -3.74189637 2.55724326
C 2.91426454 3.96615170 0.62726621
C 2.09466617 4.48357069 1.62785444
C 4.09876291 4.61049174 0.29693454
C 2.45849058 5.63906704 2.29003248
H 1.17271908 3.96932911 1.86734740
C 4.45757311 5.76979914 0.96459945
H 4.73541211 4.20971596 -0.48050297
C 3.64113823 6.28370001 1.95764202
H 1.82173323 6.04147071 3.06388555
H 5.37773810 6.27344068 0.70601269
H 3.92542717 7.18909384 2.47323947
C 3.56621727 2.10998628 -1.44884358
C 4.64245683 1.28021917 -1.16263803
C 3.48205862 2.73508959 -2.68834435
C 5.63217994 1.08096124 -2.10827264
H 4.69779518 0.80029481 -0.19650950
C 4.47764259 2.53728608 -3.62652501
H 2.63118394 3.36111144 -2.91542715
C 5.55392153 1.71323379 -3.33758699
H 6.46807429 0.43342273 -1.88487251
H 4.41385570 3.02428689 -4.58890106
H 6.32946453 1.56030595 -4.07367753
C 3.20701550 -2.56680375 1.36157225
C 4.37236166 -1.85440489 1.11188938
C 3.04529227 -3.23480476 2.57094072
C 5.37080509 -1.80796790 2.06810524
H 4.48598558 -1.34299424 0.16732233
C 4.04975293 -3.19090976 3.51913990
H 2.12840740 -3.77245303 2.76626911
C 5.21270677 -2.47917707 3.26901996
H 6.27576070 -1.24941054 1.87650067
H 3.92615656 -3.71022525 4.45843003
H 5.99417772 -2.44455454 4.01384011
C 2.34482766 -4.27768419 -0.74791767
C 1.49118363 -4.66905692 -1.77670354
C 3.44566050 -5.05985219 -0.42448578
C 1.73757792 -5.83533968 -2.47346643
H 0.63786375 -4.04654750 -2.01326861
C 3.68728348 -6.22870358 -1.12694530
H 4.11072502 -4.75746138 0.37316188
C 2.83739990 -6.61623126 -2.14885638
H 1.07549210 -6.13891969 -3.27079089
H 4.54348253 -6.83759570 -0.87499141
H 3.03191261 -7.52804080 -2.69397077
130
conf 49  E=-192.86458559 Eh  dE=0.218 kcal/mol  pop=0.88%
Ir 0.10874243 -0.36226730 -0.04439539
C -1.04535204 0.69133962 1.35603509
C -0.53966849 1.01225455 2.63829796
C -2.32028046 1.24819451 1.13073967
C -1.19639975 1.80761633 3.55277488
H 0.39915462 0.57305286 2.94799984
C -2.99282119 2.08675938 2.03050562
C -2.42125480 2.38808937 3.24323760
H -0.75771312 1.98234296 4.52683035
H -2.92619134 3.03243296 3.94917604
C -1.51954656 -1.27387251 -1.00099694
C -2.85488068 -0.83106016 -1.01204463
C -1.34825776 -2.49578844 -1.68383040
C -3.91475326 -1.52957226 -1.60724614
C -2.36707681 -3.19604621 -2.29131548
H -0.34609015 -2.90576055 -1.75147847
C -3.67388882 -2.72142584 -2.24820444
H -2.15603285 -4.12430125 -2.80826457
H -4.48074614 -3.27396380 -2.70895104
C -0.07153264 -2.14171410 1.13449372
C -1.11547738 -2.22283104 2.08573480
C 0.55846447 -3.39032406 0.95004675
C -1.48308954 -3.36907165 2.75674201
H -1.67389352 -1.32702861 2.31884565
C 0.19148119 -4.57705916 1.60204626
C -0.83602352 -4.57383359 2.51272456
H -2.29328752 -3.33503009 3.47459229
H -1.13315586 -5.48237304 3.01784784
C 1.54087542 -1.12523506 -1.44609611
C 2.19143688 -2.37465649 -1.43935514
C 2.01859488 -0.30499961 -2.49554569
C 3.13270970 -2.79780328 -2.39059014
C 2.94980777 -0.68736758 -3.43737401
H 1.63376121 0.69957088 -2.58787361
C 3.50982868 -1.95820917 -3.40947797
H 3.24452643 0.00971332 -4.21187185
H 4.22635813 -2.27317102 -4.15515757
C -0.14055197 1.32522742 -1.27059179
C -0.79184357 1.21889617 -2.52412479
C 0.26227940 2.64607870 -0.99077481
C -1.00836555 2.27794644 -3.37948052
H -1.08872757 0.23786267 -2.86986082
C 0.02633574 3.74431491 -1.83034997
C -0.62287190 3.56632404 -3.02844875
H -1.47970943 2.10666591 -4.33861503
H -0.80238887 4.40108717 -3.69119334
C 1.81697086 0.33456219 0.93551750
C 2.25269384 1.66348200 1.08418696
C 2.67618298 -0.58737588 1.56594994
C 3.42137998 2.04194901 1.75996698
C 3.81486544 -0.24609914 2.26079432
H 2.41149465 -1.63848364 1.52526350
C 4.20808566 1.08496121 2.35588828
H 4.41074334 -1.01568036 2.73515165
H 5.10829304 1.36084383 2.88694046
H -3.97309615 2.47877964 1.77849206
H -4.92521929 -1.13821195 -1.55138956
H 0.70068942 -5.50630584 1.36867194
H 3.56241620 -3.79123547 -2.32044210
H 0.38218111 4.72998597 -1.54728893
H 3.70974385 3.08717100 1.80467904
P -3.31110672 0.72997213 -0.26752931
P 1.30423285 3.02267558 0.41599813
P 1.96443326 -3.58642425 -0.14091693
C -3.57818647 2.04689736 -1.49064753
C -4.08030663 1.73366598 -2.74952795
C -3.35057268 3.37164834 -1.14265117
C -4.35527388 2.74563732 -3.64965348
H -4.23896656 0.69927674 -3.01978839
C -3.62223440 4.37942547 -2.05023259
H -2.96106844 3.59939844 -0.16123866
C -4.12837224 4.06808604 -3.30109996
H -4.74567022 2.50481110 -4.62784861
H -3.44147085 5.41042319 -1.78178137
H -4.34256299 4.85597723 -4.00821163
C -4.96834953 0.46938790 0.43406202
C -6.08024476 1.23449870 0.10757036
C -5.07673828 -0.54675592 1.38077874
C -7.29386569 0.98006869 0.72437145
H -5.99858593 2.02496308 -0.62634530
C -6.28940755 -0.79541526 1.99223827
H -4.19969595 -1.13392070 1.62057854
C -7.39961672 -0.03067339 1.66458137
H -8.15900064 1.57507038 0.46973382
H -6.37353696 -1.58364092 2.72564229
H -8.34826318 -0.22336147 2.14348957
C 0.43024333 3.96580367 1.70108889
C -0.71059310 4.68665840 1.37151293
C 0.93120674 4.01545250 2.99713514
C -1.34328403 5.45674239 2.33037829
H -1.09226327 4.64146546 0.36208327
C 0.30012687 4.79476758 3.94881870
H 1.80473914 3.43439409 3.25563549
C -0.83526060 5.51665653 3.61713791
H -2.23260023 6.01405974 2.07374683
H 0.69118510 4.83641827 4.95518644
H -1.32728777 6.12207069 4.36416679
C 2.54647082 4.18623172 -0.22039463
C 3.38738910 3.68578308 -1.21172809
C 2.68885361 5.49608646 0.21692403
C 4.36445024 4.49242081 -1.76010961
H 3.26182332 2.66044125 -1.53553410
C 3.67160366 6.29973757 -0.33683733
H 2.03628641 5.88430581 0.98750657
C 4.50695112 5.80107420 -1.32206232
H 5.01735838 4.10450984 -2.52780932
H 3.78518638 7.31883562 0.00329564
H 5.27154218 6.43283663 -1.74934939
C 3.53001381 -3.70611849 0.79632570
C 4.63609205 -2.93999144 0.44397237
C 3.61276230 -4.57425418 1.88093084
C 5.81594108 -3.06005335 1.15563208
H 4.56520184 -2.24335210 -0.37860489
C 4.79386959 -4.68707123 2.59097826
H 2.75079006 -5.15687623 2.17195002
C 5.89930419 -3.93534143 2.22610586
H 6.67139780 -2.46258712 0.87619077
H 4.85261920 -5.36308940 3.43157034
H 6.82177097 -4.02677472 2.78058291
C 1.85018272 -5.22949060 -0.91839001
C 0.61804723 -5.66099007 -1.40125234
C 2.97598821 -6.02652855 -1.10090970
C 0.51687364 -6.87148166 -2.06059783
H -0.25790806 -5.04877955 -1.24182464
C 2.86884159 -7.23685760 -1.76272485
H 3.93577238 -5.70460607 -0.71886022
C 1.64192686 -7.65944783 -2.24626955
H -0.44194224 -7.20323812 -2.43113743
H 3.74695973 -7.85073117 -1.90157761
H 1.56227785 -8.60380163 -2.76415078
130
conf 50  E=-192.86457627 Eh  dE=0.224 kcal/mol  pop=0.87%
Ir 0.13667264 -0.36219995 -0.03816395
C -0.80299464 0.82084934 1.41177899
C -0.12665082 1.21664867 2.59012441
C -2.10370794 1.35872343 1.33287583
C -0.66593610 2.04596226 3.55001233
H 0.85503138 0.80500306 2.78407085
C -2.65848073 2.23428188 2.27680321
C -1.93275720 2.59499639 3.38667761
H -0.10128317 2.27238658 4.44533085
H -2.34880251 3.26363707 4.12706202
C -1.61539343 -1.33837099 -0.65331666
C -2.93031619 -0.84399607 -0.57982768
C -1.55678464 -2.63617580 -1.20154345
C -4.06613021 -1.54962469 -1.00207464
C -2.65234644 -3.34814050 -1.63729975
H -0.58392285 -3.10403451 -1.30611719
C -3.93003259 -2.80733930 -1.53929921
H -2.52328780 -4.33661661 -2.06096857
H -4.79556207 -3.36288341 -1.87219956
C 0.16996913 -1.99878604 1.34846325
C -0.70591867 -1.96867959 2.45898650
C 0.83043069 -3.24038491 1.24725823
C -0.87096072 -2.99589300 3.36269896
H -1.29432403 -1.07904889 2.63181001
C 0.66554895 -4.31167577 2.13861537
C -0.17919532 -4.19096448 3.21402774
H -1.55559103 -2.87553242 4.19308055
H -0.31108312 -5.00643081 3.91141211
C 1.28980101 -1.31613215 -1.57604713
C 1.87552257 -2.59782146 -1.56184449
C 1.54630556 -0.64968399 -2.79644850
C 2.52665971 -3.19766101 -2.65055307
C 2.19228736 -1.20703180 -3.88002301
H 1.21321766 0.37101146 -2.91161608
C 2.66717754 -2.51126365 -3.83204968
H 2.32392244 -0.62347548 -4.78253440
H 3.14785402 -2.96635471 -4.68674107
C -0.29723349 1.22051237 -1.34684536
C -1.09902256 1.01940842 -2.49665439
C 0.08959407 2.56791175 -1.19571423
C -1.45784174 2.01751504 -3.37755196
H -1.40474559 0.01078395 -2.74153728
C -0.29472748 3.60610144 -2.05631210
C -1.08032391 3.33581953 -3.15104801
H -2.03679265 1.77495150 -4.25930125
H -1.37337375 4.12326178 -3.83097648
C 1.97621464 0.41313972 0.57530938
C 2.39305731 1.75651119 0.59142997
C 2.96762145 -0.46202304 1.05858437
C 3.65445302 2.18760968 1.02560035
C 4.20911484 -0.07146695 1.50679338
H 2.73094482 -1.52001270 1.09933433
C 4.56960335 1.27220471 1.48919876
H 4.91034593 -0.81057080 1.87359936
H 5.54485085 1.58993828 1.83020349
H -3.66972766 2.60587070 2.14504185
H -5.05238028 -1.11031151 -0.89399640
H 1.18526644 -5.24828777 1.96573111
H 2.91510299 -4.20649415 -2.55920999
H 0.05249007 4.61835424 -1.87485639
H 3.91320067 3.24059336 0.98659770
P -3.27048884 0.77303126 0.10547104
P 1.30629353 3.05654298 0.02558167
P 1.97191386 -3.60381907 -0.08372416
C -3.70865575 2.02040781 -1.14189998
C -3.48992756 3.36563702 -0.87674329
C -4.33824785 1.63747435 -2.32139271
C -3.89696606 4.32416945 -1.78723572
H -3.00418800 3.64859139 0.04555130
C -4.75005958 2.60027443 -3.22353616
H -4.48890050 0.58815270 -2.53129273
C -4.53126482 3.94301600 -2.95760286
H -3.72237503 5.37088263 -1.58312941
H -5.24068025 2.30476055 -4.13955035
H -4.85220442 4.69241099 -3.66622878
C -4.82341009 0.56229087 1.02991235
C -4.80527438 -0.39624627 2.04056136
C -5.97773721 1.29635382 0.79181609
C -5.93432473 -0.61850609 2.80340516
H -3.89793666 -0.96163694 2.20956274
C -7.10742336 1.06830192 1.55996301
H -5.99550232 2.04155584 0.00798846
C -7.08746136 0.11449710 2.56306609
H -5.92018281 -1.36277731 3.58579559
H -8.00596678 1.63828134 1.37272390
H -7.97150997 -0.05900852 3.15872147
C 0.62519985 4.05923562 1.37975270
C -0.56020234 4.75824071 1.19356879
C 1.32704137 4.18728066 2.57355443
C -1.04177186 5.58139903 2.19563184
H -1.09372514 4.65509981 0.26002610
C 0.84625228 5.01910225 3.56731368
H 2.23823166 3.62522755 2.72059665
C -0.33672331 5.71658309 3.37971133
H -1.96666691 6.12144401 2.05237834
H 1.39202849 5.12215695 4.49386751
H -0.71094774 6.36309975 4.15998086
C 2.39618616 4.21871377 -0.85010366
C 3.08879321 3.69456082 -1.93911984
C 2.56342361 5.55080960 -0.49645440
C 3.94302695 4.49889668 -2.66657024
H 2.94644961 2.65283912 -2.19672789
C 3.42215143 6.35251430 -1.23010875
H 2.02684426 5.95904450 0.34948899
C 4.11033804 5.82967260 -2.31163427
H 4.48119272 4.09256979 -3.51010972
H 3.55391862 7.38872157 -0.95426815
H 4.77928860 6.45931078 -2.87944243
C 3.71711901 -3.61022944 0.46782844
C 4.70363153 -2.98899391 -0.29147272
C 4.06191134 -4.23189705 1.66425694
C 6.02052425 -3.01342719 0.13006586
H 4.43506873 -2.47783091 -1.20438097
C 5.37993788 -4.24947186 2.08245992
H 3.29755880 -4.69299246 2.27234053
C 6.36258894 -3.64703187 1.31345025
H 6.78103153 -2.52995891 -0.46555882
H 5.64141034 -4.73330602 3.01229582
H 7.39172325 -3.66387467 1.64112166
C 1.69921265 -5.34408628 -0.54795137
C 0.39139677 -5.80557681 -0.66981206
C 2.75919529 -6.20274698 -0.81994438
C 0.15026393 -7.10981736 -1.05773416
H -0.42965219 -5.14065377 -0.44192946
C 2.51142764 -7.50759652 -1.20849620
H 3.77833660 -5.85309825 -0.72033361
C 1.20898985 -7.96244535 -1.32892844
H -0.86603326 -7.46494845 -1.14601564
H 3.33856883 -8.17072520 -1.41639091
H 1.01935551 -8.98211928 -1.63013228
130
conf 51  E=-192.86457158 Eh  dE=0.227 kcal/mol  pop=0.87%
Ir 0.14486918 0.35207637 -0.01013721
C -1.45459920 1.53490023 0.65524009
C -1.21205941 2.81249063 1.20087733
C -2.82615119 1.23221675 0.57798516
C -2.19826923 3.68479321 1.60559026
H -0.18092239 3.12512312 1.32616565
C -3.85218111 2.10589554 0.96488185
C -3.54035667 3.34222962 1.47811808
H -1.93390354 4.64734699 2.02647255
H -4.31959415 4.02882863 1.77800182
C -0.98845945 -0.78607230 -1.36274919
C -2.33291174 -1.17669638 -1.20140399
C -0.40513405 -1.34398026 -2.52552661
C -3.00965962 -2.06874651 -2.04477051
C -1.05902208 -2.19952908 -3.38625436
H 0.60170440 -1.05034845 -2.79045867
C -2.36556689 -2.60265781 -3.13495259
H -0.55305236 -2.56196518 -4.27195975
H -2.87261926 -3.29109858 -3.79630952
C -0.37986428 -1.11338326 1.40093225
C -1.12991466 -0.77493964 2.55403215
C -0.09508988 -2.49145724 1.33774427
C -1.53854678 -1.68168576 3.50839614
H -1.35114386 0.26773918 2.73842590
C -0.52595581 -3.43753297 2.27903744
C -1.26336720 -3.03681392 3.36710546
H -2.07686394 -1.33714106 4.38187876
H -1.59458520 -3.75216190 4.10660726
C 1.85260103 -0.62450993 -0.71177300
C 2.16841350 -1.99238425 -0.62770798
C 2.85170204 0.11964462 -1.36996474
C 3.35354322 -2.56174022 -1.11422456
C 4.01275029 -0.41339658 -1.88348128
H 2.68622674 1.18328364 -1.50477069
C 4.28272365 -1.77143635 -1.74824828
H 4.72302180 0.22543520 -2.39308045
H 5.19892299 -2.19612165 -2.13391159
C 0.23384835 1.95727855 -1.42502143
C -0.72475064 1.99819800 -2.46482610
C 0.95181236 3.16828045 -1.33548091
C -0.94827245 3.08026174 -3.28827055
H -1.33200069 1.12162972 -2.64281352
C 0.73119172 4.29280608 -2.14497099
C -0.22654188 4.25646982 -3.12813823
H -1.70255989 3.01949284 -4.06312186
H -0.41296327 5.11808264 -3.75402563
C 1.53149050 1.17516502 1.40186027
C 2.31742016 2.33814506 1.28038607
C 1.83651015 0.47176260 2.59104123
C 3.23038877 2.79647250 2.24265061
C 2.73863707 0.88784926 3.54674108
H 1.33085490 -0.46181025 2.78795224
C 3.44028003 2.07663575 3.39311108
H 2.89643469 0.28457466 4.43207284
H 4.13409971 2.42112906 4.14716532
H -4.89041595 1.81288443 0.84786935
H -4.04771873 -2.31890721 -1.84973405
H -0.25361422 -4.48174016 2.16171965
H 3.54271285 -3.62195186 -0.98093701
H 1.29886980 5.20262656 -1.97880430
H 3.76818621 3.72421250 2.07906563
P -3.38471719 -0.36482694 -0.00130804
P 2.29909865 3.37882798 -0.17680854
P 1.02985546 -3.15364673 0.11273726
C -4.92853466 -0.04534242 -0.90686402
C -4.82767265 0.81340086 -1.99910882
C -6.14968749 -0.62630126 -0.59140269
C -5.94115283 1.08678795 -2.76831490
H -3.86846840 1.26012033 -2.22655949
C -7.26308915 -0.34718591 -1.36633020
H -6.23006506 -1.29344645 0.25632831
C -7.16038023 0.50480481 -2.45283115
H -5.86304377 1.75204732 -3.61542597
H -8.21325200 -0.79903288 -1.12080362
H -8.03137565 0.71605860 -3.05543366
C -3.90747482 -1.45525355 1.35540372
C -3.81307088 -2.83354509 1.21492707
C -4.46511631 -0.90961626 2.50713994
C -4.27271041 -3.66256494 2.22222093
H -3.37830993 -3.24419573 0.31543216
C -4.92879603 -1.74344299 3.50701795
H -4.52014032 0.16408885 2.61752674
C -4.83432512 -3.11922672 3.36562969
H -4.19516202 -4.73503278 2.11552253
H -5.36374614 -1.32120946 4.40130827
H -5.19540634 -3.76772998 4.15031133
C 2.30668536 5.11202319 0.38279899
C 1.10044815 5.70912350 0.73751924
C 3.49421384 5.82116213 0.53377494
C 1.08541677 6.99562841 1.24234234
H 0.17831124 5.16314473 0.60023695
C 3.47315150 7.10832278 1.04096105
H 4.43510828 5.36918799 0.24867254
C 2.27137355 7.69546573 1.39994699
H 0.14665435 7.45526539 1.51473340
H 4.39870063 7.65329099 1.15762427
H 2.25906537 8.69902407 1.79879544
C 3.91653342 3.23454261 -1.01795977
C 4.95648548 2.49917543 -0.45934300
C 4.10450680 3.87217895 -2.24060025
C 6.17644581 2.42503613 -1.10704615
H 4.80281520 1.97609567 0.47332597
C 5.32484366 3.79040378 -2.88543570
H 3.29142359 4.42314947 -2.69064485
C 6.36507393 3.07288715 -2.31688007
H 6.98072720 1.85300540 -0.66784691
H 5.46479839 4.28653115 -3.83478429
H 7.31831487 3.01179125 -2.82120150
C 2.08274825 -4.31520185 1.03070099
C 2.88855794 -3.74584797 2.01416295
C 2.11036736 -5.68626817 0.81555087
C 3.71762684 -4.54538173 2.77520305
H 2.85339113 -2.67411106 2.16312032
C 2.94460877 -6.48268029 1.58259162
H 1.48439616 -6.12761947 0.05142739
C 3.74554412 -5.91565588 2.55936332
H 4.34374837 -4.10462756 3.53673820
H 2.96862534 -7.54984535 1.41607847
H 4.39381547 -6.54204805 3.15411990
C 0.18278987 -4.18951384 -1.11688924
C -1.07325006 -4.71027598 -0.83299576
C 0.81004750 -4.50606850 -2.31715648
C -1.69528039 -5.54852898 -1.74032608
H -1.55255810 -4.45549760 0.10095740
C 0.18683426 -5.35091381 -3.21635418
H 1.77613774 -4.07903522 -2.54487641
C -1.06371241 -5.87459178 -2.92876054
H -2.67376455 -5.95046242 -1.51984221
H 0.67511939 -5.60032479 -4.14717888
H -1.54823396 -6.53298206 -3.63474360
130
conf 52  E=-192.86455670 Eh  dE=0.236 kcal/mol  pop=0.85%
Ir -0.39658476 -0.04772932 0.05638923
C -1.65494251 0.79166720 1.57744388
C -1.08480646 1.46722831 2.68223524
C -3.06212915 0.83828007 1.62308872
C -1.79804068 2.03315237 3.71743959
H -0.01030363 1.55306260 2.74274972
C -3.81639108 1.39472606 2.66767651
C -3.18596767 1.98286323 3.73645524
H -1.26943603 2.51762108 4.52885713
H -3.75243623 2.40431880 4.55504539
C -1.96616747 -0.83612402 -1.17003772
C -3.35951565 -0.79994933 -0.95320253
C -1.62805416 -1.71864870 -2.22274957
C -4.30222311 -1.55198114 -1.67023633
C -2.53366107 -2.45347851 -2.95697079
H -0.58621524 -1.83399384 -2.48669807
C -3.89348086 -2.38603358 -2.68132953
H -2.18250811 -3.10059718 -3.75118966
H -4.60844239 -2.97494167 -3.23888124
C -0.52497075 -1.99000881 0.83573972
C -1.69534132 -2.41562425 1.49686708
C 0.44299073 -3.00669084 0.74227653
C -1.88881464 -3.68509026 1.99521746
H -2.49248460 -1.69324235 1.63799498
C 0.26889904 -4.31114178 1.22560752
C -0.90381118 -4.65692471 1.85368936
H -2.81294584 -3.93543282 2.50191400
H -1.05475227 -5.65924362 2.22939474
C 1.01164700 -0.52256651 -1.42373198
C 2.06010416 -1.45641403 -1.30110212
C 1.05893484 0.17827980 -2.65242797
C 3.08364904 -1.63171659 -2.24281018
C 2.03552719 -0.00090554 -3.60855664
H 0.25707099 0.86597916 -2.88580158
C 3.08653730 -0.88640558 -3.39719218
H 1.98553862 0.55048729 -4.53876437
H 3.86737965 -1.00954923 -4.13446858
C -0.49294192 1.87812486 -0.74720838
C -1.70367310 2.33586160 -1.30393454
C 0.53713707 2.83066981 -0.84500321
C -1.87798661 3.56947232 -1.89025470
H -2.55375811 1.66258077 -1.29400617
C 0.38654709 4.10344758 -1.41336898
C -0.82540647 4.47756573 -1.94351685
H -2.83856655 3.83755777 -2.31182502
H -0.95576413 5.45269703 -2.39141164
C 1.26643634 0.31676277 1.28725704
C 2.29260258 1.25799206 1.07223095
C 1.46219720 -0.42611901 2.47748498
C 3.39976590 1.43370241 1.91492219
C 2.52602029 -0.25086958 3.33629144
H 0.70227999 -1.13694839 2.77310950
C 3.52710630 0.66994085 3.05023528
H 2.58276698 -0.83172066 4.24779026
H 4.36813845 0.80235623 3.71611244
H -4.89976014 1.35862390 2.63074299
H -5.35423688 -1.49648922 -1.41029674
H 1.05190141 -5.05058260 1.09339147
H 3.85939093 -2.37111082 -2.07061765
H 1.22186174 4.79604221 -1.42614858
H 4.14069453 2.19324534 1.68608280
P -4.09736678 0.27188595 0.27656682
P 2.17933284 2.47536661 -0.23635275
P 2.03709571 -2.69253475 -0.00584496
C -4.86547217 1.74300537 -0.49169643
C -4.62882427 3.01853259 0.00998009
C -5.68916115 1.58318916 -1.60204446
C -5.22756684 4.11636294 -0.58087099
H -3.96649993 3.14842304 0.85340902
C -6.28189075 2.68501868 -2.19076485
H -5.85955482 0.59697838 -2.00888371
C -6.05705141 3.95267613 -1.67821111
H -5.03950378 5.10427739 -0.18650508
H -6.91994038 2.55502334 -3.05275929
H -6.52138573 4.81213541 -2.13916716
C -5.53160824 -0.59296347 0.99161006
C -6.71990962 0.07665937 1.26660740
C -5.40485749 -1.93593998 1.33469621
C -7.76441236 -0.58952092 1.88273793
H -6.83074739 1.11767205 0.99297565
C -6.45207568 -2.59646661 1.94905756
H -4.48800943 -2.45859291 1.10279950
C -7.63137581 -1.92396023 2.22837627
H -8.68420936 -0.06388665 2.09463713
H -6.34976273 -3.63923336 2.21146730
H -8.44768658 -2.44002691 2.71178071
C 2.73305577 4.03109583 0.52195061
C 1.93634070 4.51119224 1.55894022
C 3.86507195 4.73336945 0.13165394
C 2.27098772 5.68791435 2.19856020
H 1.05639528 3.94937392 1.84518249
C 4.19519897 5.91335393 0.77755810
H 4.48305694 4.36085086 -0.67438006
C 3.40177167 6.39017883 1.80719630
H 1.65293444 6.06159837 3.00136732
H 5.07460431 6.46245018 0.47392191
H 3.66367626 7.31166051 2.30579755
C 3.37943794 2.18295407 -1.56996771
C 4.51827139 1.42839293 -1.31793704
C 3.19264940 2.75971416 -2.82133340
C 5.46659067 1.25499137 -2.30962965
H 4.65468829 0.98603386 -0.34188836
C 4.14926161 2.59203174 -3.80520790
H 2.29425735 3.32610648 -3.02023186
C 5.28617490 1.84150234 -3.55111168
H 6.34969471 0.66380611 -2.11388453
H 4.00696097 3.04387573 -4.77604115
H 6.02979833 1.70969658 -4.32331916
C 3.36887758 -2.49317837 1.21436932
C 4.47140935 -1.70504981 0.91282858
C 3.31788301 -3.18820364 2.41823056
C 5.51757058 -1.60923691 1.81258870
H 4.49771299 -1.17332377 -0.02690646
C 4.36959091 -3.09398908 3.30985468
H 2.44931610 -3.78669391 2.65377546
C 5.46969919 -2.30621685 3.00825146
H 6.37374523 -0.99200370 1.58094701
H 4.33268858 -3.63384710 4.24493490
H 6.28843362 -2.23303896 3.70896159
C 2.48211317 -4.23517645 -0.86002725
C 1.59096943 -4.66772973 -1.83944697
C 3.64359270 -4.95490930 -0.61270780
C 1.86059353 -5.81264765 -2.56244922
H 0.68976446 -4.09503499 -2.01641923
C 3.90814358 -6.10281831 -1.34098427
H 4.33789710 -4.62061615 0.14643843
C 3.02102342 -6.53115054 -2.31378936
H 1.16937247 -6.14809042 -3.32135822
H 4.81147097 -6.66315822 -1.14779053
H 3.23357682 -7.42613967 -2.87965369
130
conf 53  E=-192.86453532 Eh  dE=0.249 kcal/mol  pop=0.83%
Ir 0.20323771 -0.28256220 0.03126287
C -0.87595764 0.88213439 1.40432756
C -0.27498061 1.36766311 2.59098454
C -2.18994114 1.36632605 1.23653794
C -0.89170346 2.22224727 3.47986621
H 0.71151539 1.00871187 2.85321152
C -2.82212273 2.26845011 2.10396424
C -2.16844884 2.71168268 3.22840812
H -0.37972247 2.51640244 4.38707510
H -2.64540322 3.39988236 3.91193138
C -1.46716522 -1.33709705 -0.64038685
C -2.81771925 -0.94342782 -0.60432391
C -1.29579820 -2.62552304 -1.18062059
C -3.88498801 -1.74616920 -1.02999875
C -2.31949201 -3.43292173 -1.62216356
H -0.28203500 -3.00280428 -1.27219561
C -3.63900041 -2.99921779 -1.53977074
H -2.10107278 -4.41063711 -2.03287884
H -4.45183069 -3.63034372 -1.87052185
C 0.33827325 -1.89142325 1.44214976
C -0.36933946 -1.82852721 2.66419644
C 1.05436296 -3.10005451 1.32526721
C -0.30937810 -2.78101099 3.66006745
H -1.00459890 -0.97528177 2.85208877
C 1.15443000 -4.07548899 2.32880287
C 0.48258284 -3.91280450 3.51608096
H -0.87778292 -2.64039570 4.57083392
H 0.56023196 -4.64842256 4.30453991
C 1.57459321 -1.09570909 -1.40698098
C 2.26163100 -2.32616959 -1.38331084
C 2.05863375 -0.25536421 -2.43793166
C 3.29172118 -2.68778366 -2.26621361
C 3.05163811 -0.59136572 -3.33191751
H 1.62628477 0.72772359 -2.55385523
C 3.68831743 -1.82345684 -3.25606380
H 3.34740363 0.11678094 -4.09610386
H 4.47879786 -2.09005390 -3.94368582
C -0.23633773 1.24562478 -1.33251127
C -0.94309646 0.97196503 -2.52772213
C 0.09431416 2.60971592 -1.20425974
C -1.27299564 1.92536181 -3.46720538
H -1.19397050 -0.05566038 -2.75501579
C -0.26522181 3.60266177 -2.12614275
C -0.96305865 3.26446704 -3.26108351
H -1.77729972 1.63121259 -4.37863495
H -1.23676127 4.01676943 -3.98735233
C 1.98130480 0.57589473 0.74664997
C 2.32257747 1.93994195 0.75155650
C 2.99228125 -0.23407297 1.30455303
C 3.52776398 2.45360759 1.25204860
C 4.17757943 0.24247838 1.81961164
H 2.82368710 -1.30380678 1.35072908
C 4.46050147 1.60399011 1.79680479
H 4.89792726 -0.44429472 2.24706591
H 5.39160405 1.98517371 2.19218399
H -3.83676982 2.59607759 1.90054922
H -4.90460954 -1.38452782 -0.94694504
H 1.77136769 -4.95396583 2.16909557
H 3.79574546 -3.64200691 -2.15246031
H 0.03190446 4.63302109 -1.95836115
H 3.73089322 3.51814778 1.19882574
P -3.27401966 0.67902015 -0.01230777
P 1.22010901 3.17338583 0.07095624
P 1.88998335 -3.59647610 -0.17961777
C -3.68793726 1.82287356 -1.36255439
C -3.55158597 3.19283758 -1.18334042
C -4.21839542 1.32516471 -2.54827085
C -3.94032517 4.06166318 -2.18725263
H -3.14363704 3.56577511 -0.25525616
C -4.61255231 2.19849235 -3.54406139
H -4.30582012 0.25690060 -2.68705602
C -4.47463980 3.56617979 -3.36485901
H -3.82951399 5.12785013 -2.05105877
H -5.02593103 1.81348704 -4.46499507
H -4.78049244 4.24561398 -4.14684130
C -4.86581187 0.45582208 0.83805571
C -4.86067850 -0.42021463 1.92107471
C -6.03792713 1.10822381 0.47913781
C -6.02074065 -0.64208801 2.63610331
H -3.93733777 -0.91983124 2.18455844
C -7.19830940 0.88142984 1.20030737
H -6.04448579 1.78950561 -0.36092974
C -7.19136552 0.00958661 2.27573483
H -6.01713597 -1.32191591 3.47515495
H -8.11033530 1.38838655 0.92020210
H -8.09923358 -0.16302416 2.83458395
C 0.41448917 4.20333339 1.33347372
C -0.80006940 4.81478688 1.05168700
C 1.04607933 4.44161767 2.54942986
C -1.37891462 5.66242883 1.97898066
H -1.27999645 4.62360399 0.10303624
C 0.46736101 5.29666565 3.46840960
H 1.97993300 3.94631123 2.77326107
C -0.74340647 5.90866812 3.18434511
H -2.32619264 6.13436869 1.76075288
H 0.95907106 5.48521229 4.41168998
H -1.19369362 6.57437253 3.90599094
C 2.32708452 4.33986016 -0.77893083
C 3.13637380 3.79342565 -1.77242322
C 2.40054748 5.69633894 -0.49227872
C 4.01378795 4.59934789 -2.47002169
H 3.06953327 2.73291120 -1.97813038
C 3.28355635 6.49932343 -1.19503703
H 1.77340863 6.12262467 0.27922969
C 4.08862634 5.95406050 -2.18054061
H 4.64321149 4.17481067 -3.23803286
H 3.34336964 7.55422292 -0.96956596
H 4.77711699 6.58470717 -2.72333090
C 3.48079727 -4.36213893 0.27141741
C 4.56691334 -3.53044954 0.53057869
C 3.62833082 -5.74040952 0.38329094
C 5.78350070 -4.07312100 0.89738378
H 4.45368888 -2.46102169 0.42369354
C 4.84950874 -6.27816229 0.75081310
H 2.79127112 -6.39350517 0.17457538
C 5.92684365 -5.44740218 1.00901262
H 6.62457950 -3.42397674 1.09203089
H 4.96008214 -7.34975579 0.83227878
H 6.87922634 -5.87091774 1.29184438
C 0.97753654 -4.99762620 -0.92372048
C -0.02671486 -5.65302302 -0.21855801
C 1.29161527 -5.41105536 -2.21492265
C -0.68553039 -6.72686276 -0.78957483
H -0.29919174 -5.31192782 0.76965199
C 0.62611363 -6.48239715 -2.78186448
H 2.04639696 -4.88451823 -2.78041027
C -0.35715184 -7.14802526 -2.06781497
H -1.46304306 -7.23274470 -0.23589156
H 0.87408273 -6.79789015 -3.78486402
H -0.87384435 -7.98644049 -2.51141744
130
conf 54  E=-192.86453473 Eh  dE=0.250 kcal/mol  pop=0.83%
Ir 0.17638298 0.32061847 0.07112256
C -1.37234357 1.46242413 0.91226526
C -1.08980470 2.69161823 1.54389260
C -2.74111891 1.14245593 0.94863449
C -2.03337954 3.49190789 2.14941443
H -0.05915144 3.02546367 1.57478554
C -3.72727255 1.94475209 1.54082598
C -3.37466214 3.12409880 2.15191683
H -1.73350758 4.41567170 2.62907110
H -4.12211063 3.75059077 2.61819727
C -1.03041688 -0.70416403 -1.30279733
C -2.39283121 -1.03069113 -1.15082442
C -0.50259887 -1.15553354 -2.53604041
C -3.14486532 -1.75281420 -2.08798423
C -1.23166291 -1.83650481 -3.48742169
H 0.52099667 -0.90583935 -2.78174664
C -2.56143669 -2.17069495 -3.26027141
H -0.76735514 -2.11326356 -4.42516824
H -3.13108383 -2.71871140 -3.99752222
C -0.31070658 -1.23896214 1.39018103
C -0.98257532 -0.98893774 2.61149746
C -0.14140309 -2.61799181 1.14940597
C -1.43841765 -1.97316558 3.46233575
H -1.10539033 0.03717028 2.93180797
C -0.62992297 -3.63696693 1.97963005
C -1.29657633 -3.31769319 3.13780673
H -1.91084923 -1.69996157 4.39714050
H -1.67407312 -4.09101260 3.79186142
C 1.85501315 -0.63819218 -0.71490575
C 2.13855004 -2.01647382 -0.73889459
C 2.89245451 0.13513367 -1.26925853
C 3.33083354 -2.56851758 -1.22684676
C 4.06734169 -0.37615443 -1.77251015
H 2.74828144 1.21007052 -1.32025784
C 4.30477172 -1.74682293 -1.74350132
H 4.81334901 0.28806420 -2.19028472
H 5.23061120 -2.15722743 -2.12140400
C 0.20062092 1.98755143 -1.28292842
C -0.80914207 2.07965690 -2.27060194
C 0.96435872 3.17057431 -1.21878044
C -1.02081543 3.16948371 -3.08658945
H -1.47360647 1.24050154 -2.41571639
C 0.75600622 4.30551354 -2.01871266
C -0.23704529 4.30987123 -2.96634417
H -1.81519923 3.14217977 -3.82227091
H -0.40785579 5.17666680 -3.58948319
C 1.60752016 1.10632616 1.45995043
C 2.36402321 2.29174581 1.36147495
C 1.93152506 0.38421894 2.63120904
C 3.25574684 2.75987863 2.33833556
C 2.81915244 0.80739676 3.59839604
H 1.45274972 -0.56911507 2.80130718
C 3.48043015 2.02254286 3.47543698
H 2.99580043 0.19030165 4.47038919
H 4.15659648 2.37449385 4.24208128
H -4.76895206 1.64281943 1.50638093
H -4.19426579 -1.95729463 -1.90092895
H -0.45929173 -4.67689030 1.71939505
H 3.49000034 -3.64109397 -1.18679323
H 1.36290885 5.19305846 -1.87206599
H 3.76078796 3.71022969 2.19806130
P -3.36391876 -0.35553628 0.19513117
P 2.33062287 3.35587125 -0.07937157
P 0.93264730 -3.20004595 -0.15947830
C -4.93101519 0.15033459 -0.57681285
C -6.15949911 -0.43775455 -0.30717332
C -4.84508408 1.19383444 -1.49567102
C -7.29595012 0.02068595 -0.95264558
H -6.22820426 -1.24794923 0.40641716
C -5.98169783 1.64613578 -2.13576742
H -3.87975287 1.64357775 -1.68906807
C -7.20908582 1.05945244 -1.86382597
H -8.25243578 -0.43498756 -0.74114232
H -5.91531756 2.45747763 -2.84540418
H -8.09911701 1.41409442 -2.36228048
C -3.87308618 -1.62005016 1.39772735
C -4.33626952 -1.24753858 2.65502335
C -3.86904532 -2.95927980 1.02969870
C -4.80423576 -2.21149027 3.52833315
H -4.31616734 -0.20722898 2.94621843
C -4.33039264 -3.92031785 1.91103047
H -3.50772255 -3.23684988 0.05030518
C -4.80422053 -3.54698897 3.15747194
H -5.16821101 -1.92263785 4.50361610
H -4.32371829 -4.96224172 1.62453823
H -5.16984999 -4.29736483 3.84299992
C 2.30441165 5.08550742 0.49315347
C 3.46481742 5.84595937 0.58945916
C 1.08485046 5.64032000 0.87160890
C 3.40355216 7.14543689 1.06169053
H 4.41477514 5.42532870 0.28705314
C 1.03004943 6.93791705 1.34325274
H 0.18250116 5.05347423 0.77566766
C 2.18906337 7.69207372 1.44084284
H 4.30739158 7.73314977 1.13138518
H 0.08087480 7.36499846 1.63201125
H 2.14505714 8.70694598 1.80757023
C 3.94374938 3.24990469 -0.93693594
C 4.08602400 3.81887126 -2.19901510
C 5.02778443 2.60666944 -0.34816096
C 5.30422930 3.76560854 -2.85127570
H 3.23951115 4.29046456 -2.67620875
C 6.24486275 2.56075321 -1.00384564
H 4.91123162 2.13115364 0.61490638
C 6.38812030 3.14442516 -2.25212844
H 5.40742310 4.20825779 -3.83130971
H 7.08309811 2.06106178 -0.54043085
H 7.33949493 3.10593736 -2.76216164
C 1.88845600 -4.54719709 0.60057669
C 2.68196527 -4.19317012 1.68936755
C 1.84583898 -5.86787732 0.17348141
C 3.42580412 -5.15461988 2.34413557
H 2.70313950 -3.15832480 2.00597045
C 2.59490799 -6.82742337 0.83390000
H 1.23053559 -6.14530985 -0.67170859
C 3.38171836 -6.47384529 1.91684059
H 4.04038848 -4.88051690 3.18874484
H 2.56194004 -7.85480149 0.50122326
H 3.96165062 -7.22701649 2.42945462
C 0.06274363 -4.02840038 -1.52295794
C -1.21519151 -4.53471555 -1.32761547
C 0.71038610 -4.22189276 -2.73872159
C -1.84491013 -5.22856068 -2.34516316
H -1.70388316 -4.38087176 -0.37668636
C 0.07908076 -4.92291997 -3.74859672
H 1.69852898 -3.81049581 -2.88889939
C -1.19739663 -5.42700796 -3.55313620
H -2.84160019 -5.61837968 -2.19610271
H 0.58102274 -5.07539484 -4.69307365
H -1.68887783 -5.97159309 -4.34592553
130
conf 55  E=-192.86451557 Eh  dE=0.262 kcal/mol  pop=0.82%
Ir 0.11430130 -0.36403622 -0.07994889
C -0.83406458 0.84454124 1.34533118
C -0.17044269 1.21893826 2.53813409
C -2.13622658 1.37766440 1.26575625
C -0.72785044 2.01243592 3.51797423
H 0.81462087 0.81438894 2.72921763
C -2.70980836 2.21691798 2.23117818
C -2.00054342 2.54837204 3.36094491
H -0.17214833 2.22026087 4.42324305
H -2.43363694 3.18477703 4.11968182
C -1.63977183 -1.26374647 -0.80361441
C -2.94276645 -0.73691777 -0.76636078
C -1.58864845 -2.52956789 -1.42357652
C -4.07462218 -1.38456203 -1.28232130
C -2.67845396 -3.18108109 -1.95750799
H -0.62599391 -3.02080079 -1.50536329
C -3.94493680 -2.61047893 -1.88962872
H -2.55314176 -4.14553134 -2.43441659
H -4.80650566 -3.11906812 -2.29894133
C -0.02233343 -2.00170378 1.30290418
C -0.96204886 -1.92801597 2.35889074
C 0.54587635 -3.28823860 1.21129159
C -1.27644364 -2.96306271 3.21213478
H -1.48022384 -0.99607551 2.53056951
C 0.22827055 -4.36814796 2.05056136
C -0.68263184 -4.20998515 3.06514859
H -2.00301761 -2.80663185 3.99992257
H -0.93568195 -5.03280372 3.71910181
C 1.31036277 -1.37039222 -1.54686056
C 1.86440857 -2.66507903 -1.48580043
C 1.66377324 -0.71481518 -2.74821995
C 2.58609647 -3.28028625 -2.51971880
C 2.39140665 -1.28417322 -3.77237922
H 1.34266825 0.30610461 -2.89534937
C 2.84308153 -2.59441053 -3.68205844
H 2.60398563 -0.70746446 -4.66377813
H 3.38773093 -3.05819083 -4.49267692
C -0.21079435 1.24449173 -1.38872317
C -0.98762765 1.09367080 -2.56301034
C 0.18310375 2.58232306 -1.17956797
C -1.33727819 2.13101735 -3.40106262
H -1.28743312 0.09696980 -2.85849813
C -0.19032741 3.65869120 -1.99684030
C -0.96758713 3.43893125 -3.10845222
H -1.90421999 1.92824897 -4.30059997
H -1.25883416 4.25689368 -3.75220187
C 1.96652467 0.33091649 0.58325871
C 2.45125875 1.65209125 0.58547955
C 2.91191283 -0.59080485 1.07135201
C 3.73905174 2.01926353 0.99934116
C 4.17853611 -0.26211352 1.49847570
H 2.61563741 -1.63367438 1.12989270
C 4.61130439 1.05958583 1.45614725
H 4.84445646 -1.03283509 1.86574542
H 5.60841438 1.32707684 1.77645103
H -3.72381200 2.58136315 2.10027719
H -5.05395700 -0.92628072 -1.19150766
H 0.68289854 -5.33915379 1.88330908
H 2.93227130 -4.30230776 -2.40353453
H 0.15545575 4.66114560 -1.76490387
H 4.05170212 3.05701899 0.94835350
P -3.28159325 0.84618039 -0.00547872
P 1.40613960 3.00206670 0.05938662
P 1.77364212 -3.69675691 -0.02373538
C -3.67119425 2.16026321 -1.19973052
C -3.43364497 3.48710530 -0.86518338
C -4.26971671 1.84803205 -2.41577517
C -3.79631738 4.49633314 -1.73883184
H -2.97033136 3.71812156 0.08273773
C -4.63931814 2.86125761 -3.28029220
H -4.43106342 0.81372502 -2.68301397
C -4.40450260 4.18507820 -2.94331205
H -3.60783429 5.52803086 -1.47881835
H -5.10709979 2.61962799 -4.22357390
H -4.69237388 4.97397780 -3.62263202
C -4.85248453 0.58588876 0.87322979
C -4.85518059 -0.44210715 1.81342369
C -6.00240339 1.33349870 0.65852719
C -6.00196896 -0.72018922 2.52997011
H -3.95075722 -1.01763622 1.96280962
C -7.14995223 1.04887063 1.38013140
H -6.00230126 2.13161438 -0.07181919
C -7.15146796 0.02559661 2.31273548
H -6.00449751 -1.51894452 3.25676277
H -8.04622667 1.62792782 1.21108562
H -8.05001085 -0.19311456 2.87055378
C 0.75303816 3.96879582 1.45278234
C 1.48911857 4.06986390 2.62860569
C -0.43862005 4.66796488 1.31686251
C 1.03242529 4.87143612 3.65762071
H 2.40697478 3.50924824 2.73404513
C -0.89437978 5.46245053 2.35342803
H -0.99743459 4.58377396 0.39639735
C -0.15780692 5.56860236 3.52122326
H 1.60325165 4.95191285 4.57130956
H -1.82425362 6.00279722 2.25038607
H -0.51293049 6.19172539 4.32884938
C 2.51445639 4.17800616 -0.77443303
C 2.69949547 5.49391840 -0.37151484
C 3.18667180 3.69170590 -1.89341793
C 3.55523307 6.31637079 -1.08527594
H 2.17836967 5.87418152 0.49670244
C 4.03806430 4.51670677 -2.60103415
H 3.03024893 2.66266717 -2.19045301
C 4.22232343 5.83119216 -2.19719822
H 3.69997533 7.33989964 -0.77108037
H 4.55956891 4.13964500 -3.46824782
H 4.88763503 6.47758491 -2.75028038
C 3.44579857 -3.83458896 0.70692055
C 3.59502922 -4.38513807 1.97634584
C 4.56876485 -3.39307942 0.01442849
C 4.85410549 -4.51467204 2.53320822
H 2.72417303 -4.69765317 2.53366336
C 5.82586639 -3.52970186 0.57508319
H 4.45417061 -2.93052691 -0.95513933
C 5.97256773 -4.09580041 1.83094416
H 4.96265039 -4.94185917 3.51948122
H 6.69373049 -3.18680388 0.03078956
H 6.95543220 -4.20088487 2.26637278
C 1.43214490 -5.40793257 -0.54881748
C 0.11369799 -5.77111005 -0.81017569
C 2.44827611 -6.34277147 -0.71476406
C -0.18133173 -7.05265343 -1.23412836
H -0.67570060 -5.04855551 -0.66014706
C 2.14649748 -7.62518180 -1.13880499
H 3.47407143 -6.07090063 -0.50343951
C 0.83414987 -7.98147356 -1.40026687
H -1.20638390 -7.33071437 -1.43079562
H 2.93904311 -8.34891552 -1.26221944
H 0.60221158 -8.98395878 -1.72823293
130
conf 56  E=-192.86449499 Eh  dE=0.275 kcal/mol  pop=0.80%
Ir 0.20342969 -0.31881828 0.02158256
C -0.72279648 1.04884342 1.31986982
C -0.01069919 1.60648559 2.41025181
C -2.04540987 1.52880011 1.24675804
C -0.54359665 2.50840450 3.30606464
H 0.99762205 1.26286945 2.59827087
C -2.60041825 2.46849534 2.12754482
C -1.84559346 2.97222094 3.15956754
H 0.05450059 2.85763155 4.13781711
H -2.26277816 3.68782634 3.85391988
C -1.55197017 -1.30350524 -0.53912958
C -2.87103190 -0.81725772 -0.49908306
C -1.47587424 -2.60980222 -1.06193885
C -3.99567155 -1.54564368 -0.91182482
C -2.55715757 -3.34207508 -1.49831800
H -0.49553302 -3.06484698 -1.15118243
C -3.84184420 -2.81419204 -1.41870368
H -2.41051020 -4.33506657 -1.90431219
H -4.69830909 -3.38570334 -1.74785350
C 0.21089061 -1.75662036 1.61353070
C -0.50971569 -1.50647638 2.80517128
C 0.80970021 -3.03146331 1.63900929
C -0.56137805 -2.35409518 3.89122300
H -1.06447796 -0.58466194 2.89535323
C 0.78522654 -3.91146647 2.73193251
C 0.11209479 -3.56869881 3.87868560
H -1.12949448 -2.06679801 4.76715651
H 0.09579346 -4.22920912 4.73423342
C 1.46306420 -1.41491417 -1.32027546
C 2.07876855 -2.66959166 -1.12977240
C 1.97010361 -0.75688792 -2.46529856
C 3.07913595 -3.20509943 -1.95472963
C 2.93808258 -1.26665856 -3.30336632
H 1.57712146 0.21778735 -2.71845773
C 3.51586993 -2.50456194 -3.05180151
H 3.26181209 -0.69238953 -4.16258201
H 4.28973295 -2.90286904 -3.69310054
C -0.18877137 1.09218216 -1.48053657
C -0.97662453 0.76995205 -2.61119716
C 0.17563461 2.45340598 -1.45431539
C -1.37768501 1.68482527 -3.56099390
H -1.24785525 -0.26461048 -2.77378898
C -0.24765834 3.40879066 -2.38867966
C -1.04751816 3.03006935 -3.43981937
H -1.95466535 1.35554322 -4.41572413
H -1.38311836 3.75323225 -4.16978771
C 2.07227053 0.47175487 0.54960012
C 2.52417551 1.78827391 0.34437392
C 3.05548352 -0.35378879 1.13257580
C 3.81489228 2.23872945 0.65507946
C 4.32554293 0.06458416 1.46311855
H 2.79240209 -1.38334295 1.35141179
C 4.72471355 1.37370117 1.21491898
H 5.02420190 -0.62604862 1.91957565
H 5.72473225 1.70479557 1.45767762
H -3.63516913 2.77536936 2.01170258
H -4.98699572 -1.11336605 -0.82227780
H 1.30034743 -4.86397305 2.67037116
H 3.52961102 -4.16214461 -1.71312731
H 0.07435833 4.44099581 -2.29409864
H 4.10057134 3.26379454 0.44306541
P -3.22776800 0.82874764 0.09834731
P 1.43556933 3.03979859 -0.32510510
P 1.61081437 -3.75862955 0.21254024
C -3.67286803 1.98345145 -1.23324242
C -3.48896421 3.34828400 -1.05078904
C -4.24737269 1.51264041 -2.40872829
C -3.88125637 4.23707264 -2.03517820
H -3.04287602 3.70478132 -0.13375621
C -4.64740525 2.40656695 -3.38453000
H -4.36758400 0.44907020 -2.55664736
C -4.46633068 3.76783839 -3.19937019
H -3.73301371 5.29803088 -1.89331293
H -5.09902667 2.04143735 -4.29546417
H -4.77678334 4.46302136 -3.96550486
C -4.76115137 0.64178922 1.05541416
C -4.69542530 -0.24406095 2.12849245
C -5.94666081 1.30636992 0.77303383
C -5.81101317 -0.46373260 2.91144822
H -3.76213445 -0.75474493 2.32881004
C -7.06242912 1.08100979 1.56225045
H -5.99736869 1.99361486 -0.06094896
C -6.99642252 0.19898389 2.62744158
H -5.76163305 -1.15216336 3.74202797
H -7.98688824 1.59509578 1.34259714
H -7.87052111 0.02578084 3.23759863
C 0.80598086 4.18186259 0.94024920
C -0.42599309 4.79777868 0.76552987
C 1.59065086 4.49463364 2.04546455
C -0.87399119 5.71974361 1.69419865
H -1.02247882 4.54642943 -0.09913763
C 1.14076395 5.42237049 2.96568719
H 2.54115848 3.99918075 2.18408520
C -0.09009927 6.03585126 2.79115983
H -1.83527181 6.19534838 1.56220144
H 1.74907135 5.66747702 3.82424488
H -0.43963425 6.75800591 3.51433181
C 2.49224123 4.10295433 -1.35481805
C 3.16459500 3.46896959 -2.39714924
C 2.62470043 5.47371936 -1.17663992
C 3.96449613 4.20207176 -3.25099396
H 3.05134154 2.39953559 -2.51926204
C 3.42864436 6.20351747 -2.03634731
H 2.10282157 5.96895490 -0.36889342
C 4.09637275 5.57140982 -3.07136406
H 4.48634017 3.71030560 -4.05851070
H 3.53198641 7.26990926 -1.89690897
H 4.72060934 6.14587425 -3.73971036
C 3.10985786 -4.62084342 0.78315800
C 3.08981825 -5.97157068 1.11646245
C 4.28156520 -3.88886480 0.95296223
C 4.22800175 -6.57906984 1.61637075
H 2.18603910 -6.55030328 0.97863040
C 5.41548970 -4.50118270 1.45244927
H 4.29924841 -2.84442072 0.67652695
C 5.39006400 -5.84567717 1.78828786
H 4.20619760 -7.62827196 1.87312355
H 6.32308107 -3.92966205 1.58021666
H 6.27601006 -6.32270923 2.18059214
C 0.56002287 -5.13727724 -0.36958891
C 0.94659083 -5.86774426 -1.48932448
C -0.62358213 -5.45971128 0.28602245
C 0.16701722 -6.91926542 -1.93477666
H 1.85457739 -5.60861240 -2.01435347
C -1.39735523 -6.51464672 -0.16231997
H -0.94062196 -4.87560931 1.13756737
C -1.00283555 -7.24851023 -1.26898420
H 0.47198949 -7.48351721 -2.80404148
H -2.31535481 -6.76009681 0.35138512
H -1.60953701 -8.07139372 -1.61756979
130
conf 57  E=-192.86448874 Eh  dE=0.279 kcal/mol  pop=0.79%
Ir -0.35286125 -0.06051278 0.01389190
C -1.71659311 0.70678497 1.47962528
C -1.23173664 1.32245117 2.65689143
C -3.12530137 0.69150679 1.45528411
C -2.01909805 1.75788150 3.70182006
H -0.16732434 1.46579540 2.76819057
C -3.95359168 1.11694708 2.50496381
C -3.40141502 1.63087122 3.65260478
H -1.55399237 2.19829110 4.57476715
H -4.02397589 1.94352527 4.47913238
C -1.83592374 -0.81791540 -1.33665380
C -3.24049774 -0.72269732 -1.26508510
C -1.42875714 -1.67644759 -2.38478088
C -4.13271387 -1.36856367 -2.13430791
C -2.28071729 -2.30665571 -3.26558415
H -0.37322121 -1.85997171 -2.52483873
C -3.65670803 -2.15594890 -3.15293895
H -1.87484379 -2.93490881 -4.04861596
H -4.33327474 -2.65438770 -3.83297362
C -0.51868862 -2.00465506 0.78710566
C -1.73109707 -2.44852245 1.35435325
C 0.47725230 -2.99780509 0.80180012
C -1.93062047 -3.70484629 1.88231413
H -2.56269046 -1.75355631 1.39521973
C 0.29999303 -4.28954629 1.31810194
C -0.90798734 -4.64751130 1.86708219
H -2.88930509 -3.96567831 2.31372371
H -1.05927925 -5.63824991 2.27205471
C 1.13646264 -0.53795131 -1.37949652
C 2.16885703 -1.48230251 -1.20481686
C 1.23066896 0.14091008 -2.61759497
C 3.20988191 -1.69681211 -2.11875826
C 2.22106991 -0.08358102 -3.54955598
H 0.44962443 0.84158052 -2.88169596
C 3.24712922 -0.98613673 -3.29441372
H 2.20193044 0.44517134 -4.49383596
H 4.03754005 -1.14723505 -4.01375676
C -0.41316814 1.87802604 -0.76372369
C -1.61666387 2.36987270 -1.30463142
C 0.63360865 2.81435889 -0.84525815
C -1.77365954 3.61934517 -1.86097126
H -2.47956194 1.71241727 -1.30217833
C 0.50372671 4.10032786 -1.38813387
C -0.70421603 4.50813081 -1.90253755
H -2.73297526 3.91542270 -2.26658290
H -0.81920191 5.49508353 -2.32812338
C 1.25212494 0.31480004 1.31263360
C 2.31611336 1.21439079 1.09604744
C 1.39157196 -0.39716673 2.52891553
C 3.41184274 1.37062819 1.95709444
C 2.43776105 -0.22949370 3.41100712
H 0.60032959 -1.07439923 2.82255281
C 3.48157252 0.64092824 3.11949773
H 2.44882261 -0.77858234 4.34365599
H 4.31255304 0.76097205 3.80016475
H -5.03107125 1.03722342 2.40901552
H -5.20291806 -1.27028857 -1.98778332
H 1.11007842 -5.01006347 1.27402296
H 3.97050899 -2.44260857 -1.91087638
H 1.35169744 4.77725550 -1.39319354
H 4.19030127 2.08885540 1.71967694
P -4.06771348 0.23803981 0.00152487
P 2.26353291 2.41598489 -0.23159393
P 2.10156902 -2.68599743 0.12121519
C -4.82473090 1.77325513 -0.64543968
C -5.64444136 1.72726427 -1.76918976
C -4.57683366 2.99542906 -0.02830825
C -6.22111435 2.88609956 -2.25612287
H -5.82990684 0.78624167 -2.26583310
C -5.16001713 4.15017887 -0.51684921
H -3.91861266 3.03947530 0.82700793
C -5.98543995 4.09852838 -1.62812078
H -6.85680364 2.84332242 -3.12858730
H -4.96368592 5.09446194 -0.03047223
H -6.43927409 5.00175114 -2.00881474
C -5.51893210 -0.73222517 0.52151476
C -6.74459228 -0.13011397 0.78712951
C -5.37651323 -2.10634029 0.69386006
C -7.81367779 -0.89571247 1.21807690
H -6.86605160 0.93603428 0.64763796
C -6.44797226 -2.86569973 1.12447125
H -4.42798828 -2.57444653 0.47189034
C -7.66750230 -2.26227186 1.38821689
H -8.76400922 -0.42310018 1.41971537
H -6.33367473 -3.93224227 1.25146420
H -8.50478461 -2.85683012 1.72248836
C 2.86459664 3.96046145 0.51700235
C 2.09559257 4.46601932 1.56269210
C 4.00826007 4.63324432 0.10816984
C 2.46889248 5.63676696 2.19201207
H 1.20605839 3.92800196 1.86442109
C 4.37719375 5.80755842 0.74317859
H 4.60660773 4.24299273 -0.70406333
C 3.61111086 6.30897860 1.78164467
H 1.87188168 6.02944719 3.00169383
H 5.26593465 6.33235055 0.42386682
H 3.90342086 7.22566140 2.27214046
C 3.46864575 2.10189192 -1.55546107
C 4.58774615 1.32020168 -1.30094116
C 3.31281146 2.70910619 -2.79693723
C 5.54721158 1.14717128 -2.28229880
H 4.69888253 0.85743811 -0.33116711
C 4.27939708 2.54008737 -3.77043307
H 2.42986859 3.29938766 -2.99623150
C 5.39693177 1.76113595 -3.51444866
H 6.41584198 0.53525032 -2.08571221
H 4.16106189 3.01387524 -4.73410502
H 6.14889431 1.62924918 -4.27856970
C 3.38773270 -2.47436036 1.38819124
C 4.53447645 -1.74815887 1.09611602
C 3.26269592 -3.11157234 2.61827944
C 5.55087162 -1.65729354 2.03021899
H 4.62101510 -1.26242834 0.13521683
C 4.28497066 -3.02397182 3.54421680
H 2.36000502 -3.65971506 2.84738767
C 5.42939719 -2.29848745 3.25152160
H 6.44128507 -1.08807450 1.80479746
H 4.18977434 -3.51985726 4.49936566
H 6.22501883 -2.23027470 3.97885826
C 2.57434278 -4.25191965 -0.67595675
C 1.72307586 -4.70338204 -1.68182958
C 3.70774751 -4.98358706 -0.34732002
C 2.00459553 -5.87766537 -2.35101101
H 0.84188622 -4.12236380 -1.92143236
C 3.98429330 -6.16133639 -1.02149707
H 4.37082740 -4.63655543 0.43361227
C 3.13685476 -6.60810780 -2.02080390
H 1.34352386 -6.22758728 -3.12992533
H 4.86524238 -6.73129313 -0.76388021
H 3.35786877 -7.52722445 -2.54301494
130
conf 58  E=-192.86447046 Eh  dE=0.290 kcal/mol  pop=0.78%
Ir 0.13524414 -0.32983903 -0.05729124
C -0.91865769 0.72325334 1.41601194
C -0.31059109 1.09180294 2.63937128
C -2.23464356 1.21625723 1.30132468
C -0.92139224 1.86197830 3.60586106
H 0.67603724 0.70693743 2.86116635
C -2.86139560 2.03389870 2.25191526
C -2.19818696 2.37464476 3.40635729
H -0.40508076 2.07024238 4.53417241
H -2.66970297 2.99943410 4.15182725
C -1.54073478 -1.35864201 -0.78492696
C -2.88297588 -0.94135789 -0.72437650
C -1.39495062 -2.62377878 -1.39022101
C -3.96669852 -1.69057676 -1.20419874
C -2.43822406 -3.37629673 -1.88276624
H -0.39468806 -3.03134714 -1.49172264
C -3.74689221 -2.91423251 -1.79032527
H -2.24321279 -4.33584005 -2.34580238
H -4.57192181 -3.50287497 -2.16637848
C 0.22229815 -2.03941164 1.22925542
C -0.67541342 -2.11821312 2.31956581
C 0.96319812 -3.22990561 1.08382531
C -0.78561366 -3.19310777 3.17490206
H -1.32702599 -1.27877624 2.51594107
C 0.86126580 -4.34490847 1.92890197
C -0.00683587 -4.32858451 2.99215865
H -1.49274388 -3.15714288 3.99418487
H -0.09097625 -5.17915030 3.65405741
C 1.39138239 -1.11533648 -1.60625794
C 2.04068385 -2.36452378 -1.65672504
C 1.66734246 -0.34869405 -2.76263817
C 2.77423364 -2.84743602 -2.75107226
C 2.38798361 -0.79219370 -3.85121044
H 1.28872096 0.66079202 -2.82050803
C 2.93068400 -2.07068402 -3.87251250
H 2.52836705 -0.13769588 -4.70226768
H 3.47484407 -2.43576616 -4.73219804
C -0.33467364 1.30145131 -1.29403059
C -1.09020631 1.12348548 -2.47899293
C -0.00086847 2.65302106 -1.07289886
C -1.45108602 2.14568205 -3.33073597
H -1.35270649 0.11682021 -2.77636853
C -0.38887201 3.71377428 -1.90408676
C -1.12525704 3.46465051 -3.03734297
H -1.99149547 1.92199482 -4.24144084
H -1.41918949 4.27000028 -3.69558818
C 1.90872675 0.49428765 0.68610668
C 2.25841736 1.85324928 0.78445401
C 2.91140102 -0.35497739 1.19400620
C 3.46975585 2.32324292 1.31115179
C 4.10156597 0.07448133 1.73728308
H 2.72893309 -1.42385532 1.17837610
C 4.39810735 1.43224435 1.79504013
H 4.81332159 -0.64627229 2.11996423
H 5.33421625 1.77906808 2.20961775
H -3.87819305 2.37656879 2.08825247
H -4.97870580 -1.31277729 -1.10217906
H 1.44914545 -5.23419686 1.72977293
H 3.21749051 -3.83622791 -2.71028199
H -0.08196367 4.72792704 -1.66841154
H 3.67931651 3.38774602 1.32816775
P -3.32772022 0.62858135 0.00898515
P 1.14297567 3.12998836 0.22047265
P 2.13555454 -3.47009354 -0.25125106
C -3.78540987 1.89836190 -1.20861423
C -3.62492244 3.24243939 -0.90035226
C -4.37449458 1.52613842 -2.41260684
C -4.04772020 4.21077729 -1.79331690
H -3.17056490 3.51689206 0.04025987
C -4.80201749 2.49817180 -3.29700602
H -4.48112609 0.47826891 -2.65441356
C -4.64011632 3.84010176 -2.98870357
H -3.91796673 5.25697915 -1.55598134
H -5.26111073 2.21108167 -4.23191624
H -4.97304911 4.59669322 -3.68399297
C -4.89922703 0.31087474 0.86967180
C -4.86859523 -0.68024320 1.84799860
C -6.07842778 0.99975839 0.61841157
C -6.00971366 -0.98025788 2.56494056
H -3.94149410 -1.20882787 2.02846692
C -7.22000675 0.69403668 1.34054716
H -6.10615805 1.77070857 -0.13977575
C -7.18752186 -0.29246120 2.31125428
H -5.98561494 -1.74993916 3.32206269
H -8.13751709 1.22928790 1.14304282
H -8.08089561 -0.52658790 2.87110793
C 0.35594085 4.03844201 1.58395670
C -0.84920713 4.69492941 1.37086192
C 0.99377055 4.14059973 2.81548567
C -1.41270841 5.45141666 2.38254813
H -1.33366055 4.61155010 0.40894520
C 0.43130213 4.90679031 3.81915760
H 1.91999556 3.61001921 2.98339451
C -0.77030874 5.56316586 3.60420798
H -2.35296301 5.95769007 2.21755844
H 0.92843085 4.99052446 4.77462787
H -1.20813382 6.15866052 4.39183504
C 2.22445310 4.37402590 -0.54648505
C 2.98854655 3.92923411 -1.62296735
C 2.32750334 5.69060706 -0.11834954
C 3.85029477 4.79679628 -2.26371166
H 2.89574905 2.89797562 -1.93878622
C 3.19441787 6.55592171 -0.76501524
H 1.73550533 6.03721689 0.71804040
C 3.95422703 6.11185770 -1.83372221
H 4.44432057 4.45189970 -3.09701654
H 3.27706563 7.57987670 -0.43056082
H 4.63007361 6.79062432 -2.33253106
C 3.87494820 -3.44720918 0.31348980
C 4.78037481 -2.54902892 -0.24298154
C 4.29930255 -4.31521331 1.31514368
C 6.09468157 -2.53330090 0.18622329
H 4.44870783 -1.85819561 -1.00425178
C 5.61398267 -4.29208966 1.74351306
H 3.60322177 -5.01167292 1.75941278
C 6.51509220 -3.40462049 1.17764291
H 6.79121251 -1.83353482 -0.25181747
H 5.93693840 -4.96934888 2.52074471
H 7.54186712 -3.38984772 1.51263304
C 1.92393264 -5.18241208 -0.83432544
C 3.00961630 -5.96114280 -1.22292821
C 0.63544264 -5.69840304 -0.94147601
C 2.80623331 -7.23941722 -1.71182523
H 4.01554023 -5.57249692 -1.13400057
C 0.43862983 -6.97630769 -1.42993653
H -0.20572722 -5.09784699 -0.62540397
C 1.52252181 -7.74815675 -1.81766653
H 3.65347423 -7.83987788 -2.00994136
H -0.56286688 -7.37358272 -1.50641501
H 1.36776101 -8.74688015 -2.19842788
130
conf 59  E=-192.86444801 Eh  dE=0.304 kcal/mol  pop=0.76%
Ir -0.35566972 -0.02465589 0.01868941
C -1.65011658 0.72029814 1.55851111
C -1.10880683 1.36342860 2.69673569
C -3.05840372 0.73111432 1.58974177
C -1.84661474 1.86764195 3.74646130
H -0.03762373 1.47406053 2.77312273
C -3.83722074 1.22549983 2.64738227
C -3.23298803 1.78284734 3.74732681
H -1.33843791 2.33096786 4.58292951
H -3.81834195 2.15568533 4.57611990
C -1.89210086 -0.78976371 -1.26292924
C -3.28844743 -0.79338849 -1.06285003
C -1.52237670 -1.60977141 -2.35466435
C -4.20610814 -1.52650639 -1.82996003
C -2.40352950 -2.32209846 -3.13925207
H -0.47494389 -1.69143825 -2.60892674
C -3.76766720 -2.29695958 -2.87844404
H -2.02929426 -2.91834781 -3.96220030
H -4.46340842 -2.86936691 -3.47605134
C -0.44746731 -2.00327963 0.70693805
C -1.61591427 -2.48526736 1.33180019
C 0.54315376 -2.99392130 0.57598190
C -1.78840357 -3.78201421 1.76329856
H -2.42899827 -1.78686677 1.50020416
C 0.39089919 -4.32434477 0.99088404
C -0.78195786 -4.72543482 1.58499877
H -2.71256361 -4.07623447 2.24583051
H -0.91638267 -5.74844798 1.90743038
C 1.08438220 -0.40044918 -1.45976313
C 2.15527932 -1.31170527 -1.36186483
C 1.13290944 0.35714130 -2.65435688
C 3.19854069 -1.41638449 -2.29238128
C 2.12985115 0.24844257 -3.59997514
H 0.31666969 1.03347697 -2.87036461
C 3.20060581 -0.61828956 -3.41091024
H 2.08069444 0.84144886 -4.50429686
H 3.99655128 -0.68643173 -4.13910973
C -0.48920110 1.93124316 -0.70465666
C -1.70119471 2.38075452 -1.26556078
C 0.51717524 2.91277635 -0.74421248
C -1.89622930 3.63208393 -1.80609465
H -2.53426394 1.68736647 -1.29821963
C 0.34387402 4.20375066 -1.26286384
C -0.86714406 4.56810792 -1.80181542
H -2.85533933 3.89251952 -2.23580070
H -1.01460305 5.55683926 -2.21311687
C 1.28025427 0.32528402 1.28927242
C 2.28223600 1.30347015 1.13438750
C 1.47669900 -0.46360855 2.44940944
C 3.36916046 1.47299178 2.00441718
C 2.51823546 -0.29442202 3.33623688
H 0.73320389 -1.20876187 2.69871653
C 3.49731576 0.66562806 3.10900222
H 2.57481715 -0.91136144 4.22371861
H 4.32174677 0.79321173 3.79626584
H -4.91897198 1.16620049 2.59554248
H -5.26193033 -1.50735198 -1.58060505
H 1.19128630 -5.03966588 0.83255337
H 3.99099826 -2.14237140 -2.14045367
H 1.16068820 4.91744326 -1.23049467
H 4.09282600 2.26102947 1.82126418
P -4.06504652 0.20162809 0.20728167
P 2.15754967 2.57361043 -0.12178439
P 2.14233152 -2.60603005 -0.12467919
C -4.85847721 1.68971896 -0.49962261
C -4.63228169 2.94866353 0.04680443
C -5.69086522 1.56104416 -1.60754520
C -5.24908577 4.06026262 -0.49783713
H -3.96412749 3.05499563 0.88890752
C -6.30211420 2.67653575 -2.14968680
H -5.85493988 0.58845395 -2.04834403
C -6.08692710 3.92712303 -1.59294769
H -5.06892102 5.03512727 -0.06884970
H -6.94741260 2.57054046 -3.00956574
H -6.56597932 4.79721678 -2.01744621
C -5.48586209 -0.72862234 0.86405893
C -5.32996131 -2.08280582 1.14548294
C -6.69273679 -0.10108983 1.15674395
C -6.36692255 -2.79621086 1.71653812
H -4.39826039 -2.57171730 0.89961099
C -7.72722673 -0.82042318 1.72833340
H -6.82602880 0.94877430 0.93144969
C -7.56530982 -2.16603071 2.01273266
H -6.24187188 -3.84735877 1.93138348
H -8.66188283 -0.32753253 1.95340495
H -8.37396430 -2.72364025 2.46161745
C 2.65732386 4.10844662 0.71247039
C 1.83438109 4.52034964 1.75823528
C 3.77464876 4.85758049 0.36969651
C 2.12857872 5.67582090 2.45410277
H 0.96638890 3.92314906 2.00705247
C 4.06383184 6.01610021 1.07155146
H 4.41312593 4.53776391 -0.44300437
C 3.24451036 6.42501247 2.11009472
H 1.49010444 5.99652293 3.26387356
H 4.93174414 6.60153252 0.80485616
H 3.47465975 7.33003861 2.65254735
C 3.38783283 2.36887657 -1.44388416
C 4.53522496 1.62326529 -1.20461154
C 3.21592807 3.00276622 -2.66954574
C 5.50699558 1.51543301 -2.18274587
H 4.65932256 1.13627536 -0.24839419
C 4.19587463 2.90070739 -3.63935401
H 2.31148160 3.56224280 -2.86047560
C 5.34142070 2.15915236 -3.39761520
H 6.39664162 0.93097759 -1.99674105
H 4.06562131 3.39741608 -4.58977940
H 6.10338481 2.07948987 -4.15900470
C 3.43916453 -2.42666236 1.13549798
C 3.37780690 -3.17456055 2.30667404
C 4.52798430 -1.59959753 0.89466254
C 4.40512266 -3.09219600 3.22748303
H 2.52002589 -3.80467314 2.49466075
C 5.54905898 -1.51552040 1.82379265
H 4.56267650 -1.02879975 -0.02159982
C 5.49053847 -2.26394723 2.98753468
H 4.36007412 -3.67268279 4.13756281
H 6.39387486 -0.86725054 1.64023376
H 6.28952220 -2.19937000 3.71148337
C 2.65353525 -4.09523265 -1.03469739
C 3.82703058 -4.79428087 -0.78423524
C 1.80493191 -4.50580086 -2.06025652
C 4.14613709 -5.89931099 -1.55559762
H 4.48854295 -4.47715663 0.01064306
C 2.12897896 -5.60792233 -2.82625861
H 0.89360476 -3.94999552 -2.23917792
C 3.30150638 -6.30545450 -2.57463259
H 5.05892124 -6.44324647 -1.35994682
H 1.47096871 -5.92611529 -3.62124289
H 3.55679154 -7.16667374 -3.17423417
130
conf 60  E=-192.86442656 Eh  dE=0.318 kcal/mol  pop=0.74%
Ir 0.24311380 0.24883531 -0.01654138
C -1.28577523 1.43716843 0.76957747
C -0.97081393 2.68818936 1.33572106
C -2.65783885 1.14055328 0.85476941
C -1.88490017 3.53593958 1.92026255
H 0.06787523 2.99900514 1.33523447
C -3.61771368 1.99068135 1.42185855
C -3.23269009 3.19441070 1.96283225
H -1.55590714 4.47441370 2.34850532
H -3.95955321 3.85753162 2.41048406
C -0.99696378 -0.88327832 -1.27746072
C -2.36093923 -1.17937358 -1.08383198
C -0.48818126 -1.45658415 -2.46887965
C -3.13315315 -1.96933804 -1.94781530
C -1.23540182 -2.20977542 -3.34892018
H 0.53527668 -1.24363527 -2.74755437
C -2.56900890 -2.49813906 -3.08390478
H -0.78284413 -2.57841113 -4.26034532
H -3.15466297 -3.09831648 -3.76589342
C -0.21514151 -1.18835951 1.43939138
C -0.82483419 -0.83244495 2.66592461
C -0.07486577 -2.58383291 1.29715416
C -1.26367420 -1.74164074 3.60442621
H -0.91348335 0.21720131 2.91266182
C -0.54592779 -3.52830192 2.21979414
C -1.16249317 -3.10916331 3.37406074
H -1.69014350 -1.39080865 4.53552211
H -1.52973682 -3.82396911 4.09703865
C 1.91408830 -0.77045845 -0.76878565
C 2.16446512 -2.15331130 -0.69791821
C 2.96542821 -0.06065833 -1.38449498
C 3.33285691 -2.77036795 -1.16679673
C 4.11758443 -0.64097294 -1.86731422
H 2.85643019 1.01225876 -1.50305104
C 4.31808250 -2.01286512 -1.75417202
H 4.87702306 -0.02990490 -2.33991927
H 5.22554254 -2.47343252 -2.11894666
C 0.33486746 1.76167058 -1.53533378
C -0.50549614 1.68754130 -2.67122203
C 1.13202270 2.92281372 -1.56745059
C -0.48954067 2.57518866 -3.72601589
H -1.21743485 0.87895398 -2.74150316
C 1.17784175 3.83979765 -2.62881936
C 0.38059350 3.65770612 -3.73209752
H -1.15996882 2.42317384 -4.56264385
H 0.41747080 4.34429614 -4.56620618
C 1.75854894 1.07100182 1.25428190
C 2.51498549 2.24952504 1.08639402
C 2.25764604 0.28118956 2.31629528
C 3.62365539 2.60825708 1.86754619
C 3.33209064 0.61733593 3.11127882
H 1.76908836 -0.65739577 2.53728771
C 4.03728392 1.79386244 2.89260067
H 3.63844527 -0.04720709 3.90956465
H 4.89067310 2.05776562 3.50158065
H -4.66428113 1.70406683 1.42534554
H -4.18414289 -2.13813656 -1.73519459
H -0.40292213 -4.58797570 2.03378753
H 3.46623097 -3.84150251 -1.05511803
H 1.84534852 4.69307472 -2.57729460
H 4.17352632 3.51731557 1.64750431
P -3.30683188 -0.39942847 0.22207324
P 2.11929884 3.45947315 -0.17402198
P 0.95913603 -3.27156603 0.00645668
C -4.88467624 0.05965638 -0.55392395
C -4.80061287 1.00343103 -1.57506369
C -6.11801569 -0.46209190 -0.18864898
C -5.94499084 1.42311089 -2.22324501
H -3.82925364 1.39987782 -1.84188693
C -7.26231884 -0.03704574 -0.84317768
H -6.18319784 -1.19452773 0.60486542
C -7.17767750 0.90261153 -1.85649605
H -5.88073851 2.15690708 -3.01296486
H -8.22316769 -0.44071198 -0.55894706
H -8.07386115 1.23162523 -2.36143476
C -3.78698534 -1.56036755 1.53586705
C -4.15909049 -1.08721481 2.78932408
C -3.84193979 -2.92181255 1.26510014
C -4.59744868 -1.97300174 3.75604783
H -4.09197774 -0.03029320 3.00375396
C -4.27082780 -3.80436010 2.23979255
H -3.55244151 -3.27926221 0.28754384
C -4.65496303 -3.33041557 3.48303707
H -4.89102074 -1.60546670 4.72853948
H -4.30880045 -4.86349230 2.02898055
H -4.99497464 -4.01971187 4.24192309
C 1.30925235 4.94274552 0.52485590
C 0.13290111 5.43773084 -0.02861941
C 1.86728222 5.57594232 1.63151391
C -0.46368774 6.56445788 0.50713605
H -0.31763658 4.93151714 -0.86981119
C 1.26433956 6.70024963 2.16485780
H 2.77032790 5.18556584 2.07797719
C 0.10128220 7.19984843 1.60079045
H -1.37703725 6.94351333 0.07241802
H 1.70216613 7.18805705 3.02364502
H -0.36740953 8.07893729 2.01833932
C 3.69012002 4.12616786 -0.80858005
C 4.73111284 3.24252667 -1.07925159
C 3.84812195 5.48017032 -1.08705108
C 5.91301161 3.70948149 -1.62249752
H 4.61115564 2.19402554 -0.84664396
C 5.03370998 5.94177606 -1.63097653
H 3.04667381 6.17465650 -0.87214145
C 6.06549928 5.05860146 -1.90182428
H 6.71913762 3.02061491 -1.82823172
H 5.15104944 6.99442677 -1.84429803
H 6.98890326 5.42226767 -2.32760917
C 1.92878779 -4.55353055 0.85830937
C 1.80958204 -5.91392628 0.60573073
C 2.80435070 -4.10349707 1.84416415
C 2.56602598 -6.81666283 1.33428188
H 1.12909619 -6.26694782 -0.15764896
C 3.55653148 -5.00835859 2.56653170
H 2.88506121 -3.03959052 2.02635081
C 3.43703862 -6.36704938 2.31218858
H 2.47294291 -7.87501902 1.13719406
H 4.23666777 -4.65879890 3.32931642
H 4.02358700 -7.07597202 2.87773022
C 0.04597853 -4.21950540 -1.24676847
C 0.66567786 -4.56177708 -2.44403671
C -1.23856262 -4.67058568 -0.97515537
C -0.00067167 -5.35383295 -3.35967746
H 1.65937103 -4.19362180 -2.65591286
C -1.90289194 -5.45728376 -1.89892932
H -1.70504431 -4.39971117 -0.03953921
C -1.28383573 -5.80278790 -3.08828558
H 0.47900153 -5.62132213 -4.28983889
H -2.90460200 -5.80470416 -1.69076535
H -1.80241562 -6.41945491 -3.80775887
130
conf 61  E=-192.86442558 Eh  dE=0.318 kcal/mol  pop=0.74%
Ir -0.38537085 0.13969700 0.02792010
C -1.74450439 1.04528935 1.41441593
C -1.21697696 1.80922640 2.48184463
C -3.14307100 1.19809516 1.31109512
C -1.96270669 2.60014335 3.32900911
H -0.15176579 1.77773233 2.66338235
C -3.92458991 2.01088938 2.14574030
C -3.33703004 2.71850347 3.16507511
H -1.47247159 3.14512929 4.12615966
H -3.92673356 3.35178569 3.81328421
C -1.85026454 -0.42766822 -1.43312976
C -3.25057307 -0.28771106 -1.37001884
C -1.45691465 -1.10033084 -2.61423521
C -4.14528467 -0.67311943 -2.38026673
C -2.31133027 -1.49897889 -3.61992474
H -0.41122270 -1.32344041 -2.76373415
C -3.67758479 -1.26665850 -3.52669784
H -1.91149851 -1.99436134 -4.49585937
H -4.35237849 -1.55597164 -4.32010171
C -0.68347706 -1.80218999 0.74015822
C -1.89809631 -2.12787752 1.37589249
C 0.21187291 -2.88620738 0.70605383
C -2.19137804 -3.35870136 1.91906750
H -2.64758640 -1.34960708 1.46868024
C -0.06507308 -4.15815685 1.22683519
C -1.27079201 -4.39875719 1.84174163
H -3.14324768 -3.52122781 2.40888641
H -1.49637419 -5.37158018 2.25549391
C 1.11806852 -0.36342193 -1.35103919
C 2.01378741 -1.44813779 -1.27463284
C 1.32660197 0.42188663 -2.51154309
C 3.01646426 -1.71940285 -2.21697958
C 2.28575775 0.15861794 -3.46582857
H 0.65497512 1.24783702 -2.70350527
C 3.16417733 -0.90798630 -3.31620784
H 2.35445247 0.78432705 -4.34628172
H 3.92406974 -1.11149063 -4.05743327
C -0.30157923 2.12750467 -0.63207127
C -1.44653395 2.74730739 -1.17321166
C 0.80291814 2.99658320 -0.56433155
C -1.49704112 4.05977962 -1.58822641
H -2.34462420 2.14909712 -1.28664229
C 0.77726635 4.34014645 -0.96380525
C -0.37848774 4.87913167 -1.47675926
H -2.41174951 4.46342960 -2.00492853
H -0.41502200 5.91395332 -1.78717722
C 1.17613091 0.33027036 1.41552332
C 2.33487250 1.11632423 1.25462800
C 1.21580901 -0.44707447 2.59762465
C 3.44175529 1.08780634 2.11438044
C 2.27884456 -0.46800603 3.47472455
H 0.34360669 -1.02996960 2.86186963
C 3.42671494 0.27516506 3.22223236
H 2.22202289 -1.06639429 4.37501356
H 4.27157876 0.24013318 3.89562412
H -4.99159348 2.10312678 1.97194557
H -5.20866767 -0.50062436 -2.25491113
H 0.66692392 -4.95422299 1.13644308
H 3.65598373 -2.58781228 -2.09411912
H 1.66311870 4.95764193 -0.85712193
H 4.29933988 1.72323230 1.91721037
P -4.10339850 0.31583274 0.08368783
P 2.38891230 2.42313347 0.03180469
P 1.83312329 -2.71996416 -0.02692989
C -5.45455496 1.40629872 -0.46501154
C -5.17272345 2.74253665 -0.73417284
C -6.73740759 0.91643086 -0.68979341
C -6.16149465 3.57448477 -1.22466550
H -4.18041195 3.12468746 -0.54180123
C -7.72276157 1.75367084 -1.18214900
H -6.96765962 -0.11849649 -0.47381302
C -7.43639461 3.08115085 -1.45349762
H -5.93880272 4.61129222 -1.42980944
H -8.71678268 1.36724622 -1.35499718
H -8.20735917 3.73121227 -1.83994776
C -5.00568342 -1.09451750 0.81883118
C -4.93640128 -2.36124069 0.24847853
C -5.76071296 -0.90036771 1.97171035
C -5.63101704 -3.41425040 0.81525702
H -4.32853487 -2.52023594 -0.63024658
C -6.45069455 -1.95772626 2.53548527
H -5.80404442 0.07723888 2.42959509
C -6.39140866 -3.21503845 1.95589490
H -5.57225572 -4.39563676 0.36771445
H -7.03545267 -1.80133966 3.43030550
H -6.93125868 -4.03966391 2.39791993
C 3.11137068 3.83347471 0.92431288
C 2.36544930 4.32598163 1.99277999
C 4.34468247 4.39563381 0.62234163
C 2.85036724 5.37398956 2.74961160
H 1.40555772 3.87638930 2.21179022
C 4.82558914 5.44670827 1.38523506
H 4.92654756 4.01461136 -0.20611239
C 4.08256200 5.93485278 2.44654600
H 2.27183812 5.75592374 3.57768079
H 5.78483545 5.88445741 1.14947685
H 4.46365118 6.75351898 3.03896171
C 3.58366208 2.12244942 -1.30406965
C 4.58460316 1.17479216 -1.13770048
C 3.53935862 2.89323244 -2.46120446
C 5.53541736 0.99549323 -2.12616307
H 4.60725026 0.58566820 -0.23269151
C 4.49624757 2.71390503 -3.44202889
H 2.74782501 3.61755939 -2.59113540
C 5.49466248 1.76663414 -3.27567763
H 6.31200304 0.25470253 -2.00005865
H 4.46393765 3.31169507 -4.34135595
H 6.23897348 1.62732792 -4.04589521
C 3.16709316 -2.67766073 1.20732830
C 4.37860855 -2.07614109 0.89000584
C 3.00112328 -3.29144977 2.44389986
C 5.41902470 -2.09272161 1.80102853
H 4.49848285 -1.60230876 -0.07338266
C 4.04834470 -3.31427817 3.34627733
H 2.04985806 -3.73736313 2.69630641
C 5.25713146 -2.71689664 3.02660156
H 6.35905411 -1.62025107 1.55430748
H 3.92144789 -3.79540918 4.30512444
H 6.07183540 -2.73349380 3.73558260
C 2.09483069 -4.28483471 -0.91277573
C 1.15551079 -4.58150363 -1.89778706
C 3.14178118 -5.16137236 -0.66279876
C 1.26434584 -5.74935311 -2.62591556
H 0.34510731 -3.88571084 -2.07422632
C 3.24510552 -6.33140716 -1.39697505
H 3.87050266 -4.93106595 0.10298172
C 2.31048879 -6.62552510 -2.37527639
H 0.53573164 -5.98060622 -3.38876371
H 4.05818636 -7.01575450 -1.20277772
H 2.39561657 -7.54014726 -2.94321864
130
conf 62  E=-192.86442168 Eh  dE=0.321 kcal/mol  pop=0.74%
Ir 0.05177173 -0.41218257 -0.00301624
C -0.90458894 0.80776051 1.41184313
C -0.25359852 1.21142429 2.60194467
C -2.16988058 1.41108918 1.26541277
C -0.77392294 2.11929727 3.49933698
H 0.69148589 0.75036510 2.85581514
C -2.70589230 2.36087627 2.14606171
C -1.99690987 2.73651157 3.26161043
H -0.22774249 2.35518719 4.40370392
H -2.39488833 3.46751643 3.95133267
C -1.70522491 -1.32350276 -0.69623729
C -3.01568094 -0.81925348 -0.60575464
C -1.65826299 -2.60841582 -1.27530779
C -4.16137451 -1.51650103 -1.01411575
C -2.76469984 -3.31111688 -1.69881022
H -0.68623908 -3.07069127 -1.41087310
C -4.03945758 -2.77207742 -1.55996315
H -2.64871313 -4.29207813 -2.14345821
H -4.91331948 -3.32459478 -1.87569228
C -0.05992652 -2.08016409 1.33537475
C -0.99595427 -2.03863167 2.39508093
C 0.50801250 -3.36398787 1.19640751
C -1.32190491 -3.10834185 3.20062657
H -1.49817831 -1.10452993 2.60497013
C 0.18028649 -4.47537141 1.98717872
C -0.74070743 -4.35373136 2.99825936
H -2.04769158 -2.98186906 3.99440167
H -1.00699714 -5.20300526 3.61198883
C 1.28857277 -1.35219997 -1.48253557
C 1.88602592 -2.62730591 -1.44144874
C 1.66929072 -0.64647145 -2.64839071
C 2.68534815 -3.17560380 -2.45648831
C 2.46007203 -1.15339911 -3.65749419
H 1.32144751 0.36675123 -2.78154382
C 2.96541005 -2.44512127 -3.58498062
H 2.68539226 -0.53861511 -4.51998822
H 3.56863151 -2.85832863 -4.38118485
C -0.26435696 1.17859723 -1.33895877
C -1.05090011 1.00011823 -2.50367233
C 0.22504394 2.49462315 -1.22408426
C -1.30615703 1.99061305 -3.42775503
H -1.42973816 0.01113573 -2.72416264
C -0.04676759 3.52687548 -2.13377633
C -0.82514880 3.28083926 -3.23926725
H -1.88377098 1.76310376 -4.31441131
H -1.03286757 4.06252301 -3.95629142
C 1.87915558 0.28211069 0.73554622
C 2.37712799 1.59722830 0.72670232
C 2.76244182 -0.62269696 1.35725231
C 3.62033029 1.97650417 1.25233747
C 3.97666523 -0.27802181 1.90754634
H 2.45638697 -1.66009730 1.43384005
C 4.42637925 1.03710986 1.85039217
H 4.58755749 -1.03280410 2.38649785
H 5.38428300 1.31467519 2.26735525
H -3.68858542 2.78181821 1.95839107
H -5.14344891 -1.07262852 -0.88817329
H 0.63466754 -5.43985078 1.78510401
H 3.08086042 -4.17993901 -2.34956064
H 0.38220603 4.51205449 -1.98004588
H 3.95047763 3.00762391 1.17864943
P -3.32538022 0.82335996 0.03041827
P 1.42153147 2.93784580 0.03221903
P 1.77835356 -3.70712842 -0.01762587
C -3.67052063 2.03596958 -1.27829574
C -3.35864855 3.37482728 -1.08338867
C -4.31504391 1.63307277 -2.44336077
C -3.68749243 4.30705534 -2.05082021
H -2.85925144 3.67265279 -0.17311822
C -4.64630549 2.57041093 -3.40332187
H -4.53971163 0.58687728 -2.59563863
C -4.33463068 3.90703843 -3.20798766
H -3.44125199 5.34870707 -1.90229911
H -5.14715856 2.25981793 -4.30884749
H -4.59330976 4.63628838 -3.96158603
C -4.90670708 0.71295248 0.92193473
C -4.94996287 -0.19688214 1.97590487
C -6.01824778 1.49391847 0.63401446
C -6.09740200 -0.32341484 2.73331969
H -4.07473890 -0.79888967 2.18325319
C -7.16643872 1.36198899 1.39707281
H -5.98714721 2.20167485 -0.18342835
C -7.20694834 0.45778144 2.44474828
H -6.13094360 -1.02864765 3.55048353
H -8.03129156 1.96940601 1.17267940
H -8.10419991 0.36132417 3.03809319
C 0.72232776 4.03495191 1.30162217
C -0.41880801 4.77526323 1.01925951
C 1.35545631 4.17893751 2.53138240
C -0.91955912 5.65920595 1.95771723
H -0.90423554 4.65547614 0.06164905
C 0.85595604 5.07135029 3.46153395
H 2.22794750 3.58277950 2.75681289
C -0.27929324 5.81309410 3.17597979
H -1.80926048 6.23179839 1.73815614
H 1.35029303 5.18716866 4.41509063
H -0.66802264 6.50781132 3.90598406
C 2.64229971 3.97128351 -0.82950586
C 3.36340458 3.33389240 -1.83666235
C 2.87849930 5.30901748 -0.54402866
C 4.31568591 4.03246525 -2.55145543
H 3.16559463 2.28921273 -2.04061208
C 3.83555541 6.00402691 -1.26489119
H 2.31867320 5.80322726 0.23882507
C 4.55228604 5.36930429 -2.26513446
H 4.87629190 3.53854719 -3.33120948
H 4.02205912 7.04482665 -1.04324616
H 5.29792656 5.91636760 -2.82287609
C 3.43608889 -3.79209703 0.74934522
C 3.61289970 -4.53367763 1.91371565
C 4.51881814 -3.12153435 0.19035105
C 4.86265655 -4.61756961 2.49934838
H 2.77014440 -5.03803160 2.36396677
C 5.76721946 -3.21247054 0.77867433
H 4.37712805 -2.52064908 -0.69609747
C 5.94305127 -3.96272445 1.92985477
H 4.99473415 -5.19441982 3.40315589
H 6.60430794 -2.68946780 0.33976974
H 6.91882268 -4.03079092 2.38814324
C 1.53900370 -5.40794843 -0.62255835
C 2.61596248 -6.26302360 -0.83436374
C 0.25315644 -5.82884626 -0.94936157
C 2.40681060 -7.52109562 -1.37101857
H 3.61773931 -5.94760017 -0.57424106
C 0.05031807 -7.08672430 -1.48489042
H -0.58284944 -5.16904325 -0.76680720
C 1.12645202 -7.93322746 -1.70057678
H 3.24717874 -8.18028390 -1.53375963
H -0.94951279 -7.40925709 -1.73577869
H 0.96760677 -8.91464286 -2.12238797
130
conf 63  E=-192.86441785 Eh  dE=0.323 kcal/mol  pop=0.74%
Ir 0.22976272 0.29694548 -0.01702465
C -1.32090212 1.53905496 0.63434332
C -1.01836499 2.80756884 1.16905757
C -2.70063101 1.26625367 0.64895535
C -1.95196200 3.69026048 1.66470907
H 0.02311503 3.10518401 1.21751654
C -3.67823729 2.15226635 1.12337050
C -3.30554502 3.37075055 1.63931067
H -1.63345190 4.64033118 2.07513196
H -4.04642646 4.06202138 2.01583883
C -0.95384628 -0.87072534 -1.30028525
C -2.33209895 -1.13585356 -1.17570153
C -0.38720825 -1.50155639 -2.43484721
C -3.06723607 -1.94939070 -2.04992025
C -1.09605492 -2.27859087 -3.32591548
H 0.65433352 -1.31673647 -2.66158693
C -2.44772698 -2.53450996 -3.12818263
H -0.59833870 -2.69199894 -4.19354410
H -3.00363703 -3.15370420 -3.81800277
C -0.33341051 -1.07645626 1.46507084
C -1.01293525 -0.66645782 2.63708066
C -0.20085981 -2.47764981 1.38709034
C -1.51670831 -1.53324425 3.58306683
H -1.10510421 0.39300920 2.83603944
C -0.73662215 -3.38021122 2.31648589
C -1.41592865 -2.90980774 3.41430790
H -1.99461093 -1.14157707 4.47191127
H -1.83211190 -3.59165902 4.14256223
C 1.92818185 -0.76974543 -0.62883714
C 2.15840569 -2.15032763 -0.48579174
C 3.02066102 -0.09692115 -1.21323746
C 3.34529811 -2.79700816 -0.85822661
C 4.19199722 -0.70742684 -1.60388912
H 2.93165534 0.97115483 -1.38327013
C 4.37098668 -2.07445146 -1.41967211
H 4.98354170 -0.12384940 -2.05801846
H 5.29286311 -2.55812354 -1.71084046
C 0.42386481 1.74011347 -1.59062371
C -0.37478887 1.63913870 -2.75422696
C 1.25516093 2.87595541 -1.64149739
C -0.29195628 2.47784176 -3.84522384
H -1.10744018 0.84859904 -2.81692386
C 1.36765363 3.74394659 -2.73810940
C 0.60895857 3.53490303 -3.86332079
H -0.93389920 2.30740786 -4.70041471
H 0.69766442 4.18292210 -4.72391855
C 1.67720078 1.15815190 1.30534488
C 2.47181393 2.30870082 1.12109594
C 2.08174044 0.42602863 2.44595880
C 3.52869182 2.69488319 1.95855631
C 3.10379325 0.79076711 3.29561485
H 1.55637445 -0.48689741 2.68809149
C 3.84929669 1.93845922 3.05849298
H 3.33593662 0.17190571 4.15341607
H 4.66220722 2.22418582 3.71138581
H -4.72798554 1.88171088 1.07469966
H -4.13156070 -2.09271988 -1.89183953
H -0.59382930 -4.44770061 2.18157845
H 3.46022230 -3.86317859 -0.69259925
H 2.05533181 4.58119195 -2.69648078
H 4.11297455 3.57848314 1.72528791
P -3.33757472 -0.28886542 0.04052985
P 2.19793833 3.45120355 -0.23221138
P 0.90114637 -3.22745231 0.19097462
C -4.86264036 0.16092767 -0.84010482
C -4.70482510 1.04812964 -1.90240657
C -6.12574514 -0.31107397 -0.51011479
C -5.80509299 1.46020915 -2.62733081
H -3.71179786 1.40743293 -2.14054504
C -7.22566900 0.10692472 -1.24088421
H -6.24879327 -0.99925530 0.31549208
C -7.06746334 0.98973787 -2.29565978
H -5.68349140 2.14967046 -3.44958848
H -8.20963187 -0.25738443 -0.98349575
H -7.92926519 1.31371104 -2.86017137
C -3.90822750 -1.39292325 1.36690121
C -3.95255333 -2.76407673 1.14881814
C -4.35963639 -0.86759106 2.57268263
C -4.45087686 -3.60445793 2.12777958
H -3.59970051 -3.16206498 0.20854934
C -4.86578259 -1.71161561 3.54358253
H -4.30065047 0.19700478 2.74768346
C -4.91375736 -3.07883765 3.32238894
H -4.48132186 -4.67122071 1.95815388
H -5.22094821 -1.30370453 4.47871436
H -5.30797701 -3.73534027 4.08413413
C 1.40526581 4.99879918 0.33157381
C 0.20600433 5.42307279 -0.23148456
C 1.99335960 5.75299407 1.34275151
C -0.38622475 6.59519236 0.20171672
H -0.26430943 4.82720962 -0.99997786
C 1.39565008 6.92319736 1.77315166
H 2.91993449 5.42577393 1.79186984
C 0.20724749 7.34854298 1.20125660
H -1.31770677 6.91780849 -0.23987141
H 1.85840337 7.50588160 2.55639744
H -0.25705701 8.26377578 1.53816008
C 3.82500787 4.02378114 -0.81547852
C 4.86069780 3.10142975 -0.93414422
C 4.03217712 5.34237385 -1.20925842
C 6.08415303 3.49426317 -1.44366222
H 4.70388654 2.08219390 -0.61124988
C 5.25902492 5.72969332 -1.71809061
H 3.23696674 6.06932590 -1.10978455
C 6.28467359 4.80712259 -1.83978421
H 6.88517838 2.77508306 -1.53201680
H 5.41340882 6.75517598 -2.02099192
H 7.24033344 5.11250185 -2.23955636
C 1.80770077 -4.47527460 1.15499408
C 2.59145444 -3.98560027 2.19735224
C 1.73178324 -5.84298853 0.92790579
C 3.29348858 -4.85887596 3.00390624
H 2.64016646 -2.91617315 2.35704430
C 2.43904641 -6.71394039 1.74000171
H 1.12358794 -6.22617571 0.11958692
C 3.21670814 -6.22522961 2.77589619
H 3.90087281 -4.47894575 3.81196968
H 2.38047229 -7.77811947 1.56276548
H 3.76406559 -6.90944197 3.40727179
C 0.05612623 -4.21873045 -1.07651024
C -1.24551680 -4.65303184 -0.86463515
C 0.74075578 -4.60433695 -2.22442910
C -1.86178043 -5.46613564 -1.79873707
H -1.76374412 -4.34818859 0.03268299
C 0.12194071 -5.42252113 -3.15043477
H 1.74770907 -4.24895486 -2.39117731
C -1.17821968 -5.85447723 -2.93878503
H -2.87664350 -5.80036111 -1.63741388
H 0.65218311 -5.72327033 -4.04243505
H -1.65964619 -6.49120950 -3.66644895
130
conf 64  E=-192.86441650 Eh  dE=0.324 kcal/mol  pop=0.73%
Ir -0.39975010 0.04225552 0.08435618
C -1.68003981 0.77702900 1.63526374
C -1.12584199 1.29092493 2.82991506
C -3.08621008 0.86934795 1.63964106
C -1.85831732 1.75387617 3.90295223
H -0.05061095 1.32492336 2.92982906
C -3.85939368 1.31588699 2.72164315
C -3.24696804 1.74873012 3.87261341
H -1.34576168 2.11804015 4.78447060
H -3.82857851 2.08445570 4.71980532
C -1.95134031 -0.54837358 -1.27729029
C -3.34869552 -0.45766014 -1.11655822
C -1.61269445 -1.33339353 -2.40542244
C -4.29367385 -1.07391507 -1.95228148
C -2.51781885 -1.92567853 -3.25871938
H -0.56966303 -1.48950025 -2.63749054
C -3.88366945 -1.80870923 -3.03667693
H -2.16042900 -2.50040570 -4.10426987
H -4.60151717 -2.28793759 -3.68765673
C -0.65820997 -1.94208402 0.72271626
C -1.84817946 -2.33267083 1.37141310
C 0.25724129 -3.00165968 0.59872313
C -2.09439382 -3.59910390 1.85377099
H -2.61846412 -1.58475725 1.52182418
C 0.02828332 -4.30557437 1.06157417
C -1.15017325 -4.60855676 1.70032680
H -3.02851842 -3.81489071 2.35810502
H -1.33909861 -5.60704884 2.06888311
C 1.00283848 -0.38850397 -1.41360113
C 1.92185472 -1.45659502 -1.42691594
C 1.10590701 0.42539464 -2.56739476
C 2.86043361 -1.68284150 -2.44347148
C 1.99607141 0.20161498 -3.59591990
H 0.40562305 1.24137538 -2.68733492
C 2.90849199 -0.84484132 -3.53192748
H 1.98534462 0.84441367 -4.46673769
H 3.61788499 -1.01371301 -4.32978350
C -0.36896538 2.04973256 -0.47726835
C -1.56424798 2.66776421 -0.89227166
C 0.72278691 2.93773427 -0.46367251
C -1.67761110 3.99500784 -1.23961557
H -2.45648843 2.05196391 -0.95890557
C 0.63748895 4.29708658 -0.79393056
C -0.56823731 4.83289117 -1.18099227
H -2.63354305 4.39294251 -1.55624478
H -0.65077306 5.88002039 -1.43613910
C 1.27042726 0.18736715 1.34606654
C 2.40415451 0.99795833 1.13167085
C 1.41801254 -0.65038638 2.47782865
C 3.57642761 0.94496779 1.89885721
C 2.54553987 -0.69205509 3.26989212
H 0.57851749 -1.26302660 2.77875336
C 3.65856570 0.08411563 2.96665586
H 2.56794312 -1.33409693 4.14109375
H 4.55328260 0.03401630 3.57101950
H -4.94211675 1.31323231 2.64942834
H -5.35210989 -0.99699878 -1.72716308
H 0.77366296 -5.07847504 0.90513403
H 3.52885412 -2.53611382 -2.38559143
H 1.51768922 4.92848765 -0.73269287
H 4.40891106 1.60062984 1.66361137
P -4.09426383 0.48604713 0.20869289
P 2.35729774 2.35731217 -0.03314453
P 1.83312136 -2.77489788 -0.21640989
C -4.83742708 2.04167260 -0.40481642
C -4.66625890 3.23785727 0.28469635
C -5.58144273 2.02960226 -1.58096908
C -5.25504682 4.39830507 -0.18432168
H -4.06166935 3.25937698 1.17975585
C -6.16382313 3.19382326 -2.04725563
H -5.69695544 1.11153436 -2.13761940
C -6.00867282 4.37886699 -1.34649214
H -5.11964482 5.32278091 0.35792371
H -6.73995886 3.17639478 -2.96094666
H -6.46718360 5.28653927 -1.71064682
C -5.55265195 -0.45651192 0.76099423
C -5.43732890 -1.83621017 0.90827326
C -6.75852795 0.16762647 1.06206120
C -6.51406970 -2.57870340 1.35398798
H -4.50644578 -2.32183101 0.65300546
C -7.83372849 -0.58143263 1.50726430
H -6.86052568 1.23768569 0.93781978
C -7.71345307 -1.95297534 1.65572006
H -6.41986166 -3.64933556 1.46161393
H -8.76943563 -0.09225547 1.73579307
H -8.55562308 -2.53448510 2.00069681
C 3.15061112 3.73550114 0.84908348
C 2.52086968 4.15267983 2.01951175
C 4.32604980 4.34966294 0.43739053
C 3.06374292 5.17681713 2.76959367
H 1.60506114 3.66210605 2.32315935
C 4.86529783 5.37688556 1.19374162
H 4.81801825 4.02747502 -0.47034973
C 4.23805863 5.78962991 2.35689210
H 2.57562679 5.49986542 3.67708653
H 5.77953793 5.85489032 0.87290818
H 4.66449942 6.58987657 2.94348416
C 3.42828220 2.12865892 -1.48320151
C 4.46520208 1.20637613 -1.44396217
C 3.25615205 2.93632064 -2.60269222
C 5.32455066 1.08884623 -2.52154974
H 4.58895902 0.58881043 -0.56650190
C 4.12239033 2.81910348 -3.67298265
H 2.43689521 3.64071366 -2.63203018
C 5.15687311 1.89701555 -3.63346341
H 6.12874830 0.36764895 -2.49407656
H 3.99112211 3.44591740 -4.54306674
H 5.83017074 1.80641434 -4.47319004
C 3.24841632 -2.78004649 0.92435381
C 4.42089521 -2.12607838 0.56822142
C 3.18552332 -3.48907265 2.11910373
C 5.52562373 -2.18479387 1.39840824
H 4.45904621 -1.57831997 -0.36199864
C 4.29568194 -3.55184631 2.94043822
H 2.26447414 -3.97640731 2.40471853
C 5.46617334 -2.90242414 2.58117983
H 6.43569940 -1.67210488 1.12165580
H 4.24864718 -4.10565031 3.86683795
H 6.33077283 -2.95195173 3.22670944
C 2.04988339 -4.30024267 -1.18196149
C 1.04075949 -4.58001494 -2.10068977
C 3.12686128 -5.16574623 -1.04753745
C 1.10923372 -5.72038511 -2.87570761
H 0.20647379 -3.89577648 -2.18700564
C 3.18922145 -6.30848393 -1.82775984
H 3.91055545 -4.94938596 -0.33373722
C 2.18416678 -6.58661795 -2.73844149
H 0.32516015 -5.93919232 -3.58535734
H 4.02515593 -6.98458612 -1.72149588
H 2.23662083 -7.48093929 -3.34156285
130
conf 65  E=-192.86438910 Eh  dE=0.341 kcal/mol  pop=0.71%
Ir -0.39179754 0.08827830 0.01436043
C -1.77421735 0.85529766 1.45665897
C -1.27199938 1.52659434 2.59581250
C -3.17924767 0.94502611 1.38174247
C -2.04725460 2.15232089 3.54815067
H -0.20280718 1.55465106 2.75083649
C -3.99236896 1.58532128 2.32841218
C -3.43057043 2.18606774 3.42757561
H -1.57390320 2.62966858 4.39704835
H -4.04637598 2.68010384 4.16607997
C -1.83219970 -0.38099943 -1.50193661
C -3.22910025 -0.20454868 -1.46689370
C -1.42217799 -0.96810135 -2.72224598
C -4.10113002 -0.46257621 -2.53528700
C -2.25415786 -1.23947879 -3.78754815
H -0.38184703 -1.22558535 -2.85327621
C -3.61284960 -0.95877587 -3.71881834
H -1.84233430 -1.67191800 -4.69078931
H -4.26796070 -1.14385836 -4.55843051
C -0.67019464 -1.89970418 0.60441320
C -1.89222277 -2.29006897 1.18780323
C 0.25162735 -2.95963888 0.53306966
C -2.16772551 -3.55615841 1.65436325
H -2.66620673 -1.53952217 1.30190089
C -0.00610039 -4.26513883 0.97482654
C -1.21981482 -4.56820522 1.54467449
H -3.12816377 -3.76859498 2.10697747
H -1.43127757 -5.56784020 1.89762184
C 1.13225392 -0.31591948 -1.37325833
C 2.05540913 -1.37985405 -1.33199110
C 1.33206426 0.52340978 -2.49669840
C 3.07776870 -1.58211745 -2.27042866
C 2.30702435 0.32447914 -3.45070492
H 0.64103739 1.33971430 -2.65990982
C 3.21419835 -0.72201718 -3.33350736
H 2.36725884 0.98660067 -4.30476080
H 3.98876175 -0.87250485 -4.07223269
C -0.33377110 2.11351803 -0.52488052
C -1.49130593 2.75619500 -1.00939601
C 0.76677356 2.98502004 -0.42751447
C -1.55430090 4.08716884 -1.35900472
H -2.39274692 2.16460551 -1.13190750
C 0.72927524 4.34626318 -0.76081547
C -0.43590445 4.90404636 -1.23082282
H -2.47941414 4.50544893 -1.73636961
H -0.48004764 5.95190931 -1.49283756
C 1.16140670 0.22380522 1.41642121
C 2.30774668 1.03705240 1.30694969
C 1.20031992 -0.60808255 2.56069574
C 3.40162997 0.99048374 2.18242919
C 2.24866692 -0.64568896 3.45486913
H 0.33671153 -1.22082725 2.78274483
C 3.38401736 0.13173150 3.25506598
H 2.18979626 -1.28440238 4.32688100
H 4.21773008 0.08561128 3.94155516
H -5.06604021 1.62988622 2.18233491
H -5.16236623 -0.26984823 -2.42535694
H 0.74694865 -5.03774745 0.85835696
H 3.74204221 -2.43516465 -2.17382632
H 1.61376927 4.96254435 -0.63753486
H 4.25062402 1.64857040 2.02692656
P -4.11395623 0.23599112 0.02608860
P 2.35710206 2.39801745 0.14338238
P 1.88440258 -2.71525878 -0.15078853
C -5.43193471 1.41925887 -0.39558496
C -5.13572045 2.77946233 -0.39836435
C -6.70163716 0.99248019 -0.77270089
C -6.09785205 3.69780906 -0.77455432
H -4.15401089 3.11032017 -0.09033489
C -7.66016526 1.91646205 -1.14921404
H -6.94515014 -0.06177160 -0.76208971
C -7.36005815 3.26847293 -1.15326175
H -5.86412613 4.75237052 -0.77100105
H -8.64463991 1.57897009 -1.43948111
H -8.11087055 3.98680830 -1.44766472
C -5.04492642 -1.25538032 0.52593654
C -4.80737011 -2.47243682 -0.10539819
C -5.97937563 -1.18830420 1.55520102
C -5.50733225 -3.60126189 0.27878203
H -4.06730497 -2.53192454 -0.88991463
C -6.67450724 -2.32108101 1.93706917
H -6.16732585 -0.24940293 2.05573396
C -6.44267395 -3.52852587 1.29790555
H -5.31686260 -4.54199061 -0.21666259
H -7.39995355 -2.26185969 2.73537027
H -6.98819682 -4.41152074 1.59706166
C 3.05927402 3.77583926 1.10183833
C 2.31069105 4.20199537 2.19661322
C 4.27594951 4.38142092 0.81666736
C 2.77623665 5.22669924 2.99631459
H 1.36362862 3.71997535 2.40210476
C 4.73737755 5.40922049 1.62217407
H 4.86054899 4.05283561 -0.03198038
C 3.99158236 5.83121408 2.70947919
H 2.19528643 5.55715024 3.84456399
H 5.68357232 5.88059651 1.39884517
H 4.35713465 6.63232292 3.33477355
C 3.56497023 2.18179032 -1.19727402
C 4.59570692 1.26198236 -1.05939767
C 3.50389819 2.99600655 -2.32336184
C 5.55878343 1.15248093 -2.04627722
H 4.63257328 0.64031465 -0.17686615
C 4.47365607 2.88742437 -3.30199612
H 2.68988144 3.69864568 -2.43158030
C 5.50106764 1.96691725 -3.16480588
H 6.35836336 0.43299004 -1.94270716
H 4.42826993 3.51938756 -4.17709387
H 6.25523273 1.88255471 -3.93344237
C 3.18991388 -2.71385220 1.11377776
C 4.39425748 -2.07066079 0.85779444
C 3.01360671 -3.40698800 2.30625730
C 5.41798846 -2.12418935 1.78618610
H 4.52097558 -1.53656485 -0.07257980
C 4.04394534 -3.46524458 3.22616949
H 2.06719203 -3.88610161 2.51160332
C 5.24609455 -2.82625800 2.96746763
H 6.35287124 -1.61989520 1.58773336
H 3.90906404 -4.00723938 4.15087168
H 6.04786249 -2.87149875 3.68981207
C 2.20556125 -4.22802062 -1.10587391
C 3.25840915 -5.09939399 -0.86242046
C 1.30399762 -4.49312652 -2.13421549
C 3.40471591 -6.23255000 -1.64546702
H 3.95820687 -4.89454129 -0.06325335
C 1.45572381 -5.62388237 -2.91146079
H 0.48790163 -3.80254973 -2.30458385
C 2.50713511 -6.49534550 -2.66633008
H 4.22214167 -6.91292738 -1.45555204
H 0.75586388 -5.83075229 -3.70748416
H 2.62549039 -7.38160633 -3.27203752
130
conf 66  E=-192.86435320 Eh  dE=0.364 kcal/mol  pop=0.69%
Ir 0.11492652 0.42509158 -0.00218287
C -1.52112187 1.57208817 0.63273026
C -1.32243660 2.87017842 1.14616505
C -2.88171159 1.21987044 0.56451136
C -2.33784434 3.71653459 1.53361566
H -0.30279129 3.22257859 1.26009871
C -3.93660339 2.06484726 0.93675811
C -3.66710468 3.32278978 1.42093341
H -2.10630139 4.69790697 1.92955643
H -4.46950651 3.98756618 1.70870851
C -0.97850715 -0.74203326 -1.36099352
C -2.30605342 -1.18412051 -1.19124231
C -0.37928054 -1.28172993 -2.52397933
C -2.94946408 -2.11041614 -2.02373903
C -1.00099547 -2.17165732 -3.37349635
H 0.61310451 -0.94812321 -2.79622652
C -2.28806599 -2.62786957 -3.11135746
H -0.48511146 -2.51975100 -4.25926144
H -2.76788069 -3.34479252 -3.76274034
C -0.39125270 -1.04554383 1.41127478
C -1.15421479 -0.71289837 2.55794236
C -0.06004161 -2.41417965 1.37221843
C -1.52828250 -1.61461446 3.53106006
H -1.41224304 0.32448608 2.72312230
C -0.45466807 -3.35607702 2.33354523
C -1.20296404 -2.96095809 3.41629668
H -2.07768776 -1.27232675 4.39844729
H -1.50479932 -3.67299952 4.17137456
C 1.84633251 -0.52144946 -0.69272129
C 2.18535738 -1.88366469 -0.60804214
C 2.82882246 0.23571085 -1.36135495
C 3.37432464 -2.43597335 -1.10539058
C 3.99229718 -0.28055261 -1.88662178
H 2.64723818 1.29581410 -1.49807831
C 4.28415732 -1.63399293 -1.75249931
H 4.68653369 0.36827580 -2.40552396
H 5.20169207 -2.04592921 -2.14867597
C 0.20535957 2.02570215 -1.42225673
C -0.73424789 2.04784124 -2.47937883
C 0.93077558 3.23348810 -1.34886183
C -0.92659292 3.10683345 -3.34021385
H -1.35243863 1.17539638 -2.63954905
C 0.74312802 4.33409130 -2.19820297
C -0.19044260 4.27697976 -3.20344882
H -1.66755603 3.03284317 -4.12656421
H -0.34929724 5.11950803 -3.86206215
C 1.45515917 1.28386150 1.43582737
C 2.20383320 2.47280216 1.33305259
C 1.74289791 0.60122019 2.64142010
C 3.06042384 2.97366859 2.32575224
C 2.58541119 1.06209697 3.63045404
H 1.27241727 -0.35271381 2.82553483
C 3.24473502 2.27698131 3.49453170
H 2.73043763 0.47190466 4.52667125
H 3.89092147 2.65622819 4.27375003
H -4.96426936 1.73311332 0.83093496
H -3.97524990 -2.40164990 -1.82071045
H -0.14370611 -4.39164861 2.23771757
H 3.58132674 -3.49278772 -0.97094385
H 1.31729839 5.24235754 -2.04667165
H 3.57674396 3.91467431 2.16926500
P -3.38363186 -0.40398607 0.00656023
P 2.23465309 3.47919711 -0.14696451
P 1.08137250 -3.06333601 0.15508686
C -4.94210374 -0.14773308 -0.89487189
C -4.88218236 0.72054792 -1.98253076
C -6.13667890 -0.78128297 -0.57864713
C -6.01026924 0.95466917 -2.74341783
H -3.94295567 1.20678270 -2.21243169
C -7.26481620 -0.54215033 -1.34556644
H -6.18595059 -1.45739820 0.26428509
C -7.20344995 0.32244312 -2.42513037
H -5.96383316 1.62896110 -3.58569539
H -8.19439157 -1.03418785 -1.09832817
H -8.08629333 0.50445334 -3.02000466
C -3.86906975 -1.50510087 1.36821343
C -3.70673482 -2.87814067 1.24157197
C -4.47035857 -0.97677078 2.50600151
C -4.14054486 -3.71960632 2.25004253
H -3.23955173 -3.27388481 0.35176058
C -4.90717863 -1.82325891 3.50721434
H -4.57867071 0.09403724 2.60505352
C -4.74403027 -3.19407226 3.38023841
H -4.01021298 -4.78807716 2.15468017
H -5.37420213 -1.41492417 4.39174279
H -5.08399500 -3.85234542 4.16622229
C 2.20853865 5.22596125 0.36677343
C 0.98507681 5.81742489 0.66788646
C 3.38293511 5.95210024 0.53812172
C 0.93973785 7.11642714 1.13778334
H 0.07380914 5.25650883 0.51727933
C 3.33136960 7.25202733 1.00927446
H 4.33772007 5.50318749 0.29811471
C 2.11225561 7.83440825 1.31335450
H -0.01218002 7.57146034 1.36902375
H 4.24685666 7.81032099 1.14125252
H 2.07630784 8.84799835 1.68439918
C 3.89139151 3.31547358 -0.90282586
C 4.87924733 2.54386210 -0.30024076
C 4.16364038 3.96740244 -2.10189513
C 6.13063951 2.44581061 -0.88102243
H 4.66059488 2.01276192 0.61466026
C 5.41556815 3.86256272 -2.67952821
H 3.39270896 4.55022136 -2.58503926
C 6.40294838 3.10695821 -2.06749504
H 6.89353738 1.84484707 -0.40806580
H 5.62184883 4.37071328 -3.61026630
H 7.38067056 3.02737296 -2.51972699
C 2.17539900 -4.17487218 1.08678117
C 2.96837911 -3.56204275 2.05443789
C 2.25378905 -5.54638411 0.88868994
C 3.83577947 -4.31874850 2.81642676
H 2.89355493 -2.49059957 2.18991498
C 3.12623298 -6.29978450 1.65680018
H 1.63811823 -6.02147360 0.13646237
C 3.91510878 -5.68944754 2.61714123
H 4.45247087 -3.84394365 3.56509986
H 3.19022594 -7.36717447 1.50327638
H 4.59448048 -6.28223618 3.21158596
C 0.26198844 -4.14196261 -1.05729680
C -0.95831024 -4.72827181 -0.74511314
C 0.87321300 -4.42109404 -2.27483199
C -1.56037467 -5.59233554 -1.64157692
H -1.42615610 -4.50530379 0.20268782
C 0.27154119 -5.29354874 -3.16255327
H 1.80998967 -3.94432531 -2.52502123
C -0.94365804 -5.88048700 -2.84757739
H -2.51147491 -6.04418745 -1.39884032
H 0.74864156 -5.51398935 -4.10637334
H -1.41243168 -6.55890594 -3.54519296
130
conf 67  E=-192.86434677 Eh  dE=0.368 kcal/mol  pop=0.68%
Ir 0.17690500 -0.31731383 0.08703974
C -0.90084106 0.86704905 1.44360178
C -0.30779791 1.35050411 2.63508956
C -2.20217788 1.37600916 1.25241232
C -0.91826753 2.22868720 3.50495928
H 0.66629723 0.97241336 2.91605214
C -2.82729414 2.30094512 2.10084997
C -2.17989570 2.74376947 3.22892681
H -0.41352724 2.52134049 4.41670960
H -2.65080825 3.45109595 3.89695587
C -1.50252886 -1.35083813 -0.59464416
C -2.84730047 -0.93641837 -0.57755525
C -1.34582736 -2.64935039 -1.11412147
C -3.92202772 -1.72799605 -1.00520354
C -2.37682745 -3.44795495 -1.55439312
H -0.33692575 -3.04346759 -1.18768834
C -3.69008527 -2.99194035 -1.49445025
H -2.16916085 -4.43566348 -1.94641253
H -4.50887696 -3.61490984 -1.82595025
C 0.27906977 -1.92792265 1.49866044
C -0.43153309 -1.85126423 2.71787893
C 0.97900032 -3.14678168 1.38738930
C -0.38689531 -2.80096570 3.71734855
H -1.05444325 -0.98793238 2.90124514
C 1.06586118 -4.11824746 2.39586293
C 0.39246134 -3.94228101 3.58056091
H -0.95597624 -2.64955217 4.62595157
H 0.45982732 -4.67491113 4.37276613
C 1.55238781 -1.14830309 -1.33739945
C 2.21501030 -2.39178549 -1.31268669
C 2.06359737 -0.31302970 -2.35945548
C 3.24447817 -2.77112895 -2.18916805
C 3.05768506 -0.66500132 -3.24599172
H 1.65275240 0.67926042 -2.47472788
C 3.66695351 -1.91104414 -3.17188368
H 3.37553562 0.04105837 -4.00322852
H 4.45678956 -2.19126495 -3.85479897
C -0.22350490 1.21449874 -1.28582424
C -0.92590590 0.94692113 -2.48500691
C 0.14181273 2.57078766 -1.16848236
C -1.21915796 1.89781055 -3.43915847
H -1.20381333 -0.07569805 -2.70308835
C -0.17660357 3.56141777 -2.10786842
C -0.87055881 3.22932747 -3.24703872
H -1.72384172 1.60719950 -4.35150100
H -1.11225376 3.97984558 -3.98640748
C 1.95702286 0.51757291 0.82673226
C 2.31713103 1.87672509 0.83934613
C 2.94538122 -0.30592773 1.40517590
C 3.51623904 2.37443509 1.36982483
C 4.12401817 0.15467766 1.94922009
H 2.76334479 -1.37353151 1.44414501
C 4.42396998 1.51266906 1.93725363
H 4.82524707 -0.54229155 2.39168117
H 5.34908654 1.88158129 2.35751613
H -3.83183970 2.64747233 1.87935888
H -4.93667155 -1.34923118 -0.93914016
H 1.67579043 -5.00298792 2.24326813
H 3.72674662 -3.73668795 -2.07599815
H 0.15002062 4.58449731 -1.95056606
H 3.73404549 3.43639487 1.32257620
P -3.28352775 0.69788010 -0.00362140
P 1.25490270 3.12467612 0.12242925
P 1.81523150 -3.65680319 -0.11296890
C -3.66190120 1.84242228 -1.36324131
C -3.48242207 3.20859066 -1.19318858
C -4.20550673 1.35306087 -2.54649555
C -3.84174571 4.08228163 -2.20363416
H -3.06308246 3.57368850 -0.26709899
C -4.56971252 2.23167476 -3.54909523
H -4.32684538 0.28719764 -2.67826656
C -4.38934982 3.59560440 -3.37884718
H -3.69748431 5.14534397 -2.07446617
H -4.99352168 1.85367819 -4.46821311
H -4.67270123 4.27876022 -4.16603615
C -4.88655680 0.50916874 0.83390678
C -4.90713996 -0.36229871 1.92046830
C -6.04042261 1.19026174 0.46907299
C -6.07426852 -0.55041681 2.63371657
H -3.99787462 -0.88481600 2.18852956
C -7.20801187 0.99729220 1.18849051
H -6.02690210 1.86831082 -0.37358035
C -7.22632237 0.13085879 2.26820720
H -6.09043808 -1.22650434 3.47567740
H -8.10558161 1.52743295 0.90454666
H -8.13933398 -0.01421348 2.82653284
C 0.44098461 4.18728171 1.35268089
C -0.74446217 4.83297308 1.02593214
C 1.03822141 4.41687785 2.58740319
C -1.32738840 5.70658098 1.92609603
H -1.19873576 4.64914270 0.06327860
C 0.45609215 5.29820542 3.47924994
H 1.94819796 3.89531786 2.84693561
C -0.72474455 5.94480474 3.14985102
H -2.25143997 6.20569902 1.67171467
H 0.92173359 5.48039954 4.43689569
H -1.17730611 6.63166551 3.84992887
C 2.40555226 4.25728874 -0.71559666
C 3.22209559 3.68258675 -1.68693550
C 2.50569714 5.61427840 -0.43944054
C 4.13137443 4.46129091 -2.37463766
H 3.13542222 2.62186393 -1.88384104
C 3.42096445 6.38974115 -1.13177877
H 1.87407970 6.06250322 0.31582329
C 4.23176101 5.81672262 -2.09665380
H 4.76565720 4.01479597 -3.12602868
H 3.50132500 7.44500856 -0.91455281
H 4.94461708 6.42621360 -2.63211802
C 3.39546441 -4.43904907 0.34742043
C 4.48529157 -3.61610775 0.61881509
C 3.53460150 -5.81909683 0.44577013
C 5.69767610 -4.16918538 0.98370669
H 4.37851141 -2.54503376 0.52213667
C 4.75177378 -6.36734742 0.81129620
H 2.69449194 -6.46516602 0.22757721
C 5.83310909 -5.54538389 1.08079112
H 6.54170042 -3.52660869 1.18723334
H 4.85635212 -7.44031390 0.88182560
H 6.78254348 -5.97722060 1.36094215
C 0.89343724 -5.04557003 -0.86932629
C -0.08301110 -5.73119689 -0.15383750
C 1.17108532 -5.41772191 -2.18126637
C -0.74876616 -6.79489344 -0.73585633
H -0.32935812 -5.42165263 0.85149382
C 0.49873585 -6.47902312 -2.75886379
H 1.90131738 -4.86549440 -2.75447597
C -0.45555949 -7.17560470 -2.03515103
H -1.50422233 -7.32472160 -0.17406266
H 0.71806714 -6.76169370 -3.77817164
H -0.97783862 -8.00595128 -2.48729390
130
conf 68  E=-192.86432588 Eh  dE=0.381 kcal/mol  pop=0.67%
Ir -0.38578737 0.14103387 0.00531706
C -1.75589226 1.03592588 1.38562206
C -1.23946061 1.78949306 2.46543161
C -3.15527006 1.17662493 1.27847630
C -1.99656638 2.55761062 3.32353517
H -0.17422857 1.76838321 2.64803945
C -3.94826241 1.96595195 2.12451946
C -3.37181467 2.66167321 3.15837393
H -1.51462226 3.09562287 4.13035352
H -3.97070258 3.27611044 3.81611506
C -1.83598550 -0.42321098 -1.47135703
C -3.23551699 -0.27014935 -1.42674377
C -1.43236376 -1.08760593 -2.65362839
C -4.11922909 -0.63414290 -2.45441728
C -2.27569604 -1.46365280 -3.67730674
H -0.38759994 -1.32321053 -2.78908182
C -3.64045779 -1.21671608 -3.60196811
H -1.86799629 -1.95321861 -4.55288551
H -4.30621193 -1.48813069 -4.40922702
C -0.68942546 -1.80025340 0.71965959
C -1.90895654 -2.12634235 1.34609549
C 0.20714078 -2.88335548 0.69624967
C -2.20636083 -3.35688082 1.88770350
H -2.66013823 -1.34940016 1.43232765
C -0.07342461 -4.15508498 1.21573198
C -1.28458418 -4.39642518 1.81946147
H -3.16285821 -3.51961275 2.36839573
H -1.51351456 -5.36944605 2.23089777
C 1.12826373 -0.36380696 -1.36078686
C 2.02266921 -1.44899033 -1.27541548
C 1.34360456 0.41749301 -2.52282962
C 3.02943854 -1.72511805 -2.21194768
C 2.30518092 0.14762628 -3.47286311
H 0.67424092 1.24415758 -2.72002343
C 3.18151222 -0.91952766 -3.31485042
H 2.37817263 0.76901720 -4.35596981
H 3.94376247 -1.12761227 -4.05237172
C -0.30309391 2.12945643 -0.65468799
C -1.45033986 2.75063480 -1.18959590
C 0.79928848 3.00092300 -0.58239789
C -1.50500099 4.06620304 -1.59421991
H -2.34756093 2.15166949 -1.30667552
C 0.76947526 4.34752819 -0.97135183
C -0.38858420 4.88780774 -1.47765168
H -2.42156115 4.47045576 -2.00650292
H -0.42850525 5.92526055 -1.77876806
C 1.17339488 0.33501539 1.39533508
C 2.33338652 1.11872716 1.23033780
C 1.21446899 -0.44009860 2.57880044
C 3.44300232 1.08838570 2.08642748
C 2.27968954 -0.46115904 3.45346585
H 0.34152940 -1.02054160 2.84624348
C 3.42898579 0.27804265 3.19602388
H 2.22384497 -1.05724867 4.35535525
H 4.27592756 0.24172629 3.86672118
H -5.01559154 2.04962279 1.94872286
H -5.18274305 -0.45435016 -2.34161823
H 0.65970256 -4.95080026 1.13264002
H 3.66862339 -2.59271762 -2.08155934
H 1.65376124 4.96661014 -0.86124849
H 4.30192264 1.72058320 1.88439615
P -4.10196267 0.31154552 0.02771193
P 2.38656613 2.42624689 0.00839764
P 1.83340429 -2.71780379 -0.02564701
C -5.44947659 1.40992833 -0.51290413
C -5.16879215 2.75325164 -0.74564129
C -6.72773305 0.92160197 -0.76545346
C -6.15439866 3.59399031 -1.22744597
H -4.18000755 3.13344145 -0.53225583
C -7.70995860 1.76779858 -1.24865335
H -6.95695168 -0.11909234 -0.57767911
C -7.42484484 3.10254418 -1.48343175
H -5.93262555 4.63622630 -1.40412633
H -8.70035770 1.38258470 -1.44352020
H -8.19338463 3.75963333 -1.86278262
C -5.00618032 -1.11627833 0.72553008
C -5.78797848 -0.94659078 1.86428226
C -4.91011082 -2.37427497 0.13990090
C -6.47768528 -2.01942373 2.39854714
H -5.85278235 0.02394403 2.33435837
C -5.60476517 -3.44273287 0.67691084
H -4.28172109 -2.51459452 -0.72736841
C -6.39166702 -3.26785197 1.80346162
H -7.08373525 -1.88180491 3.28216512
H -5.52517010 -4.41690037 0.21715358
H -6.93229605 -4.10423373 2.22185008
C 3.11065587 3.83651960 0.89995860
C 2.37399809 4.31889192 1.97937396
C 4.33348280 4.41288734 0.58247682
C 2.85720083 5.37121049 2.73133969
H 1.42205144 3.85858520 2.21038670
C 4.81245891 5.46863268 1.34008337
H 4.90852876 4.03972727 -0.25424390
C 4.07825517 5.94706673 2.41188503
H 2.28559111 5.74545081 3.56767603
H 5.76327602 5.91764646 1.09179858
H 4.45758826 6.76969067 2.99991640
C 3.57855503 2.12998643 -1.33065719
C 4.57740233 1.17882819 -1.17233739
C 3.53481815 2.90969679 -2.48191861
C 5.52667758 1.00464138 -2.16320022
H 4.59910245 0.58253268 -0.27201303
C 4.49020860 2.73548074 -3.46510050
H 2.74488443 3.63702512 -2.60541350
C 5.48661008 1.78464304 -3.30677905
H 6.30136634 0.26082394 -2.04364241
H 4.45849994 3.34001618 -4.35996777
H 6.22983772 1.64929887 -4.07878031
C 3.16109080 -2.67991900 1.21542868
C 4.37448040 -2.07790906 0.90651036
C 2.98964464 -3.30066620 2.44783709
C 5.41187372 -2.10221858 1.82085009
H 4.49830036 -1.59786234 -0.05329774
C 4.03369310 -3.33089080 3.35368546
H 2.03674612 -3.74600073 2.69480538
C 5.24487101 -2.73424676 3.04169485
H 6.35358514 -1.63014819 1.58014309
H 3.90251550 -3.81748940 4.30922661
H 6.05734924 -2.75790677 3.75302406
C 2.09403753 -4.28516554 -0.90735108
C 1.15878505 -4.57870447 -1.89713165
C 3.13191198 -5.16906966 -0.64620717
C 1.26221509 -5.75110215 -2.61854562
H 0.35506903 -3.87730783 -2.08173024
C 3.22975416 -6.34384365 -1.37353721
H 3.85732268 -4.94125544 0.12345396
C 2.29868374 -6.63527867 -2.35595313
H 0.53608773 -5.98042772 -3.38429995
H 4.03538267 -7.03425836 -1.17009374
H 2.37906089 -7.55397329 -2.91793410
130
conf 69  E=-192.86432257 Eh  dE=0.383 kcal/mol  pop=0.66%
Ir 0.18669380 0.31501548 0.06009158
C -1.35242662 1.47464384 0.89518863
C -1.06227315 2.71045118 1.51015406
C -2.72092939 1.15709172 0.94984637
C -1.99770721 3.51730868 2.11957040
H -0.03184771 3.04605875 1.52516286
C -3.69948334 1.96555605 1.54632530
C -3.33883087 3.14981405 2.14308816
H -1.69047185 4.44555320 2.58557226
H -4.08005365 3.78064944 2.61339728
C -1.03170905 -0.71683369 -1.29960732
C -2.39701611 -1.02859398 -1.14149375
C -0.51338005 -1.17595835 -2.53424946
C -3.16119345 -1.74002772 -2.07704110
C -1.25446609 -1.84591204 -3.48417260
H 0.51217557 -0.93830515 -2.78376433
C -2.58781726 -2.16225962 -3.25283259
H -0.79697208 -2.12700731 -4.42397731
H -3.16781453 -2.70013100 -3.98946532
C -0.30268728 -1.22894803 1.39359166
C -0.95665334 -0.96622732 2.62153075
C -0.15295042 -2.61066067 1.15466554
C -1.41357860 -1.94220112 3.48120151
H -1.06433539 0.06268513 2.93844193
C -0.64433112 -3.62084239 1.99372289
C -1.29263206 -3.28935812 3.15894924
H -1.87036244 -1.66051825 4.42125742
H -1.67234992 -4.05582850 3.81977362
C 1.85617905 -0.65983170 -0.72316036
C 2.11367516 -2.04312549 -0.76036961
C 2.90691545 0.10072060 -1.27080302
C 3.29172579 -2.61269178 -1.26238594
C 4.06824294 -0.42855620 -1.78715085
H 2.78648428 1.17973631 -1.30614911
C 4.27731798 -1.80416644 -1.77777578
H 4.82569200 0.22555192 -2.20056750
H 5.19165216 -2.22857321 -2.16809902
C 0.22684704 1.95823993 -1.32242697
C -0.77238187 2.03392119 -2.32223881
C 1.00296947 3.13389080 -1.28386634
C -0.95518659 3.09541873 -3.18116084
H -1.45091853 1.20287704 -2.44455236
C 0.82149640 4.24222305 -2.12627150
C -0.15350109 4.22591457 -3.09200571
H -1.74076531 3.05351682 -3.92549086
H -0.30048726 5.07192936 -3.74879846
C 1.61383244 1.11184961 1.44303107
C 2.35169916 2.30860757 1.34631309
C 1.94397326 0.39655041 2.61688394
C 3.22937181 2.79375800 2.32748286
C 2.81372367 0.83940796 3.59142065
H 1.48551020 -0.56749829 2.78253988
C 3.45424042 2.06603417 3.47051787
H 2.99431143 0.22769919 4.46635624
H 4.11740422 2.43201886 4.24184593
H -4.74165884 1.66406040 1.52708535
H -4.21265702 -1.93115589 -1.88738196
H -0.49119491 -4.66367311 1.73439952
H 3.43146633 -3.68831859 -1.23412418
H 1.43047144 5.13039340 -1.99679537
H 3.72686387 3.74720460 2.18274816
P -3.35598067 -0.34140469 0.20774148
P 2.32904196 3.36224449 -0.10289208
P 0.89528687 -3.20875329 -0.16830613
C -4.92105812 0.17784885 -0.55888836
C -6.15927780 -0.37481895 -0.26125964
C -4.82298276 1.20389646 -1.49605352
C -7.29348986 0.10143448 -0.89787582
H -6.23730090 -1.17077679 0.46724786
C -5.95718436 1.67367190 -2.12748346
H -3.84971466 1.62634418 -1.71030201
C -7.19450882 1.12253197 -1.82753832
H -8.25784597 -0.32597658 -0.66434897
H -5.88115929 2.47132864 -2.85148899
H -8.08288201 1.49154670 -2.31841972
C -3.87076210 -1.59245854 1.42209273
C -4.28794312 -1.20955821 2.69211238
C -3.91484827 -2.93068344 1.05273164
C -4.75743192 -2.16182160 3.57749571
H -4.23089510 -0.17066323 2.98339487
C -4.37574958 -3.88042698 1.94642066
H -3.59172060 -3.21686506 0.06253066
C -4.80287594 -3.49635520 3.20640510
H -5.08569606 -1.86459422 4.56286217
H -4.40529596 -4.92167857 1.65897904
H -5.16765932 -4.23782806 3.90197346
C 2.22698744 5.09826065 0.44228803
C 3.36175373 5.88270205 0.61902874
C 0.97119924 5.63566101 0.71258899
C 3.23899278 7.18826912 1.06159075
H 4.34073340 5.47717386 0.39967593
C 0.85504541 6.93926136 1.15574385
H 0.08930399 5.03131765 0.55518716
C 1.98826627 7.71766247 1.33199264
H 4.12331480 7.79489887 1.19247186
H -0.12232911 7.35172826 1.35921303
H 1.89628924 8.73781596 1.67441134
C 3.98083229 3.28532916 -0.88650719
C 4.22037348 3.98671960 -2.06458830
C 5.00168573 2.52652197 -0.32271229
C 5.46882072 3.94455789 -2.65757921
H 3.42913323 4.56098212 -2.52275902
C 6.24985053 2.49223174 -0.91763306
H 4.81230435 1.95538172 0.57448943
C 6.48817188 3.20332610 -2.08228485
H 5.64681954 4.49191372 -3.57179360
H 7.03779174 1.90283213 -0.47187225
H 7.46356535 3.17452312 -2.54534042
C 1.84219939 -4.56944782 0.57997202
C 2.67887444 -4.22236511 1.63824637
C 1.75161459 -5.89441380 0.17390253
C 3.42080400 -5.19370770 2.28051972
H 2.73564787 -3.18459129 1.94055801
C 2.49808633 -6.86417087 0.82224040
H 1.10143659 -6.16787677 -0.64605572
C 3.33054266 -6.51666427 1.87245972
H 4.07023404 -4.92441951 3.10023597
H 2.42762208 -7.89466022 0.50533109
H 3.90986895 -7.27734983 2.37457705
C -0.00535012 -4.03407612 -1.51364230
C -1.29290074 -4.50689452 -1.29950938
C 0.62812213 -4.26408154 -2.73055132
C -1.94720638 -5.20269163 -2.30015050
H -1.76906282 -4.32499114 -0.34723122
C -0.02780382 -4.96694098 -3.72323693
H 1.62464275 -3.87941529 -2.89526218
C -1.31436548 -5.43697594 -3.50940570
H -2.95166799 -5.56604744 -2.13682693
H 0.46275278 -5.14792629 -4.66866137
H -1.82493908 -5.98307517 -4.28897745
130
conf 70  E=-192.86430607 Eh  dE=0.393 kcal/mol  pop=0.65%
Ir 0.28920317 0.30395809 -0.03606863
C -1.20464787 1.51508964 0.78512130
C -0.85539762 2.75365126 1.35935947
C -2.58090025 1.24549860 0.88931211
C -1.74373350 3.61345426 1.96592117
H 0.18982365 3.04165054 1.34996930
C -3.51576160 2.11143898 1.47396391
C -3.09831186 3.30192000 2.02020309
H -1.38905322 4.53849380 2.40281794
H -3.80526987 3.97675432 2.48205271
C -0.99280993 -0.83801607 -1.25018066
C -2.35993008 -1.10015952 -1.03448422
C -0.51240684 -1.44821345 -2.43535222
C -3.16116785 -1.88940400 -1.87243437
C -1.28658088 -2.20478987 -3.28881613
H 0.51114010 -1.26381850 -2.73282738
C -2.62324138 -2.45622327 -3.00284395
H -0.85298821 -2.60441150 -4.19641236
H -3.23073967 -3.05712530 -3.66476122
C -0.14024398 -1.10144215 1.46110583
C -0.72324982 -0.71849699 2.69241568
C -0.01283151 -2.50006714 1.34339030
C -1.15963549 -1.60698774 3.65156030
H -0.79517111 0.33568487 2.92422958
C -0.47782333 -3.42417744 2.28933704
C -1.07669218 -2.97926980 3.44317875
H -1.56939209 -1.23565946 4.58217461
H -1.44284531 -3.67753451 4.18267027
C 1.92857711 -0.73971493 -0.81920511
C 2.18463568 -2.11905493 -0.71045210
C 2.95620563 -0.04854406 -1.49334653
C 3.34179714 -2.74804460 -1.19081819
C 4.09634055 -0.64193353 -1.98865817
H 2.83651436 1.01868709 -1.64728757
C 4.30715114 -2.00775468 -1.83078205
H 4.83891939 -0.04602675 -2.50536607
H 5.20657501 -2.47747635 -2.20359539
C 0.33130916 1.80376323 -1.56970817
C -0.54706096 1.72153746 -2.67612185
C 1.09917272 2.98389582 -1.61689053
C -0.60470340 2.63076563 -3.71079423
H -1.22974906 0.88774185 -2.73922690
C 1.07077879 3.92283248 -2.65979265
C 0.22655947 3.74338230 -3.72771251
H -1.30341729 2.47263259 -4.52283503
H 0.20177437 4.45132905 -4.54431723
C 1.86167193 1.12288203 1.16407112
C 2.63125461 2.28443713 0.94437880
C 2.40350326 0.32982367 2.20254095
C 3.79647571 2.61914802 1.65015699
C 3.53535061 0.64251824 2.92392212
H 1.90227020 -0.59159877 2.46450869
C 4.25672198 1.79750519 2.64927013
H 3.87456803 -0.02385878 3.70729304
H 5.15583900 2.04057679 3.19821045
H -4.56818385 1.84710690 1.48756449
H -4.21338264 -2.02746638 -1.64406733
H -0.34551066 -4.48809003 2.12000789
H 3.48263164 -3.81428634 -1.04691443
H 1.71796946 4.79243938 -2.62161232
H 4.35144177 3.51477198 1.39092313
P -3.27000409 -0.28398729 0.27357077
P 2.16722808 3.50724077 -0.27873330
P 0.99448404 -3.21792053 0.04884650
C -4.84860381 0.20287960 -0.48240456
C -4.75446257 1.12119504 -1.52578573
C -6.09035853 -0.26778045 -0.07868700
C -5.89779624 1.56601079 -2.15859084
H -3.77591870 1.47761207 -1.82160931
C -7.23375918 0.18341223 -0.71739511
H -6.16260705 -0.98038573 0.73220077
C -7.13923167 1.09741760 -1.75304923
H -5.82627845 2.27940591 -2.96616148
H -8.20151834 -0.17938097 -0.40292560
H -8.03449997 1.44733929 -2.24541244
C -3.74188859 -1.42882496 1.60425493
C -3.81529747 -2.79161173 1.34427569
C -4.08265108 -0.94424935 2.86212508
C -4.23363727 -3.66333412 2.33302400
H -3.54726050 -3.15906789 0.36433772
C -4.51142819 -1.81926402 3.84296633
H -3.99950149 0.11286047 3.06823396
C -4.58962298 -3.17752026 3.57984242
H -4.28578107 -4.72338757 2.13031303
H -4.78217898 -1.44263180 4.81860238
H -4.92230941 -3.85832982 4.34959314
C 1.41303832 4.98585187 0.48759017
C 2.04248178 5.59345847 1.56997669
C 0.21465814 5.50512457 0.00935959
C 1.48761408 6.71758749 2.15339554
H 2.96341592 5.18245658 1.95776832
C -0.33358050 6.63176023 0.59482698
H -0.29045202 5.01770720 -0.81170057
C 0.30215018 7.24215930 1.66356852
H 1.98047009 7.18589632 2.99293130
H -1.26456596 7.03001494 0.21869622
H -0.12887189 8.12125177 2.11981846
C 3.69386274 4.17724689 -1.01105746
C 3.83705488 5.53477384 -1.28076188
C 4.70544022 3.29395063 -1.37710817
C 4.97703377 5.99961736 -1.91221759
H 3.05967492 6.22962298 -0.99151483
C 5.84185331 3.76403497 -2.00807009
H 4.59920779 2.24264128 -1.15073264
C 5.97809360 5.11623254 -2.28036733
H 5.08231191 7.05479426 -2.11906278
H 6.62459518 3.07490872 -2.28941342
H 6.86482456 5.48201323 -2.77668504
C 1.97828904 -4.48493885 0.90587725
C 1.85977752 -5.84881738 0.67300709
C 2.86600816 -4.01942229 1.87313163
C 2.62930908 -6.73968958 1.40241590
H 1.16993549 -6.21342776 -0.07610769
C 3.63042914 -4.91262696 2.59719714
H 2.94646500 -2.95307113 2.03973584
C 3.51193155 -6.27476873 2.36237309
H 2.53734728 -7.80063729 1.22014198
H 4.31942689 -4.55149538 3.34625647
H 4.10856117 -6.97428729 2.92903899
C 0.04411550 -4.18284408 -1.16305630
C 0.63582585 -4.56416899 -2.36290392
C -1.24437536 -4.60112592 -0.85922946
C -0.06262567 -5.36192564 -3.24913361
H 1.63335126 -4.22181606 -2.59940396
C -1.94065857 -5.39408321 -1.75360870
H -1.68979674 -4.29943313 0.07738259
C -1.34986790 -5.77795695 -2.94575584
H 0.39492621 -5.65966337 -4.18148264
H -2.94548859 -5.71602413 -1.52024220
H -1.89351948 -6.39882112 -3.64263711
130
conf 71  E=-192.86429907 Eh  dE=0.398 kcal/mol  pop=0.65%
Ir 0.16337707 -0.33279680 -0.02563470
C -0.85084586 0.84479936 1.38175136
C -0.22653073 1.24695125 2.58665713
C -2.16609100 1.33921327 1.26752347
C -0.83038913 2.02878982 3.54822333
H 0.76553022 0.87293436 2.80295870
C -2.78619213 2.16793867 2.21317828
C -2.11440191 2.52560768 3.35770392
H -0.30310415 2.25797485 4.46527366
H -2.58418453 3.15321861 4.10186061
C -1.54956968 -1.31815690 -0.72742876
C -2.86822078 -0.82892141 -0.73601882
C -1.45177324 -2.61136439 -1.28097850
C -3.97035799 -1.53111292 -1.24469280
C -2.51262991 -3.32113563 -1.79866011
H -0.47544642 -3.08232916 -1.31911946
C -3.79453707 -2.78148448 -1.78767049
H -2.35029649 -4.30679128 -2.21703837
H -4.63333937 -3.33274568 -2.18903157
C 0.18184776 -1.93989663 1.38661962
C -0.68302931 -1.88809706 2.50554738
C 0.90079170 -3.15015093 1.35158509
C -0.75562274 -2.84556615 3.49372649
H -1.34011654 -1.03801065 2.61577331
C 0.84524226 -4.14437441 2.33951068
C 0.03170797 -3.98837261 3.43363016
H -1.43610749 -2.70774347 4.32460251
H -0.01069801 -4.74122092 4.20810888
C 1.38132188 -1.28128156 -1.50583801
C 1.94445398 -2.57215216 -1.48341554
C 1.72543010 -0.59190384 -2.69193406
C 2.65762131 -3.15666246 -2.54038166
C 2.42981951 -1.13633932 -3.74476783
H 1.41414755 0.43639832 -2.80330667
C 2.88454836 -2.44808185 -3.69412059
H 2.62687987 -0.53655612 -4.62437281
H 3.41610321 -2.89089422 -4.52467771
C -0.23205445 1.25025281 -1.34390230
C -0.96698303 1.05171189 -2.53764457
C 0.09980010 2.60562040 -1.13998611
C -1.32442188 2.06183713 -3.40512458
H -1.21867004 0.03921313 -2.82490239
C -0.29019274 3.65460379 -1.98460565
C -1.01641271 3.38722531 -3.12014348
H -1.84846642 1.82403303 -4.32189238
H -1.31544373 4.18382939 -3.78673051
C 1.98154990 0.45012781 0.65030282
C 2.37359071 1.80115873 0.68700700
C 2.98198530 -0.41414466 1.13726568
C 3.62138996 2.25052528 1.14115575
C 4.21024981 -0.00305677 1.60538867
H 2.77060885 -1.47873589 1.16271947
C 4.54731664 1.34650470 1.60552816
H 4.92115191 -0.73292855 1.97242377
H 5.51325236 1.67755281 1.96033832
H -3.80665885 2.50282586 2.05637780
H -4.96276589 -1.09479299 -1.19969897
H 1.43164875 -5.04882146 2.23168943
H 3.03110653 -4.16971122 -2.44413052
H 0.00470266 4.67399630 -1.75669335
H 3.86135100 3.30840916 1.11608841
P -3.26574021 0.76373861 -0.02563100
P 1.26749797 3.08992610 0.12972954
P 1.92695352 -3.63260809 -0.03813540
C -3.67744508 2.04033212 -1.25273867
C -3.53772245 3.38217556 -0.92378776
C -4.21194916 1.67945434 -2.48482368
C -3.93232368 4.35856095 -1.82081774
H -3.12513693 3.65065488 0.03770803
C -4.61289176 2.65942693 -3.37341402
H -4.29858278 0.63412826 -2.74442236
C -4.47537426 3.99841135 -3.04258511
H -3.82014311 5.40254872 -1.56543140
H -5.03126979 2.38029490 -4.32953743
H -4.78846357 4.76135597 -3.74014336
C -4.85295229 0.48373249 0.81912792
C -4.84982928 -0.50335555 1.80201610
C -6.02250826 1.17617692 0.53587457
C -6.00898724 -0.79565896 2.49255998
H -3.92981506 -1.03591914 2.00599284
C -7.18244211 0.87801638 1.23164995
H -6.02860606 1.94269741 -0.22734827
C -7.17760498 -0.10482593 2.20659433
H -6.00641113 -1.56296341 3.25247533
H -8.09314538 1.41487490 1.00880598
H -8.08577195 -0.33457127 2.74400037
C 0.53726753 4.04701011 1.49165292
C -0.67004510 4.70665221 1.30429864
C 1.22849514 4.18813276 2.69032435
C -1.18561254 5.50210965 2.31184600
H -1.19355713 4.59275956 0.36635462
C 0.71216607 4.99054741 3.69018133
H 2.15857704 3.65761928 2.83672253
C -0.49345648 5.64842340 3.50226638
H -2.12741758 6.01207004 2.16814276
H 1.24842818 5.10220813 4.62139877
H -0.89512000 6.27254955 4.28701114
C 2.34108903 4.30807153 -0.69078501
C 3.07667293 3.83655397 -1.77567914
C 2.44316444 5.63952617 -0.31023530
C 3.90766747 4.69140828 -2.47189581
H 2.98512264 2.79501147 -2.05584231
C 3.27842368 6.49230023 -1.01263679
H 1.87373096 6.00887178 0.53195437
C 4.00840637 6.02159868 -2.09065481
H 4.47826982 4.32539729 -3.31253429
H 3.35785843 7.52810519 -0.71584507
H 4.65720435 6.69156095 -2.63521985
C 3.67540572 -3.88185280 0.42818524
C 4.63510893 -2.97572420 -0.01476796
C 4.06455384 -4.94329020 1.24051627
C 5.95895505 -3.12812853 0.35363738
H 4.33966455 -2.15237875 -0.64891955
C 5.38945552 -5.08887537 1.60918255
H 3.33775274 -5.67002164 1.57475067
C 6.33901902 -4.18120447 1.16933911
H 6.69566999 -2.42041758 0.00268821
H 5.68197560 -5.91579576 2.23985079
H 7.37295109 -4.29803272 1.45892103
C 1.37042766 -5.30749527 -0.49513321
C 0.02451955 -5.62890002 -0.33898903
C 2.24207263 -6.25450169 -1.02463561
C -0.44018336 -6.87630813 -0.71106340
H -0.65191848 -4.90111980 0.08583403
C 1.77133966 -7.50184910 -1.39423199
H 3.29434385 -6.02708146 -1.13200263
C 0.43085544 -7.81455518 -1.24100058
H -1.48518777 -7.11801783 -0.58366184
H 2.45506815 -8.23349650 -1.79969432
H 0.06762536 -8.79012772 -1.52872834
130
conf 72  E=-192.86426852 Eh  dE=0.417 kcal/mol  pop=0.63%
Ir -0.36481615 -0.07205778 -0.01422476
C -1.65954049 0.65777357 1.53292101
C -1.11823791 1.24996604 2.69825637
C -3.06772426 0.67377348 1.56207180
C -1.85568841 1.69686657 3.77395030
H -0.04771578 1.36670049 2.77551676
C -3.84658349 1.11234758 2.64373513
C -3.24155020 1.60565962 3.77358616
H -1.34729810 2.11924622 4.63164288
H -3.82626231 1.92919678 4.62321563
C -1.90269989 -0.74154959 -1.34579585
C -3.30229864 -0.69115875 -1.17746091
C -1.54251477 -1.53158587 -2.46223375
C -4.23267525 -1.33889547 -2.00360939
C -2.43487615 -2.16431909 -3.30079899
H -0.49343807 -1.65402453 -2.69223462
C -3.80309284 -2.07949182 -3.07703153
H -2.06708848 -2.74320637 -4.13886896
H -4.50922002 -2.58609175 -3.72015842
C -0.53173905 -2.06574613 0.61682701
C -1.73259514 -2.53507063 1.18736017
C 0.43897299 -3.07697867 0.49453119
C -1.95064545 -3.83721386 1.58011158
H -2.53664301 -1.82307010 1.34267601
C 0.24148251 -4.41285374 0.87134375
C -0.96019116 -4.79973521 1.41501566
H -2.89876503 -4.12063863 2.02078851
H -1.12916134 -5.82655196 1.70771082
C 1.09583243 -0.45743654 -1.47046547
C 2.14217773 -1.39594850 -1.36260312
C 1.19501893 0.32238604 -2.64744230
C 3.20758451 -1.50762959 -2.26677324
C 2.21471643 0.20825530 -3.56800696
H 0.40110356 1.02247275 -2.87120324
C 3.25901341 -0.68792784 -3.36835578
H 2.20450281 0.81974357 -4.46123606
H 4.07277651 -0.76090484 -4.07612777
C -0.42340375 1.90375504 -0.69268071
C -1.61215279 2.40895797 -1.25616198
C 0.61834089 2.84847139 -0.70295893
C -1.75580755 3.67665719 -1.77413575
H -2.47048317 1.74898827 -1.30935112
C 0.49859094 4.15367167 -1.20103981
C -0.69217047 4.57268038 -1.74526843
H -2.70135934 3.98083893 -2.20516337
H -0.79816408 5.57322628 -2.14044441
C 1.25579678 0.19719853 1.29344740
C 2.28965398 1.14772482 1.18114390
C 1.40092141 -0.61960060 2.44167303
C 3.35924525 1.26834389 2.08028018
C 2.42444547 -0.49763575 3.35676339
H 0.62932935 -1.34616308 2.65860301
C 3.43640014 0.43697725 3.17174752
H 2.44048278 -1.13174069 4.23369545
H 4.24694383 0.52719357 3.88106490
H -4.92829277 1.06038768 2.58724395
H -5.29298734 -1.27803790 -1.78178032
H 1.03002290 -5.14329839 0.72309845
H 3.97805260 -2.25565962 -2.10849716
H 1.34078689 4.83594693 -1.14782607
H 4.10939228 2.03850981 1.93078545
P -4.06695878 0.25612264 0.13683809
P 2.23294822 2.44687938 -0.05046830
P 2.06594981 -2.71472337 -0.15387320
C -4.78871691 1.81711308 -0.48460724
C -4.49228427 3.03064941 0.12740754
C -5.62826289 1.79452260 -1.59446455
C -5.04561245 4.20266721 -0.35498115
H -3.81944229 3.05420245 0.97210702
C -6.17598009 2.97007594 -2.07416818
H -5.84848696 0.85752658 -2.08523903
C -5.88976813 4.17534527 -1.45297560
H -4.81053754 5.14149550 0.12481441
H -6.82698800 2.94679826 -2.93602773
H -6.31878590 5.09242703 -1.82946867
C -5.53014405 -0.66280908 0.71008282
C -5.42844098 -2.03850568 0.89642239
C -6.71721745 -0.01186083 1.03128780
C -6.50036003 -2.75085821 1.40029933
H -4.51115426 -2.54373407 0.62977540
C -7.78659458 -0.73026753 1.53610861
H -6.80730597 1.05585191 0.88032782
C -7.67932601 -2.09813032 1.72450272
H -6.41765908 -3.81862628 1.54082713
H -8.70574580 -0.21950599 1.78414172
H -8.51538757 -2.65526304 2.12071888
C 2.74604570 3.95062383 0.83189964
C 3.89303045 4.67694827 0.54217180
C 1.89690685 4.36561919 1.85519536
C 4.18528939 5.81593058 1.27410872
H 4.55191642 4.35498178 -0.25325233
C 2.19404348 5.50174101 2.58106206
H 1.00561262 3.78714062 2.06236494
C 3.33942950 6.22835973 2.28980148
H 5.07630075 6.38373856 1.04866176
H 1.53448253 5.82509958 3.37270179
H 3.57180836 7.11863511 2.85526575
C 3.49461411 2.23911568 -1.34260293
C 3.36989364 2.89803526 -2.56070001
C 4.61876347 1.46382910 -1.08681090
C 4.37335155 2.79177850 -3.50581690
H 2.48308150 3.48009241 -2.76590930
C 5.61447464 1.35288827 -2.04020959
H 4.70669681 0.95620545 -0.13735835
C 5.49588702 2.02145807 -3.24714564
H 4.27903315 3.30761480 -4.45025085
H 6.48622993 0.74610766 -1.84116023
H 6.27660904 1.93863969 -3.98896142
C 3.33657809 -2.60299279 1.14039538
C 4.45795331 -1.80803161 0.94542575
C 3.22025385 -3.37324319 2.29290826
C 5.45702614 -1.77897928 1.90163993
H 4.53555054 -1.21832406 0.04384015
C 4.22527124 -3.34540203 3.24100937
H 2.33702776 -3.97731422 2.44505531
C 5.34367535 -2.54965021 3.04661774
H 6.32760545 -1.15614359 1.75380305
H 4.13709155 -3.94286384 4.13684092
H 6.12533793 -2.52771980 3.79173594
C 2.55666587 -4.19750005 -1.08593887
C 1.72457434 -4.55480211 -2.14449898
C 3.69648839 -4.94392360 -0.81785439
C 2.03134341 -5.65107269 -2.92570196
H 0.83926981 -3.96251644 -2.33662495
C 3.99839777 -6.04303283 -1.60459287
H 4.34499087 -4.66863178 0.00292515
C 3.17018035 -6.39619693 -2.65624069
H 1.38599620 -5.92791332 -3.74614647
H 4.88470721 -6.62422584 -1.39486540
H 3.41170023 -7.25326994 -3.26738233
130
conf 73  E=-192.86426300 Eh  dE=0.420 kcal/mol  pop=0.62%
Ir 0.09863428 -0.42060516 -0.02369480
C -0.89777023 0.71329618 1.43166653
C -0.28271994 1.04751562 2.66171679
C -2.15858676 1.32548980 1.28122188
C -0.82973313 1.90422313 3.59266355
H 0.65439311 0.57076645 2.91653132
C -2.71902847 2.22761308 2.19626965
C -2.04379845 2.53813512 3.35191518
H -0.31229385 2.08654284 4.52586821
H -2.46127512 3.23142292 4.06852332
C -1.63751282 -1.31852247 -0.78265227
C -2.95115229 -0.82028033 -0.70381104
C -1.57419322 -2.58321759 -1.40277072
C -4.08507039 -1.50378810 -1.16499318
C -2.66849890 -3.27170712 -1.87793647
H -0.59849973 -3.04083093 -1.52965932
C -3.94716448 -2.73830450 -1.75343845
H -2.53962876 -4.23670029 -2.35285837
H -4.81178352 -3.27943559 -2.11156261
C 0.00477171 -2.15282370 1.23317944
C -0.93669496 -2.17650929 2.28848518
C 0.60865312 -3.41449892 1.05035703
C -1.22683743 -3.28032334 3.06113047
H -1.47470443 -1.26842481 2.52196309
C 0.32009902 -4.55883438 1.80856095
C -0.60065436 -4.49755877 2.82524860
H -1.95908735 -3.20297114 3.85518320
H -0.83460844 -5.37232076 3.41586926
C 1.36133091 -1.27080564 -1.53756985
C 1.94678072 -2.55162660 -1.57172405
C 1.75150970 -0.50166184 -2.65933915
C 2.73240244 -3.05132066 -2.62181530
C 2.52688131 -0.96071120 -3.70282683
H 1.42388220 0.52457456 -2.72788408
C 3.01017544 -2.26279977 -3.71116159
H 2.75758666 -0.29919638 -4.52846668
H 3.59935511 -2.63875011 -4.53583227
C -0.21623140 1.22848527 -1.28537369
C -0.96366156 1.08939123 -2.48080882
C 0.24761003 2.54549851 -1.09707493
C -1.20401394 2.11468400 -3.37010079
H -1.31949234 0.10528426 -2.75496074
C -0.01120268 3.61170854 -1.97072907
C -0.74855149 3.40206884 -3.11127525
H -1.74881199 1.91737486 -4.28421426
H -0.94444944 4.21068847 -3.80122190
C 1.89958414 0.26846425 0.78289988
C 2.35974632 1.59463755 0.86941010
C 2.79333667 -0.64949917 1.36978557
C 3.57595689 1.97407672 1.45495967
C 3.98216498 -0.30713597 1.97436283
H 2.51734761 -1.69787992 1.37085789
C 4.39269554 1.02137691 2.01621046
H 4.60330016 -1.07411413 2.41977985
H 5.32936124 1.29869480 2.47908343
H -3.69462799 2.66208012 2.00270255
H -5.07086948 -1.06601060 -1.04659109
H 0.80463861 -5.50166152 1.57716850
H 3.12044169 -4.06280729 -2.57273335
H 0.39679031 4.59560636 -1.76169128
H 3.87706573 3.01666198 1.45670496
P -3.28160932 0.79409222 -0.00829645
P 1.39451674 2.95009663 0.21757998
P 1.86800660 -3.69040246 -0.19299435
C -3.60777340 2.05662644 -1.27396516
C -3.32233653 3.39001829 -1.01366492
C -4.21608182 1.69510839 -2.47167208
C -3.63932137 4.35832746 -1.94935437
H -2.85317242 3.65553631 -0.07773669
C -4.53674273 2.66794281 -3.39918452
H -4.42076494 0.65332570 -2.67399018
C -4.24982440 3.99918970 -3.13923596
H -3.41245034 5.39588502 -1.75006475
H -5.00973015 2.38967267 -4.32982441
H -4.49947883 4.75613277 -3.86819228
C -4.88284696 0.64400655 0.84183757
C -4.94812003 -0.30578119 1.85869127
C -5.98961615 1.43401430 0.55977824
C -6.11208886 -0.46326131 2.58448950
H -4.07646364 -0.91382566 2.06336849
C -7.15436824 1.27111710 1.29103279
H -5.94221387 2.17344759 -0.22822780
C -7.21673824 0.32687981 2.30158068
H -6.16208904 -1.19954151 3.37290331
H -8.01505991 1.88604295 1.07095170
H -8.12691998 0.20631743 2.87027506
C 0.63778547 3.97244853 1.51647529
C -0.49260348 4.72606144 1.22648557
C 1.21910702 4.05227265 2.77711960
C -1.03556647 5.55791503 2.18889603
H -0.93650675 4.65818426 0.24394913
C 0.67894860 4.89438459 3.73126184
H 2.08410518 3.44681613 3.00646852
C -0.44664060 5.64807700 3.43896251
H -1.91771593 6.13968848 1.96294408
H 1.13351602 4.96102037 4.70896248
H -0.86763826 6.30226253 4.18828629
C 2.62052292 4.05113387 -0.54873804
C 3.38270855 3.48472941 -1.56794453
C 2.82987903 5.37158979 -0.17513460
C 4.34851434 4.23613114 -2.20700272
H 3.20596034 2.45207427 -1.84067808
C 3.80091217 6.11983784 -0.81997504
H 2.23901961 5.81134826 0.61728291
C 4.55844306 5.55535683 -1.83212907
H 4.94094444 3.79681793 -2.99583349
H 3.96687835 7.14692192 -0.52888736
H 5.31522120 6.14357099 -2.32972111
C 3.54102389 -3.77086820 0.54008514
C 4.58330204 -3.00993386 0.02114142
C 3.77156064 -4.59432554 1.63817370
C 5.84468729 -3.09026511 0.58237437
H 4.39993982 -2.34869945 -0.81309826
C 5.03419204 -4.66814754 2.19682715
H 2.96125746 -5.17320207 2.05733337
C 6.07410428 -3.92100144 1.66683170
H 6.64971073 -2.49670750 0.17439071
H 5.20802239 -5.30969380 3.04845327
H 7.06004650 -3.98144574 2.10382172
C 1.64502637 -5.37140407 -0.85619744
C 2.73292965 -6.19459354 -1.13008491
C 0.35927356 -5.80756430 -1.16273149
C 2.53456646 -7.43685016 -1.70607565
H 3.73505624 -5.86669757 -0.88729952
C 0.16724616 -7.04998743 -1.73721789
H -0.48498914 -5.17283228 -0.93421088
C 1.25386128 -7.86498216 -2.01321781
H 3.38339239 -8.07111609 -1.91688263
H -0.83248278 -7.38528301 -1.97123171
H 1.10299119 -8.83433358 -2.46482024
130
conf 74  E=-192.86425168 Eh  dE=0.427 kcal/mol  pop=0.62%
Ir 0.05619421 -0.40999839 -0.00994341
C -0.84275786 0.84364565 1.41274504
C -0.14055882 1.29008589 2.55760964
C -2.11720792 1.43552706 1.30485345
C -0.62284293 2.22886986 3.44412495
H 0.81692292 0.84043831 2.78413210
C -2.61647709 2.41548203 2.17416972
C -1.85773975 2.83480349 3.24012473
H -0.03733063 2.49831704 4.31384994
H -2.22584228 3.59087523 3.91936943
C -1.72140527 -1.36203231 -0.58206879
C -3.03087179 -0.86593272 -0.44415007
C -1.68907432 -2.66482082 -1.12026640
C -4.18773444 -1.58534770 -0.77451940
C -2.80768583 -3.38993828 -1.46733946
H -0.71981643 -3.12280634 -1.28826896
C -4.07948077 -2.85694919 -1.28534521
H -2.70364441 -4.38378030 -1.88554785
H -4.96190200 -3.42637870 -1.54160178
C 0.03553824 -2.03653720 1.38173493
C -0.84292367 -1.97168522 2.48866183
C 0.60731230 -3.31945995 1.24906621
C -1.11630071 -3.02036570 3.34000364
H -1.34206519 -1.03590213 2.69828592
C 0.33208996 -4.40987644 2.08766556
C -0.53555955 -4.26672736 3.14201358
H -1.80056208 -2.87684744 4.16706186
H -0.76161116 -5.10026832 3.79234759
C 1.23657205 -1.37546571 -1.51835886
C 1.85266776 -2.64120034 -1.47012334
C 1.56248043 -0.69393292 -2.71510134
C 2.62243110 -3.20248012 -2.50085866
C 2.32171200 -1.21441858 -3.74115499
H 1.19425058 0.31035513 -2.86041991
C 2.84951974 -2.49638564 -3.65623975
H 2.50493403 -0.61799921 -4.62623619
H 3.43005226 -2.92011870 -4.46367499
C -0.34875981 1.12816389 -1.38452074
C -1.19156947 0.89563312 -2.49941738
C 0.13898152 2.44933905 -1.35328852
C -1.49861847 1.84290531 -3.45247375
H -1.57449439 -0.10347557 -2.65795866
C -0.18026026 3.43782410 -2.29561055
C -1.01272044 3.14080496 -3.34792320
H -2.12026791 1.57433385 -4.29678345
H -1.25895842 3.88871559 -4.08839794
C 1.90663419 0.33262725 0.61788382
C 2.38350686 1.65327106 0.53967089
C 2.82752568 -0.53547204 1.23825951
C 3.63916166 2.07069974 1.00358866
C 4.05566516 -0.15164962 1.72882323
H 2.54244335 -1.57407894 1.36403947
C 4.48151231 1.16700800 1.60640365
H 4.69652106 -0.87856942 2.21176752
H 5.44923683 1.47454481 1.97713937
H -3.60897439 2.82583062 2.01685133
H -5.16692944 -1.14583743 -0.61563180
H 0.78372401 -5.37629242 1.88929685
H 3.03858816 -4.19709960 -2.38403285
H 0.25418987 4.42893618 -2.21072060
H 3.94913403 3.10324130 0.87890507
P -3.32619580 0.79500258 0.15062611
P 1.38678639 2.95423142 -0.17237008
P 1.81652715 -3.68817136 -0.01869597
C -3.74631417 1.95979819 -1.17925377
C -3.41895019 3.30311674 -1.05231074
C -4.45589154 1.51718332 -2.29082944
C -3.79709907 4.20032938 -2.03467833
H -2.86785319 3.63125619 -0.18323641
C -4.83585611 2.41983077 -3.26593520
H -4.69293712 0.46746910 -2.39113328
C -4.50842108 3.76085180 -3.13869808
H -3.53893426 5.24532155 -1.93961922
H -5.38679082 2.07841941 -4.13033252
H -4.80465725 4.46273435 -3.90437894
C -4.85918904 0.70135469 1.12444990
C -4.84245996 -0.17678349 2.20573554
C -5.98842154 1.46911880 0.87215065
C -5.94834138 -0.28562854 3.02516601
H -3.95409673 -0.76846963 2.38507637
C -7.09467445 1.35510485 1.69757850
H -6.00402293 2.15260609 0.03385188
C -7.07580260 0.48211724 2.77199253
H -5.93540387 -0.96640600 3.86340122
H -7.97332160 1.95224369 1.50081758
H -7.94051358 0.39971475 3.41377627
C 0.72849667 4.09789197 1.07795013
C 1.39165475 4.27717795 2.28671904
C -0.41611703 4.83496640 0.80031189
C 0.91826805 5.20076790 3.20021866
H 2.26709046 3.68459042 2.50961428
C -0.89065652 5.75000805 1.72238587
H -0.92530133 4.68894929 -0.14113200
C -0.22083610 5.93815215 2.91966083
H 1.43576282 5.34381362 4.13762004
H -1.78265014 6.31989746 1.50576041
H -0.58915865 6.65649377 3.63730921
C 2.56162100 3.95746572 -1.12833473
C 2.79603738 5.30839878 -0.91185681
C 3.25058372 3.28069121 -2.13235492
C 3.71969720 5.97723637 -1.69808403
H 2.26114256 5.83290977 -0.13128049
C 4.16966479 3.95336960 -2.91243677
H 3.05482165 2.22641875 -2.28160562
C 4.40499619 5.30326187 -2.69467721
H 3.90505132 7.02821252 -1.53016077
H 4.70580201 3.42906239 -3.68954550
H 5.12526951 5.83004107 -3.30302741
C 3.50940203 -3.74230468 0.66861724
C 4.54502623 -3.02487128 0.07937637
C 3.76059694 -4.50302691 1.80678260
C 5.81934886 -3.08484541 0.61378463
H 4.34637061 -2.41228443 -0.78795489
C 5.03584748 -4.55649601 2.33827265
H 2.95594923 -5.04866154 2.27817091
C 6.06835318 -3.85147694 1.74035866
H 6.61917254 -2.52458389 0.15192630
H 5.22518161 -5.14869772 3.22174839
H 7.06395338 -3.89472493 2.15722568
C 1.55993282 -5.40417080 -0.57100809
C 0.26167831 -5.85046926 -0.80053320
C 2.63351204 -6.24647804 -0.84351390
C 0.04305654 -7.12057953 -1.29997087
H -0.57059863 -5.20068943 -0.57101251
C 2.40858789 -7.51623715 -1.34498942
H 3.64570400 -5.91234386 -0.65738645
C 1.11537581 -7.95365874 -1.57764307
H -0.96632818 -7.46313439 -1.47460114
H 3.24654719 -8.16464929 -1.55626476
H 0.94384294 -8.94427748 -1.97206643
130
conf 75  E=-192.86425006 Eh  dE=0.428 kcal/mol  pop=0.62%
Ir -0.35067481 -0.01417403 -0.01111824
C -1.65634416 0.82470908 1.46102717
C -1.12205231 1.49576180 2.58615652
C -3.06393756 0.80724290 1.49946492
C -1.86303290 1.96760582 3.64857032
H -0.05475019 1.65217103 2.64017641
C -3.84538376 1.26891928 2.56837249
C -3.24495344 1.82719387 3.66966321
H -1.36158678 2.44793763 4.47939318
H -3.83103131 2.16775002 4.51165334
C -1.87134835 -0.67184771 -1.36146801
C -3.26558905 -0.48585275 -1.28611675
C -1.51672543 -1.46639622 -2.47669342
C -4.18840825 -0.94673720 -2.23641204
C -2.39989585 -1.93135043 -3.42719765
H -0.47860986 -1.73187599 -2.61511674
C -3.75852015 -1.65789962 -3.32883921
H -2.03231088 -2.51856494 -4.25927145
H -4.45759867 -2.00871275 -4.07495164
C -0.59314007 -1.94620439 0.76959082
C -1.82706370 -2.33818363 1.32722166
C 0.36234471 -2.97820544 0.80191380
C -2.08282307 -3.58114790 1.86263207
H -2.63320484 -1.61204903 1.35398011
C 0.12858625 -4.25772561 1.32575446
C -1.09817510 -4.56343661 1.86524878
H -3.05692033 -3.79879845 2.28302115
H -1.29264329 -5.54410826 2.27632949
C 1.12414307 -0.56400654 -1.39672273
C 2.11883287 -1.54510832 -1.20565786
C 1.25888421 0.10372651 -2.63735974
C 3.16160946 -1.80383240 -2.10638696
C 2.25077054 -0.16319208 -3.55689470
H 0.50862607 0.83260063 -2.91447620
C 3.23908013 -1.10254777 -3.28569217
H 2.26297885 0.36143784 -4.50365722
H 4.03082652 -1.29791431 -3.99512740
C -0.35155816 1.92011421 -0.81198656
C -1.54061699 2.46152593 -1.34038443
C 0.73707582 2.80358075 -0.92764755
C -1.64222264 3.70358323 -1.92656330
H -2.44080552 1.85763203 -1.30115770
C 0.66328539 4.08016665 -1.50277611
C -0.52964635 4.53368464 -2.01367206
H -2.59400132 4.03914674 -2.31943322
H -0.60099090 5.51259891 -2.46676666
C 1.27006569 0.31352324 1.27981195
C 2.35789978 1.18224735 1.05677656
C 1.38277618 -0.38540091 2.50590782
C 3.45038298 1.32459010 1.92414276
C 2.42692647 -0.23137898 3.39287857
H 0.57215356 -1.03756245 2.80350243
C 3.49322974 0.60983325 3.09728522
H 2.41863148 -0.76785193 4.33287912
H 4.32150485 0.72012844 3.78296198
H -4.92482171 1.18448188 2.52463139
H -5.24648129 -0.75545781 -2.10125672
H 0.90934141 -5.01048796 1.29445242
H 3.89131796 -2.57630084 -1.88500734
H 1.54247885 4.71519976 -1.53448420
H 4.24774640 2.02060051 1.68310476
P -4.07038073 0.32449387 0.09746905
P 2.34867162 2.36091181 -0.29293036
P 2.00132026 -2.73436248 0.12976989
C -4.95644302 1.84076378 -0.40468411
C -4.44086974 3.08054794 -0.03634473
C -6.11871813 1.78558803 -1.16863636
C -5.07830395 4.24348633 -0.42674467
H -3.53904013 3.12889620 0.55667020
C -6.75196409 2.95213583 -1.55718839
H -6.54309002 0.83166261 -1.44858522
C -6.23337779 4.18288134 -1.18892963
H -4.67048320 5.19994946 -0.13434750
H -7.65558343 2.90010121 -2.14700937
H -6.73154716 5.09184721 -1.49262293
C -5.40914167 -0.79221788 0.62695971
C -5.22066549 -2.16679542 0.51022251
C -6.59172993 -0.30868810 1.17948919
C -6.19850307 -3.04171204 0.94514269
H -4.31078696 -2.54448639 0.06612721
C -7.56642656 -1.18921556 1.61331217
H -6.76207308 0.75704750 1.25530592
C -7.37127266 -2.55573763 1.50021523
H -6.04595885 -4.10656140 0.84730755
H -8.48273717 -0.80618064 2.03861675
H -8.13510634 -3.24007384 1.83892366
C 2.97754499 3.90426893 0.43611617
C 2.20292614 4.45014014 1.45705028
C 4.14089310 4.54409617 0.03021274
C 2.58940056 5.62847825 2.06377649
H 1.29747007 3.93831554 1.75689602
C 4.52294891 5.72647005 0.64220451
H 4.74388583 4.12251740 -0.76272679
C 3.75046249 6.26858546 1.65511543
H 1.98728847 6.05266473 2.85354743
H 5.42645154 6.22622381 0.32415445
H 4.05220818 7.19212484 2.12668890
C 3.56640124 1.98849638 -1.59010965
C 4.65092554 1.16973191 -1.30460923
C 3.45598961 2.58329927 -2.84251404
C 5.62074406 0.94711346 -2.26563951
H 4.72770835 0.71675996 -0.32697775
C 4.43330733 2.36533050 -3.79526464
H 2.59913128 3.20216024 -3.06693389
C 5.51603814 1.54880895 -3.50835385
H 6.46163969 0.30547637 -2.04465820
H 4.35034522 2.82981159 -4.76711364
H 6.27604334 1.37817323 -4.25670607
C 3.28587078 -2.55543871 1.40325126
C 4.45565003 -1.86470316 1.11687252
C 3.13012908 -3.17811333 2.63745608
C 5.46349925 -1.79249842 2.06177835
H 4.56615549 -1.39096188 0.15243613
C 4.14418471 -3.11001316 3.57388963
H 2.21016279 -3.69927154 2.86095096
C 5.31077381 -2.41794095 3.28772816
H 6.37140142 -1.24934817 1.84175362
H 4.02514599 -3.59435065 4.53232571
H 6.09924761 -2.36296375 4.02397121
C 2.41875944 -4.32364371 -0.65185454
C 1.56321804 -4.74368556 -1.66779152
C 3.51503499 -5.10124600 -0.30342938
C 1.80359187 -5.93237554 -2.32751248
H 0.71187410 -4.12597847 -1.92327974
C 3.75052768 -6.29324093 -0.96836006
H 4.18131334 -4.77819693 0.48507890
C 2.89900192 -6.70861645 -1.97777618
H 1.13941601 -6.25784960 -3.11438695
H 4.60274967 -6.89884786 -0.69583336
H 3.08805843 -7.63885898 -2.49282409
130
conf 76  E=-192.86424826 Eh  dE=0.429 kcal/mol  pop=0.61%
Ir -0.34747431 0.07911650 -0.07153456
C -1.66018671 1.03093529 1.33803876
C -1.09660395 1.83309769 2.35909297
C -3.06379410 1.15356656 1.30688686
C -1.81446852 2.60997839 3.24198628
H -0.02282313 1.84863876 2.47601420
C -3.82076783 1.95264159 2.17882367
C -3.19962819 2.67959386 3.16362532
H -1.29286579 3.18113385 4.00008808
H -3.77029015 3.29517237 3.84494322
C -1.86238122 -0.43626689 -1.50080455
C -3.25888624 -0.27153498 -1.39505612
C -1.50703432 -1.04545223 -2.72555753
C -4.18129044 -0.56175171 -2.41167692
C -2.39276912 -1.36460758 -3.73371395
H -0.46769560 -1.27786892 -2.90618572
C -3.74919643 -1.09817964 -3.60043749
H -2.02539499 -1.81590622 -4.64679486
H -4.44529912 -1.31388153 -4.39905471
C -0.66334772 -1.87000484 0.60603689
C -1.92525233 -2.22219316 1.11935713
C 0.23282902 -2.95496058 0.59177292
C -2.27260083 -3.48078419 1.55514032
H -2.67390354 -1.43968138 1.19233040
C -0.09162025 -4.25193972 1.01251189
C -1.35084707 -4.52124253 1.49474331
H -3.26613117 -3.66598861 1.94354711
H -1.61606940 -5.51684306 1.82154547
C 1.17624351 -0.46399042 -1.41076894
C 2.14459822 -1.46953638 -1.20847859
C 1.41135813 0.27184627 -2.59774397
C 3.24957468 -1.68989666 -2.04309591
C 2.46775378 0.04704906 -3.45456912
H 0.69253422 1.02705769 -2.88703647
C 3.42389078 -0.92089914 -3.16831528
H 2.55561379 0.62735991 -4.36409438
H 4.26580390 -1.08333770 -3.82640999
C -0.24820296 2.04193910 -0.81080362
C -1.37985071 2.64126177 -1.40220985
C 0.87364649 2.88976478 -0.81880623
C -1.39502008 3.90305148 -1.95440817
H -2.29850485 2.06810341 -1.44440498
C 0.88474322 4.18459281 -1.35754209
C -0.25154393 4.69456061 -1.93831432
H -2.30201891 4.28611680 -2.40585903
H -0.25658089 5.68758232 -2.36542450
C 1.20075143 0.29863790 1.32146538
C 2.31762539 1.15167168 1.21480630
C 1.20204629 -0.44464680 2.52559403
C 3.34154338 1.23922543 2.16823637
C 2.17869322 -0.34778889 3.49364706
H 0.35899484 -1.08975060 2.73469991
C 3.28109632 0.47873771 3.31169681
H 2.08795775 -0.91827972 4.40897952
H 4.05654470 0.54475999 4.06181818
H -4.89782251 2.01549452 2.06114070
H -5.23509409 -0.34872433 -2.26225944
H 0.64581693 -5.04518930 0.94752214
H 3.95238407 -2.48469343 -1.81361501
H 1.78425516 4.78922509 -1.30555042
H 4.16667655 1.92808334 2.01764522
P -4.06519552 0.28939259 0.10327234
P 2.42327675 2.38558017 -0.08069853
P 1.91737912 -2.73010973 0.04282362
C -5.40207534 1.43668167 -0.36373453
C -5.06547446 2.75516189 -0.65895983
C -6.72980211 1.03125124 -0.44337364
C -6.04677949 3.65419462 -1.03008917
H -4.03513870 3.07111714 -0.57579564
C -7.70836761 1.93675217 -0.81520254
H -6.99961943 0.01044063 -0.20751443
C -7.36960519 3.24691276 -1.10950982
H -5.78113023 4.67690188 -1.25329000
H -8.73922521 1.61804370 -0.87121866
H -8.13665792 3.95166655 -1.39484167
C -4.98667194 -1.10245549 0.85412214
C -5.24848646 -2.26037487 0.12894950
C -5.42783930 -1.00190841 2.17012939
C -5.97097569 -3.28945391 0.70552981
H -4.87383334 -2.35883027 -0.87957326
C -6.14560541 -2.03619132 2.74214842
H -5.19424522 -0.12126408 2.75049710
C -6.42702119 -3.17755902 2.00881436
H -6.17307063 -4.18518436 0.13646999
H -6.48399720 -1.95261058 3.76464307
H -6.99024499 -3.98309385 2.45667363
C 3.01794482 3.88534107 0.75988059
C 2.14996835 4.43847224 1.69859322
C 4.24886002 4.48039451 0.51814873
C 2.51131563 5.57986737 2.38609626
H 1.19205174 3.96460560 1.86976018
C 4.60525281 5.62565339 1.21077036
H 4.92448890 4.05323902 -0.21078002
C 3.74022728 6.17525457 2.14151689
H 1.83638205 6.01013139 3.11106561
H 5.56167547 6.09066031 1.02031160
H 4.02253863 7.06996053 2.67644196
C 3.73618567 2.03457867 -1.28834068
C 4.77116015 1.17370560 -0.94718671
C 3.75049019 2.68277254 -2.51864105
C 5.81679327 0.96527340 -1.82840300
H 4.75057161 0.67721252 0.01187809
C 4.80280854 2.47808052 -3.39127501
H 2.93214530 3.33383451 -2.79013112
C 5.83704889 1.62192966 -3.04725717
H 6.61956709 0.29230472 -1.56312799
H 4.81699959 2.98503198 -4.34512237
H 6.65692000 1.46351837 -3.73240219
C 3.08852617 -2.63957010 1.42952066
C 4.29275949 -1.96442608 1.28331505
C 2.80795850 -3.31533854 2.61259617
C 5.21059068 -1.95984496 2.31828194
H 4.49971817 -1.44995862 0.35634529
C 3.73275610 -3.31460308 3.63942525
H 1.86178102 -3.82560812 2.72470847
C 4.93361775 -2.63746434 3.49385149
H 6.14546705 -1.42929692 2.20828630
H 3.51693806 -3.84014521 4.55837630
H 5.65213330 -2.63527636 4.30031319
C 2.37649798 -4.28391575 -0.78275905
C 1.61752425 -4.63015861 -1.89835026
C 3.42101374 -5.10239763 -0.37341263
C 1.90240082 -5.78691920 -2.59632497
H 0.80680428 -3.98000925 -2.20102552
C 3.70130867 -6.26171470 -1.07725183
H 4.01219087 -4.83595011 0.49225869
C 2.94584277 -6.60399402 -2.18582487
H 1.31405391 -6.05541400 -3.46117602
H 4.51329558 -6.89882071 -0.75780742
H 3.16985027 -7.50875012 -2.73134546
130
conf 77  E=-192.86420584 Eh  dE=0.456 kcal/mol  pop=0.59%
Ir -0.40223032 -0.08286772 -0.01647393
C -1.76085175 0.63959068 1.47966284
C -1.26983612 1.23757799 2.66418662
C -3.16924600 0.65314795 1.45007105
C -2.05248029 1.69315947 3.70384709
H -0.20355084 1.35055376 2.78900956
C -3.99341023 1.10010503 2.49424974
C -3.43720598 1.60410899 3.64428224
H -1.58075857 2.12046847 4.57984642
H -4.05748062 1.93609674 4.46499951
C -1.88487858 -0.78514309 -1.39373812
C -3.29017498 -0.75095561 -1.27522471
C -1.47560637 -1.58932854 -2.48279063
C -4.18277567 -1.42585141 -2.12095633
C -2.33004156 -2.24814069 -3.34059695
H -0.41760654 -1.70235685 -2.67368320
C -3.70621452 -2.17854608 -3.16579953
H -1.92549280 -2.83566685 -4.15537716
H -4.38265229 -2.70545025 -3.82430166
C -0.55961838 -2.07457659 0.61859260
C -1.77210827 -2.55934030 1.15018759
C 0.42977112 -3.07153193 0.53228316
C -1.98427712 -3.86351692 1.53930442
H -2.59031291 -1.85794607 1.27661138
C 0.23938200 -4.40871607 0.90799512
C -0.97455538 -4.81161181 1.41142703
H -2.94250912 -4.15985831 1.94848294
H -1.13855267 -5.83990666 1.70177855
C 1.10790157 -0.45315945 -1.42350580
C 2.16712055 -1.37122033 -1.27467630
C 1.23029500 0.32011487 -2.60261547
C 3.26501323 -1.46662022 -2.14108836
C 2.28301206 0.22142140 -3.48671565
H 0.43018180 1.00223266 -2.85746779
C 3.33829897 -0.65134665 -3.24466115
H 2.29111806 0.82647832 -4.38435719
H 4.17806608 -0.71080241 -3.92271646
C -0.46519533 1.88912614 -0.70996445
C -1.63634740 2.36981656 -1.32925625
C 0.56044873 2.85091247 -0.68510384
C -1.77880305 3.63109582 -1.86300616
H -2.47956318 1.69418444 -1.41569424
C 0.44092123 4.15006605 -1.19903196
C -0.73255719 4.54539666 -1.79583570
H -2.70965428 3.91594487 -2.33711172
H -0.83817767 5.54128579 -2.20271570
C 1.16972707 0.21634406 1.34578667
C 2.18545045 1.19013539 1.27418130
C 1.29026161 -0.59894741 2.49810236
C 3.21486809 1.33593448 2.21549418
C 2.27541317 -0.45580608 3.45155724
H 0.52869891 -1.34414367 2.68504138
C 3.26989024 0.50442873 3.30823853
H 2.27425519 -1.09344330 4.32608361
H 4.04928200 0.61350584 4.04914086
H -5.07180682 1.04651447 2.39220246
H -5.25087978 -1.37522974 -1.93675475
H 1.04333948 -5.12775512 0.78998578
H 4.04442616 -2.19800224 -1.95230085
H 1.26955129 4.84596975 -1.11697793
H 3.95029725 2.12553787 2.09719062
P -4.11007499 0.21259692 -0.00741123
P 2.15393830 2.48154909 0.03413610
P 2.07204942 -2.68541731 -0.06233257
C -4.81723799 1.75770415 -0.68240397
C -5.59277614 1.71102582 -1.83715584
C -4.57736797 2.98075899 -0.06490329
C -6.13557077 2.87222474 -2.35565374
H -5.76586425 0.76635316 -2.33213753
C -5.12558474 4.13835206 -0.58647114
H -3.95216328 3.02327511 0.81497960
C -5.90772442 4.08689755 -1.72864042
H -6.73705997 2.83012616 -3.25212428
H -4.93508034 5.08493089 -0.10217162
H -6.33346095 4.99268613 -2.13494299
C -5.59077158 -0.70337575 0.52467901
C -6.79798612 -0.05600099 0.76851208
C -5.48496186 -2.07139209 0.75903803
C -7.88366187 -0.77043214 1.24329485
H -6.89085050 1.00569200 0.58162050
C -6.57293797 -2.77972760 1.23317437
H -4.55068212 -2.57385859 0.55295701
C -7.77259466 -2.13051766 1.47930527
H -8.81848421 -0.26226364 1.43075256
H -6.48659909 -3.84151140 1.41161222
H -8.62162683 -2.68418677 1.85205473
C 2.60769950 4.00056386 0.92195687
C 1.71584732 4.40497255 1.91276729
C 3.74645545 4.75063341 0.66228113
C 1.96257848 5.55440536 2.63637464
H 0.83190018 3.80740552 2.09603899
C 3.98796794 5.90305566 1.39183001
H 4.43836961 4.43693606 -0.10800770
C 3.09973527 6.30508247 2.37491881
H 1.27009176 5.86987852 3.40266383
H 4.87231753 6.48971020 1.18961668
H 3.29233643 7.20615808 2.93821154
C 3.46659289 2.28323954 -1.20755850
C 4.60186934 1.54610890 -0.89429306
C 3.36821583 2.91255880 -2.44349890
C 5.63459754 1.44377993 -1.80845789
H 4.66981400 1.06116321 0.06865891
C 4.40835104 2.81533001 -3.34922751
H 2.47377681 3.46511557 -2.69263487
C 5.54163337 2.08318699 -3.03336594
H 6.51537446 0.86733494 -1.56432050
H 4.33422534 3.30832706 -4.30756448
H 6.35111027 2.00716918 -3.74444656
C 3.29808117 -2.54470060 1.27157696
C 4.40528249 -1.72237604 1.11219993
C 3.16539918 -3.32080160 2.41833695
C 5.37389574 -1.67209106 2.09839784
H 4.49561483 -1.12820174 0.21468824
C 4.13996309 -3.27098354 3.39687244
H 2.29307813 -3.94682055 2.54230870
C 5.24433260 -2.44818303 3.23803314
H 6.23361259 -1.02855511 1.97810120
H 4.03897277 -3.87272764 4.28848051
H 6.00237533 -2.40956584 4.00650913
C 2.62212687 -4.16380252 -0.96832702
C 1.81782742 -4.56347138 -2.03314573
C 3.78618747 -4.86343525 -0.67842720
C 2.17487473 -5.65676830 -2.79712822
H 0.91371284 -4.00688100 -2.24332166
C 4.13930269 -5.95878364 -1.44880256
H 4.41391398 -4.55498468 0.14669117
C 3.33753711 -6.35531864 -2.50551738
H 1.55048269 -5.96757545 -3.62157225
H 5.04468692 -6.50308382 -1.22225565
H 3.61839073 -7.20975520 -3.10343636
130
conf 78  E=-192.86417321 Eh  dE=0.477 kcal/mol  pop=0.57%
Ir 0.16184122 -0.32970165 -0.04222083
C -0.78679193 0.87805472 1.38655207
C -0.11296153 1.30621420 2.55523774
C -2.09787766 1.39056841 1.30575736
C -0.66696836 2.13191501 3.51027363
H 0.87913667 0.91997997 2.74886275
C -2.66762660 2.26355533 2.24330622
C -1.94730989 2.64849243 3.34862207
H -0.10285472 2.38132468 4.39977540
H -2.37693391 3.31189546 4.08600430
C -1.58594199 -1.32629597 -0.63612974
C -2.90340841 -0.83586763 -0.58805343
C -1.51887272 -2.63664117 -1.15261799
C -4.03182702 -1.55315628 -1.01069554
C -2.60624736 -3.36083758 -1.58894425
H -0.54642235 -3.11105227 -1.22918177
C -3.88602475 -2.82027787 -1.52277586
H -2.46648163 -4.35914166 -1.98484698
H -4.74579096 -3.38333064 -1.85787671
C 0.26032892 -1.91330735 1.38976428
C -0.53665005 -1.84451801 2.55669200
C 0.99088156 -3.11603655 1.33833448
C -0.53326435 -2.77746594 3.57079386
H -1.19738868 -0.99947235 2.68478600
C 1.01470000 -4.08364768 2.35315206
C 0.26903060 -3.90885242 3.49202605
H -1.16312921 -2.62853019 4.43875615
H 0.28907063 -4.63948380 4.28825359
C 1.29294381 -1.30002336 -1.57548594
C 1.83831027 -2.59862569 -1.57205886
C 1.56655504 -0.63265892 -2.79206854
C 2.46410049 -3.21134776 -2.66757323
C 2.18539934 -1.20436280 -3.88346426
H 1.27036767 0.40078911 -2.89564898
C 2.61757937 -2.52414243 -3.84615718
H 2.33162477 -0.61960270 -4.78282017
H 3.07845828 -2.98872083 -4.70645491
C -0.28467663 1.24018741 -1.36183790
C -1.08610655 1.03160752 -2.51039699
C 0.09260909 2.59068996 -1.21225115
C -1.45503437 2.02695499 -3.39031912
H -1.38327503 0.02004513 -2.75427743
C -0.30382833 3.62604500 -2.07071380
C -1.09012929 3.34884373 -3.16325847
H -2.03301904 1.77964507 -4.27144459
H -1.39339323 4.13415679 -3.84126092
C 2.01208047 0.45165144 0.55152434
C 2.40999586 1.80093671 0.57212120
C 3.02435765 -0.41254445 1.01365616
C 3.66712146 2.24951760 1.00093989
C 4.26198792 -0.00311505 1.45765544
H 2.81640965 -1.47710912 1.03879159
C 4.59918588 1.34624148 1.45397866
H 4.97977545 -0.73430516 1.80826496
H 5.57016431 1.67730089 1.79465316
H -3.68687048 2.61270088 2.11087183
H -5.02063705 -1.11531292 -0.92246926
H 1.60968858 -4.98099327 2.23180983
H 2.82689117 -4.22920227 -2.58181092
H 0.03355069 4.64152112 -1.88814417
H 3.90965881 3.30644665 0.96546672
P -3.26043460 0.78195955 0.08525305
P 1.30837599 3.08919422 0.00569942
P 1.93193974 -3.62037524 -0.10278084
C -3.72472263 2.01553280 -1.16684413
C -4.34209864 1.61360949 -2.34657705
C -3.53419574 3.36660906 -0.90930120
C -4.77096598 2.56263897 -3.25532467
H -4.47009753 0.56049263 -2.55188044
C -3.95727487 4.31142886 -1.82684570
H -3.05788345 3.66636305 0.01256078
C -4.58011105 3.91104764 -2.99694213
H -5.25295646 2.25162326 -4.17079641
H -3.80409194 5.36247660 -1.62818419
H -4.91383911 4.64953812 -3.71102674
C -4.80450376 0.54075949 1.01743902
C -5.98518777 1.22729035 0.76828154
C -4.75306723 -0.40703305 2.03698320
C -7.10832476 0.96176442 1.53425998
H -6.02860799 1.96377884 -0.02280661
C -5.87545814 -0.66672997 2.79759234
H -3.82494433 -0.93513017 2.21403130
C -7.05552870 0.01782560 2.54548719
H -8.02791897 1.49387157 1.33804058
H -5.83521465 -1.40351442 3.58607897
H -7.93512944 -0.18647033 3.13786115
C 0.62507539 4.10111708 1.35208205
C 1.34492463 4.27304170 2.52978681
C -0.58090178 4.76570410 1.17339615
C 0.86100863 5.11397191 3.51420328
H 2.27217118 3.73718765 2.67374997
C -1.06468708 5.59881241 2.16611443
H -1.12886964 4.62630453 0.25304447
C -0.34204143 5.77837868 3.33357740
H 1.42122307 5.25010051 4.42794267
H -2.00571605 6.11175479 2.02820025
H -0.71804289 6.43298023 4.10609970
C 2.39318294 4.25300752 -0.87639398
C 2.55956184 5.58595643 -0.52499423
C 3.08828824 3.72806688 -1.96328101
C 3.42052282 6.38638911 -1.25722923
H 2.02135644 5.99611818 0.31892553
C 3.94464515 4.53119988 -2.68985852
H 2.94769152 2.68589825 -2.22005557
C 4.11201526 5.86216293 -2.33605235
H 3.55225058 7.42284460 -0.98204552
H 4.48495354 4.12309670 -3.53113574
H 4.78336748 6.49092741 -2.90192022
C 3.71425860 -3.82321853 0.24256809
C 4.61680802 -2.91114903 -0.29829616
C 4.18741989 -4.85170761 1.05210299
C 5.96830205 -3.02767480 -0.03274516
H 4.25370853 -2.11073281 -0.92658864
C 5.54056700 -4.96179370 1.31695026
H 3.50413970 -5.58000773 1.46510652
C 6.43339923 -4.05084975 0.77703939
H 6.65943320 -2.31575041 -0.45940834
H 5.90006554 -5.76399923 1.94490122
H 7.48941355 -4.14122130 0.98507233
C 1.37645787 -5.31527314 -0.47666839
C 0.04681817 -5.64893416 -0.23226504
C 2.22977905 -6.26630715 -1.02813728
C -0.41996457 -6.91366148 -0.53715628
H -0.61395119 -4.91641361 0.20873941
C 1.75708070 -7.53107778 -1.32993255
H 3.26971137 -6.02748144 -1.20688456
C 0.43299455 -7.85678849 -1.08735002
H -1.45180058 -7.16509691 -0.34045999
H 2.42656226 -8.26589691 -1.75296347
H 0.06907436 -8.84621240 -1.32193294
130
conf 79  E=-192.86416376 Eh  dE=0.482 kcal/mol  pop=0.56%
Ir 0.11923965 0.41378390 -0.01724589
C -1.52736363 1.57586763 0.55971748
C -1.33927913 2.88066974 1.05938514
C -2.88667288 1.22562246 0.46014293
C -2.36233118 3.73513085 1.40670256
H -0.32194949 3.23328173 1.19432579
C -3.94891356 2.07745633 0.79368929
C -3.68911468 3.34192285 1.26606720
H -2.13896749 4.72247088 1.79230819
H -4.49715885 4.01237084 1.52327462
C -0.94341270 -0.73610274 -1.41261014
C -2.27310714 -1.18205948 -1.27142896
C -0.32177580 -1.26208764 -2.57010617
C -2.89802969 -2.10383758 -2.12287945
C -0.92667126 -2.14331599 -3.44039147
H 0.67471592 -0.92306156 -2.82012470
C -2.21619327 -2.60735114 -3.20426197
H -0.39593218 -2.47865519 -4.32230393
H -2.68206146 -3.31981917 -3.87049051
C -0.44427096 -1.05401087 1.37628715
C -1.22227617 -0.71038206 2.50931647
C -0.12348680 -2.42559889 1.34665202
C -1.61342079 -1.60406794 3.48310947
H -1.47745216 0.32938089 2.66405535
C -0.53519504 -3.35910014 2.30892433
C -1.29250590 -2.95243169 3.38117999
H -2.17196839 -1.25379509 4.34142479
H -1.60544629 -3.65774831 4.13805173
C 1.85810477 -0.55268894 -0.66018782
C 2.16241004 -1.92410476 -0.59426739
C 2.87581229 0.19334148 -1.28768648
C 3.34647304 -2.49699140 -1.07995081
C 4.03827424 -0.34156137 -1.79639614
H 2.72651157 1.26074503 -1.40324360
C 4.29034615 -1.70543287 -1.69006638
H 4.76241699 0.30095088 -2.28139177
H 5.20430834 -2.13307933 -2.07775823
C 0.28898754 2.01331079 -1.43107220
C -0.59606776 2.04281868 -2.53398700
C 1.03259547 3.20793619 -1.33224419
C -0.71705139 3.09220790 -3.41929798
H -1.22913061 1.18477530 -2.71185356
C 0.91870407 4.29784509 -2.20787480
C 0.04179208 4.24512582 -3.26309736
H -1.41878730 3.02379321 -4.24124425
H -0.05860307 5.07910787 -3.94369418
C 1.40879027 1.25462929 1.47863723
C 2.13779077 2.45894787 1.42978083
C 1.65836811 0.55606865 2.68362014
C 2.92893023 2.96541502 2.47242033
C 2.43499716 1.02265020 3.72269492
H 1.21277848 -0.41694360 2.82488758
C 3.06432016 2.25810612 3.64163290
H 2.55155926 0.42015424 4.61486170
H 3.65546409 2.64262852 4.46086935
H -4.97417784 1.74552547 0.66743323
H -3.92558214 -2.40200144 -1.94021677
H -0.22943977 -4.39712252 2.22391251
H 3.52185303 -3.56193634 -0.96649142
H 1.50446656 5.19538481 -2.03887310
H 3.43400397 3.91779856 2.35393900
P -3.37629556 -0.40233271 -0.09647790
P 2.25868615 3.45782879 -0.05053504
P 1.02378211 -3.08842692 0.14152316
C -4.91458042 -0.15515118 -1.03519065
C -4.82839241 0.69489621 -2.13544540
C -6.11676984 -0.78318177 -0.73732589
C -5.93738261 0.91524393 -2.92782186
H -3.88363138 1.17696251 -2.35106703
C -7.22571147 -0.55806405 -1.53585681
H -6.18689765 -1.44493454 0.11541470
C -7.13777867 0.28728408 -2.62869615
H -5.87031154 1.57456994 -3.78048291
H -8.16088471 -1.04668205 -1.30335884
H -8.00534412 0.45729711 -3.24904512
C -3.89497879 -1.49472272 1.25978913
C -3.74033290 -2.86914343 1.13903017
C -4.51529414 -0.95888517 2.38361646
C -4.20005766 -3.70497205 2.14061386
H -3.25840129 -3.26940027 0.25911619
C -4.97762696 -1.79989229 3.37802831
H -4.61821479 0.11293314 2.47769594
C -4.82168843 -3.17210734 3.25750674
H -4.07599196 -4.77462324 2.05031711
H -5.45903547 -1.38627993 4.25231810
H -5.18171745 -3.82583040 4.03833574
C 2.20937372 5.21071378 0.43890370
C 0.97209945 5.81782231 0.63423181
C 3.37420353 5.92875680 0.69121587
C 0.90355176 7.12467782 1.07895899
H 0.06942496 5.26324367 0.42124688
C 3.29928020 7.23680569 1.13596342
H 4.33996689 5.46683607 0.53389025
C 2.06604034 7.83511136 1.33397614
H -0.05878637 7.59213094 1.22774644
H 4.20719712 7.78935296 1.32996193
H 2.01139458 8.85532330 1.68402277
C 3.96037896 3.26657649 -0.69138803
C 4.87360038 2.43714215 -0.04878711
C 4.34172437 3.94499671 -1.84522581
C 6.15769636 2.30579561 -0.54507021
H 4.57153806 1.88821010 0.83109042
C 5.62620525 3.80725522 -2.33838786
H 3.63137428 4.57654375 -2.35901475
C 6.53781817 2.99177005 -1.68693984
H 6.86169981 1.65971293 -0.04132024
H 5.91724085 4.33648259 -3.23410893
H 7.54082904 2.88593469 -2.07370220
C 2.08583996 -4.22526070 1.08059495
C 2.87102057 -3.63448725 2.06807212
C 2.15279414 -5.59487077 0.86495293
C 3.71833519 -4.41101947 2.83277027
H 2.80628815 -2.56412855 2.21694009
C 3.00520154 -6.36827328 1.63565131
H 1.54392555 -6.05321868 0.09704181
C 3.78600952 -5.77975501 2.61594694
H 4.32888381 -3.95333106 3.59697548
H 3.06030297 -7.43408490 1.46797916
H 4.45008167 -6.38790655 3.21218459
C 0.20809437 -4.15293380 -1.08595125
C -1.00277872 -4.75860589 -0.77354337
C 0.81584215 -4.41007266 -2.30975124
C -1.59874465 -5.62049860 -1.67612269
H -1.46787872 -4.55315666 0.17964613
C 0.22097697 -5.28154353 -3.20330908
H 1.74501427 -3.91851309 -2.55933739
C -0.98438516 -5.88800449 -2.88815908
H -2.54228465 -6.08776567 -1.43309616
H 0.69594497 -5.48591369 -4.15175419
H -1.44736279 -6.56614056 -3.58992202
130
conf 80  E=-192.86415303 Eh  dE=0.489 kcal/mol  pop=0.56%
Ir 0.26099749 -0.28439311 0.02127177
C -0.76718847 0.94632113 1.38105186
C -0.10356171 1.48255175 2.51216424
C -2.12260843 1.32771528 1.32923716
C -0.70845302 2.27318271 3.46574711
H 0.92829636 1.20695639 2.68399325
C -2.75207299 2.15610963 2.26968829
C -2.04295115 2.64090177 3.34244539
H -0.14188500 2.60805292 4.32496417
H -2.51838287 3.26798402 4.08339347
C -1.42268192 -1.34710420 -0.62090769
C -2.77051580 -0.94784577 -0.57790233
C -1.25757218 -2.61102652 -1.22173854
C -3.84036020 -1.71592029 -1.05906936
C -2.28325514 -3.38028248 -1.72398525
H -0.25051198 -2.99850632 -1.32197958
C -3.59947792 -2.93837319 -1.63984237
H -2.06669763 -4.33468866 -2.18717616
H -4.41259127 -3.53934539 -2.02216333
C 0.36372191 -1.78880515 1.54998195
C -0.36293710 -1.63893952 2.75469194
C 1.06837317 -3.00848757 1.53083500
C -0.31786252 -2.51290578 3.82002921
H -1.00274893 -0.77797807 2.87486020
C 1.14041528 -3.91508568 2.59967399
C 0.46495624 -3.65896087 3.76761928
H -0.89600442 -2.29991925 4.71048127
H 0.52583098 -4.33704210 4.60727293
C 1.58686008 -1.23692066 -1.36536943
C 2.25441394 -2.47386993 -1.24687205
C 2.05503459 -0.49940977 -2.47761167
C 3.25531602 -2.93153424 -2.11658887
C 3.02389609 -0.93103974 -3.35786796
H 1.62814309 0.47507548 -2.66899167
C 3.64400676 -2.16188966 -3.18516210
H 3.31357462 -0.30075270 -4.18941982
H 4.41474642 -2.50160859 -3.86290974
C -0.20780829 1.17744222 -1.40545210
C -0.94673500 0.86786318 -2.57198079
C 0.04618017 2.55866912 -1.28432824
C -1.40306544 1.80808648 -3.47051029
H -1.13175279 -0.17239550 -2.80468730
C -0.43755490 3.53650875 -2.16473206
C -1.18529565 3.16475690 -3.25578560
H -1.93546776 1.49074114 -4.35805305
H -1.56616940 3.90535148 -3.94495440
C 2.06958078 0.59997681 0.60423063
C 2.41807360 1.95942342 0.49998786
C 3.11682952 -0.18965700 1.12133822
C 3.66985968 2.48368277 0.85139806
C 4.35167351 0.29911958 1.48686034
H 2.93718308 -1.25124238 1.25589102
C 4.64542938 1.65145430 1.34652121
H 5.10431907 -0.36949655 1.88667644
H 5.61642644 2.04003116 1.61995521
H -3.80739573 2.38874606 2.16772404
H -4.85782926 -1.35038803 -0.96553741
H 1.73182436 -4.81901657 2.50299572
H 3.74218203 -3.88372020 -1.93299250
H -0.20290920 4.58279818 -1.99651305
H 3.87407479 3.54136798 0.72136828
P -3.24220277 0.62845038 0.11882207
P 1.23972758 3.16636285 -0.09584942
P 1.86735356 -3.63792083 0.05824968
C -3.74602214 1.83633369 -1.14261126
C -3.69268720 3.19409412 -0.85257733
C -4.24062832 1.40833751 -2.36938919
C -4.13449713 4.11789835 -1.78199744
H -3.30960109 3.51652561 0.10471549
C -4.69204083 2.33605801 -3.28995371
H -4.25930932 0.35275895 -2.59936154
C -4.64014097 3.68960985 -2.99818353
H -4.08803662 5.17378024 -1.55693181
H -5.08137142 2.00383603 -4.24125322
H -4.99007739 4.41176675 -3.72115212
C -4.77352880 0.28025180 1.03284973
C -4.66471252 -0.66326854 2.05193252
C -5.99791004 0.87692869 0.76473845
C -5.77564239 -1.00661698 2.79610779
H -3.70148972 -1.11970038 2.24123566
C -7.10869173 0.52765122 1.51489017
H -6.08239694 1.60833174 -0.02791060
C -6.99943463 -0.41085593 2.52692630
H -5.69255762 -1.73947536 3.58494367
H -8.06280243 0.98939892 1.30608056
H -7.86963489 -0.68065954 3.10682129
C 0.51248453 4.17722864 1.22754961
C 1.26418065 4.48584052 2.35664094
C -0.76159030 4.70663029 1.07369957
C 0.73837729 5.32211912 3.32299669
H 2.24928254 4.05761554 2.47646680
C -1.28496624 5.53720431 2.04818141
H -1.33066053 4.46030578 0.18933588
C -0.53494227 5.84865028 3.16987041
H 1.32038270 5.56382676 4.20054287
H -2.27871594 5.94569208 1.93261373
H -0.94352549 6.49957011 3.92884589
C 2.22087364 4.37503326 -1.03706831
C 2.24988398 5.73596371 -0.76244931
C 2.94562537 3.86766663 -2.11308617
C 3.00325962 6.58178505 -1.55934560
H 1.68717310 6.13381893 0.07122147
C 3.69451270 4.71594798 -2.90417405
H 2.91243019 2.80407557 -2.31088797
C 3.72317148 6.07519821 -2.62783335
H 3.02599131 7.64038327 -1.34441198
H 4.25670454 4.32218231 -3.73791269
H 4.30742304 6.73990678 -3.24686718
C 3.41761024 -4.45250836 0.55460449
C 3.46932576 -5.81669384 0.82297586
C 4.55595950 -3.67224062 0.73563345
C 4.64667824 -6.39064656 1.26894804
H 2.59008354 -6.43043979 0.67792911
C 5.72933529 -4.25137714 1.18065551
H 4.51630270 -2.61574164 0.51150698
C 5.77601950 -5.61002381 1.45109965
H 4.68113538 -7.45041410 1.47608557
H 6.61107943 -3.64274413 1.31744681
H 6.69268396 -6.06115296 1.80117450
C 0.85368542 -5.03335720 -0.54943755
C 1.22417236 -5.69835275 -1.71452274
C -0.29567041 -5.42493451 0.12918675
C 0.46223622 -6.75282898 -2.18319027
H 2.10442019 -5.38540436 -2.25733837
C -1.05157143 -6.48249206 -0.34253693
H -0.60092661 -4.89179101 1.01759141
C -0.67359304 -7.15020795 -1.49584417
H 0.75374086 -7.26535825 -3.08841484
H -1.94342064 -6.78079855 0.18887544
H -1.26744403 -7.97397323 -1.86400540
130
conf 81  E=-192.86414918 Eh  dE=0.492 kcal/mol  pop=0.55%
Ir 0.29428227 0.28173888 0.01121937
C -1.23203726 1.53879479 0.69196516
C -0.90257633 2.77460963 1.28407134
C -2.61792057 1.30001262 0.68739601
C -1.81702677 3.65735484 1.81392631
H 0.14532788 3.04299478 1.35201154
C -3.57654321 2.18730197 1.19720250
C -3.17773457 3.37191412 1.76924321
H -1.47767333 4.58012719 2.26754435
H -3.90369629 4.06286510 2.17431323
C -0.90516365 -0.81394335 -1.32181101
C -2.29419821 -1.03334522 -1.23399342
C -0.33848391 -1.42109525 -2.46951567
C -3.04083996 -1.77938495 -2.15748285
C -1.05669204 -2.13269617 -3.40651520
H 0.71400761 -1.26858281 -2.66761014
C -2.42148044 -2.34160780 -3.24790248
H -0.55621483 -2.52992594 -4.28005220
H -2.98631900 -2.90683188 -3.97574715
C -0.31939960 -1.11467239 1.44926774
C -0.99147976 -0.72036320 2.63071294
C -0.24213217 -2.51632862 1.32106140
C -1.54514221 -1.60014212 3.53580494
H -1.03996662 0.33378590 2.86945469
C -0.82831148 -3.42993873 2.20816887
C -1.50372662 -2.97241622 3.31373208
H -2.01662089 -1.22254932 4.43415493
H -1.96199553 -3.66241050 4.00829054
C 1.96855851 -0.81486068 -0.61079823
C 2.15378033 -2.20574915 -0.50580843
C 3.09036259 -0.15847496 -1.15675782
C 3.32645924 -2.87723180 -0.87889449
C 4.24926684 -0.79298448 -1.54622469
H 3.03575295 0.91647226 -1.29519121
C 4.38317002 -2.16978391 -1.40085291
H 5.06662001 -0.22124986 -1.96869301
H 5.29477657 -2.67270110 -1.69175004
C 0.53943957 1.76340644 -1.52239252
C -0.24304098 1.71194088 -2.70010952
C 1.39460136 2.88270382 -1.52979032
C -0.12642881 2.57847939 -3.76609516
H -0.99239439 0.94066300 -2.79583391
C 1.54218078 3.77787365 -2.60035764
C 0.79673519 3.61588148 -3.74221687
H -0.75965017 2.44547140 -4.63433997
H 0.91185036 4.28533927 -4.58314946
C 1.75664355 1.06615497 1.36464135
C 2.57790391 2.20381623 1.21962936
C 2.14673956 0.28316007 2.47591746
C 3.64826668 2.53279724 2.06432564
C 3.18243102 0.59056143 3.33192735
H 1.59903605 -0.62450034 2.68699426
C 3.95560122 1.72716632 3.13288305
H 3.40399367 -0.06542425 4.16456567
H 4.77905138 1.96751089 3.79088178
H -4.63211049 1.94388688 1.13228692
H -4.11331110 -1.88609285 -2.02851393
H -0.72898226 -4.49659586 2.03349968
H 3.40614033 -3.95099504 -0.74478475
H 2.24656831 4.59900152 -2.52531753
H 4.25209463 3.41099316 1.86113442
P -3.29279700 -0.20580890 0.00126030
P 2.31761127 3.40173328 -0.08680478
P 0.84970851 -3.26204346 0.11362185
C -4.78478115 0.33371733 -0.88493423
C -4.57630492 1.26554118 -1.89919669
C -6.06856420 -0.11318255 -0.60368643
C -5.64719910 1.74647948 -2.62560028
H -3.56766524 1.60407546 -2.09920490
C -7.13875523 0.37376779 -1.33589953
H -6.23036718 -0.83543692 0.18537034
C -6.93029340 1.30048006 -2.34326385
H -5.48637202 2.47010999 -3.41092944
H -8.13884027 0.02885308 -1.11684513
H -7.76897424 1.67770796 -2.90951658
C -3.92006742 -1.34620935 1.27038176
C -4.03915084 -2.69974495 0.98007727
C -4.33660363 -0.86353118 2.50597940
C -4.57613802 -3.56385873 1.91695027
H -3.71420510 -3.06620088 0.01712231
C -4.88312763 -1.73028318 3.43426488
H -4.22020268 0.18555354 2.73676843
C -5.00423427 -3.07926095 3.14161881
H -4.66409096 -4.61689838 1.69092470
H -5.21158788 -1.35451436 4.39227672
H -5.42841975 -3.75396813 3.87066009
C 1.51583604 4.92241794 0.53527648
C 0.37171426 5.42222139 -0.07808545
C 2.04278822 5.57750213 1.64441215
C -0.22405601 6.57412047 0.40181458
H -0.05465965 4.90023791 -0.92213936
C 1.44097627 6.72741966 2.12144012
H 2.92153127 5.18506910 2.13560453
C 0.30988503 7.23052953 1.49860024
H -1.11246270 6.95625147 -0.07927071
H 1.85455230 7.23262972 2.98215166
H -0.15816926 8.12934692 1.87252000
C 3.94794909 4.00101402 -0.63196755
C 4.97393761 3.07964913 -0.82192359
C 4.16564432 5.34257957 -0.93047689
C 6.19950405 3.49703239 -1.30614396
H 4.80753829 2.04095189 -0.57421003
C 5.39455547 5.75440086 -1.41477081
H 3.37587601 6.06635205 -0.77808951
C 6.41110344 4.83353865 -1.60646533
H 6.99343267 2.77892628 -1.45035627
H 5.55749073 6.79747403 -1.64439924
H 7.36830440 5.15814618 -1.98700004
C 1.69546005 -4.57827611 1.04148357
C 2.48511330 -4.15978784 2.11007079
C 1.56882259 -5.93258972 0.76214831
C 3.14404034 -5.08985977 2.88913750
H 2.57316081 -3.10000251 2.31157004
C 2.23279712 -6.86074423 1.54684624
H 0.95507943 -6.26115139 -0.06573735
C 3.01775711 -6.44250991 2.60778499
H 3.75661841 -4.76498527 3.71707315
H 2.13503597 -7.91430009 1.32819509
H 3.53221662 -7.17100548 3.21689574
C -0.01156187 -4.17545926 -1.20020110
C -1.33699363 -4.55147714 -1.02926726
C 0.68120970 -4.56241532 -2.34278141
C -1.96937605 -5.30742258 -1.99987570
H -1.86028589 -4.24512147 -0.13539677
C 0.04567385 -5.32338244 -3.30542887
H 1.70795309 -4.25244292 -2.47630792
C -1.27847139 -5.69689460 -3.13511592
H -3.00269150 -5.59614858 -1.87102609
H 0.58165549 -5.62491078 -4.19374709
H -1.77275553 -6.28868251 -3.89152989
130
conf 82  E=-192.86414861 Eh  dE=0.492 kcal/mol  pop=0.55%
Ir 0.28805837 0.32725883 0.01670999
C -1.26814101 1.56158290 0.67314158
C -0.96670590 2.80092387 1.27231158
C -2.65020657 1.30204355 0.64851822
C -1.90173654 3.66895516 1.79052764
H 0.07582492 3.08432448 1.35791434
C -3.62941934 2.17386516 1.14556288
C -3.25717490 3.36352307 1.72508234
H -1.58272418 4.59529049 2.25154594
H -3.99937695 4.04252532 2.12078581
C -0.87693227 -0.78988588 -1.32974759
C -2.26403818 -1.02851704 -1.26331630
C -0.28388225 -1.39470641 -2.46555331
C -2.98578446 -1.78786086 -2.19576826
C -0.97704233 -2.12035227 -3.41056479
H 0.76950859 -1.22890050 -2.64758266
C -2.34154311 -2.34598022 -3.27377442
H -0.45669267 -2.51501821 -4.27361873
H -2.88689876 -2.92131043 -4.00852807
C -0.32095797 -1.07275177 1.45394085
C -1.01135790 -0.68365367 2.62635386
C -0.21497118 -2.47336373 1.33641734
C -1.55493380 -1.56791825 3.53317023
H -1.08297113 0.37085110 2.85732446
C -0.79163236 -3.39226311 2.22435968
C -1.48497312 -2.94058260 3.32111565
H -2.04082138 -1.19362452 4.42519097
H -1.93551746 -3.63486146 4.01644466
C 1.98835404 -0.74500754 -0.57899490
C 2.19457093 -2.13243957 -0.46624693
C 3.10721587 -0.07275505 -1.11202472
C 3.38226953 -2.78680158 -0.82199561
C 4.28121925 -0.69035449 -1.48319480
H 3.03767795 1.00038743 -1.25593973
C 4.43474508 -2.06450613 -1.33192140
H 5.09512508 -0.10690713 -1.89610769
H 5.35803100 -2.55401641 -1.60856422
C 0.53874197 1.80851802 -1.51742617
C -0.20673920 1.73407505 -2.71770076
C 1.36780038 2.94735364 -1.50497734
C -0.07748316 2.59797060 -3.78444655
H -0.93406492 0.94483005 -2.83249687
C 1.52635179 3.84139934 -2.57502243
C 0.82012888 3.65684019 -3.73814931
H -0.67995122 2.44569150 -4.67120641
H 0.94556968 4.32483154 -4.57871213
C 1.71859752 1.13599417 1.38929356
C 2.50741924 2.29885354 1.26794397
C 2.11797340 0.35141919 2.49625614
C 3.55277944 2.65232507 2.13386642
C 3.13046515 0.68089302 3.37132065
H 1.59701757 -0.57619940 2.68757292
C 3.86834260 1.84500214 3.19862867
H 3.36130805 0.02154408 4.19873862
H 4.67262480 2.10442873 3.87284142
H -4.68003731 1.91403483 1.06579399
H -4.05869297 -1.90834049 -2.08349305
H -0.67115913 -4.45792755 2.05722621
H 3.47673146 -3.85880624 -0.68348697
H 2.20864226 4.67928623 -2.48268747
H 4.13140915 3.55150587 1.95015116
P -3.29165614 -0.21586557 -0.04227003
P 2.24133352 3.49263084 -0.04115270
P 0.90064239 -3.20664581 0.14338592
C -4.78580658 0.29416060 -0.94180614
C -4.58449883 1.21562373 -1.96695086
C -6.06596236 -0.15991794 -0.65563605
C -5.65890208 1.67852226 -2.69987799
H -3.57850381 1.56035229 -2.16980765
C -7.13974013 0.30923780 -1.39422970
H -6.22235329 -0.87381337 0.14204503
C -6.93840285 1.22525103 -2.41273316
H -5.50377874 2.39427897 -3.49351494
H -8.13708582 -0.04108005 -1.17129627
H -7.78000286 1.58867485 -2.98367122
C -3.90931238 -1.36272841 1.22579164
C -4.33865576 -0.88432120 2.45857828
C -4.00813471 -2.71805429 0.93625390
C -4.87739257 -1.75767756 3.38526077
H -4.23863130 0.16664076 2.68848543
C -4.53624053 -3.58876973 1.87200229
H -3.67463806 -3.08013970 -0.02545219
C -4.97706081 -3.10867354 3.09399548
H -5.21623605 -1.38550699 4.34108078
H -4.60787771 -4.64329392 1.64720880
H -5.39460293 -3.78862940 3.82198435
C 1.39072402 4.99604193 0.55752196
C 0.25371937 5.47133542 -0.08774144
C 1.87083173 5.66009800 1.68241584
C -0.38149495 6.60830065 0.37695689
H -0.13641525 4.94149363 -0.94433573
C 1.22957045 6.79486724 2.14410417
H 2.74331874 5.28578590 2.19829024
C 0.10557656 7.27365991 1.49001713
H -1.26445232 6.97138270 -0.12832325
H 1.60637769 7.30692949 3.01752799
H -0.39360775 8.16035986 1.85245122
C 3.87104953 4.12413385 -0.54944775
C 4.91535925 3.21924291 -0.71739264
C 4.07459762 5.46991925 -0.83776190
C 6.14631200 3.65740358 -1.16792523
H 4.75784372 2.17701716 -0.47862885
C 5.30898868 5.90248665 -1.28912121
H 3.26958073 6.18033649 -0.70335711
C 6.34455241 4.99841618 -1.45711105
H 6.95471088 2.95224362 -1.29390240
H 5.46152480 6.94873488 -1.51120592
H 7.30629958 5.33961160 -1.81065321
C 1.75502074 -4.50879608 1.08338329
C 2.53540126 -4.07767855 2.15370830
C 1.63916673 -5.86596087 0.81299137
C 3.19575866 -4.99797399 2.94322641
H 2.61554365 -3.01606354 2.34857903
C 2.30429032 -6.78422101 1.60822562
H 1.03258577 -6.20439744 -0.01615942
C 3.07993161 -6.35337359 2.67096805
H 3.80113604 -4.66319969 3.77250137
H 2.21433842 -7.83989808 1.39658625
H 3.59496226 -7.07421273 3.28865078
C 0.06233284 -4.13656596 -1.17332592
C -1.26083128 -4.52443735 -1.01202066
C 0.77001757 -4.52514533 -2.30613609
C -1.87650099 -5.29366812 -1.98286403
H -1.79506207 -4.21678474 -0.12511030
C 0.15119686 -5.29952116 -3.26897490
H 1.79510449 -4.20633632 -2.43161944
C -1.17085905 -5.68473069 -3.10843394
H -2.90811503 -5.59169253 -1.86168693
H 0.69852878 -5.60278643 -4.14971406
H -1.65195789 -6.28718910 -3.86490961
130
conf 83  E=-192.86414420 Eh  dE=0.495 kcal/mol  pop=0.55%
Ir 0.26643285 -0.31976515 -0.01224227
C -0.71080748 0.94683882 1.34948842
C -0.01675120 1.47954152 2.46364226
C -2.05766110 1.35902671 1.31392069
C -0.58766015 2.29571071 3.41650623
H 1.01094123 1.18122827 2.62212303
C -2.65217782 2.21394594 2.25333419
C -1.91449497 2.69487356 3.30841524
H -0.00016537 2.62681215 4.26302573
H -2.36277371 3.34299394 4.04818746
C -1.44701503 -1.35900330 -0.60847744
C -2.78521477 -0.93072973 -0.54832962
C -1.31751697 -2.63495493 -1.19268887
C -3.87873839 -1.68301484 -1.00036670
C -2.36767911 -3.38889811 -1.66698005
H -0.32042350 -3.04580192 -1.30155887
C -3.67281681 -2.91791594 -1.56806518
H -2.17933423 -4.35470040 -2.11883195
H -4.50455997 -3.50667300 -1.92874611
C 0.36065729 -1.80664478 1.53273997
C -0.36390438 -1.63534832 2.73596123
C 1.04986784 -3.03507514 1.52571389
C -0.33071996 -2.49973002 3.80943322
H -0.99392220 -0.76584830 2.84678230
C 1.11070313 -3.93161525 2.60351618
C 0.43782361 -3.65582253 3.76843680
H -0.90739732 -2.27154220 4.69706161
H 0.48993792 -4.32635216 4.61468685
C 1.55111672 -1.31440459 -1.40702474
C 2.21495995 -2.55180690 -1.27252881
C 2.00363983 -0.60350739 -2.54294674
C 3.20142018 -3.03127180 -2.14692521
C 2.95874547 -1.05675098 -3.42724962
H 1.57607891 0.36765126 -2.74925709
C 3.57833509 -2.28516632 -3.23621859
H 3.23843748 -0.44532581 -4.27613485
H 4.33926873 -2.64128271 -3.91666120
C -0.20647979 1.13309708 -1.44848356
C -0.98143321 0.82331299 -2.59154472
C 0.07413717 2.51110379 -1.35098985
C -1.44597020 1.76099318 -3.48861464
H -1.18927156 -0.21614391 -2.80789412
C -0.41622872 3.48705737 -2.22980807
C -1.19961267 3.11604960 -3.29586331
H -2.00743644 1.44265720 -4.35770781
H -1.58637299 3.85513303 -3.98336784
C 2.10290555 0.53891051 0.52247029
C 2.47875762 1.88761092 0.38078436
C 3.14305921 -0.26227928 1.03620083
C 3.75010578 2.39059464 0.69079150
C 4.39629625 0.20633975 1.36340863
H 2.94250978 -1.31613482 1.20046151
C 4.71785757 1.54757043 1.18292956
H 5.14203289 -0.46954097 1.76399409
H 5.70371735 1.91951514 1.42440675
H -3.70310121 2.47074578 2.16494520
H -4.88685228 -1.29567403 -0.89381196
H 1.69073843 -4.84365272 2.51633974
H 3.68736829 -3.98138726 -1.95124764
H -0.15866335 4.53087398 -2.08078848
H 3.97487380 3.44006589 0.53126748
P -3.21407574 0.66338570 0.13624473
P 1.31054708 3.11013381 -0.20275165
P 1.83723957 -3.69055356 0.05786435
C -3.73134579 1.86343564 -1.12758995
C -3.64024964 3.22397616 -0.86116520
C -4.27504085 1.42778908 -2.33085231
C -4.09637454 4.14280167 -1.78883689
H -3.21640495 3.55307486 0.07646272
C -4.73941423 2.35069923 -3.24960142
H -4.32179767 0.36971291 -2.54450644
C -4.65252363 3.70716027 -2.97994723
H -4.02126327 5.20064341 -1.58148590
H -5.16712572 2.01271963 -4.18222333
H -5.01413148 4.42521346 -3.70130152
C -4.72761295 0.35059018 1.09244924
C -4.61092776 -0.59374750 2.10989953
C -5.94437133 0.97753890 0.86136667
C -5.70640693 -0.90832336 2.88882141
H -3.65400450 -1.07376700 2.27056450
C -7.03968160 0.65719387 1.64638274
H -6.03526645 1.70979699 0.07019030
C -6.92266016 -0.28246586 2.65649578
H -5.61708052 -1.64187594 3.67633104
H -7.98793152 1.14255509 1.46649273
H -7.78082748 -0.52931438 3.26390031
C 0.64091891 4.14600761 1.13173182
C -0.62145661 4.70993776 1.00661050
C 1.42731658 4.43648886 2.24183087
C -1.09808433 5.55716539 1.99076103
H -1.21889572 4.47757508 0.13724595
C 0.94792743 5.28875353 3.21823772
H 2.40282721 3.98144636 2.33932955
C -0.31357941 5.84999648 3.09371848
H -2.08253917 5.99288461 1.89752504
H 1.55692984 5.51534662 4.08135544
H -0.68628274 6.51310373 3.86055449
C 2.28644867 4.29094973 -1.18390463
C 2.96383900 3.76256641 -2.28044990
C 2.35300892 5.65258007 -0.91905853
C 3.70202314 4.59091089 -3.10226884
H 2.90233101 2.69883340 -2.47045095
C 3.09554582 6.47820591 -1.74664506
H 1.82753257 6.06662297 -0.06914399
C 3.76747211 5.95091197 -2.83618554
H 4.22685433 4.18096960 -3.95241207
H 3.14708898 7.53732429 -1.53940511
H 4.34276588 6.60007304 -3.47963341
C 3.38433023 -4.51213570 0.55371993
C 4.53951641 -3.74781891 0.69024204
C 3.41669147 -5.86766642 0.86664135
C 5.70991145 -4.33418376 1.13418012
H 4.51548759 -2.69861328 0.43224307
C 4.59067617 -6.44856366 1.31217519
H 2.52495846 -6.47034390 0.75575688
C 5.73701628 -5.68370978 1.44907048
H 6.60499999 -3.73819772 1.23529188
H 4.60909294 -7.50135180 1.55410877
H 6.65136908 -6.14019661 1.79827764
C 0.81013163 -5.08890447 -0.51894154
C -0.36177478 -5.43246742 0.14698808
C 1.19647215 -5.80837538 -1.64590184
C -1.12488194 -6.49592056 -0.29916814
H -0.67775249 -4.85798997 1.00539792
C 0.42783224 -6.86901314 -2.08886079
H 2.09637045 -5.53511686 -2.17781949
C -0.73097008 -7.21803963 -1.41376178
H -2.03397984 -6.75718393 0.22243279
H 0.73274792 -7.42486020 -2.96359425
H -1.32937474 -8.04762566 -1.76083111
130
conf 84  E=-192.86413453 Eh  dE=0.501 kcal/mol  pop=0.54%
Ir 0.14006254 -0.36964239 0.01286304
C -0.72640393 0.82163430 1.50525272
C 0.01053556 1.25202049 2.63423018
C -2.02076646 1.37935386 1.46752725
C -0.46427721 2.13970605 3.57584074
H 0.99120172 0.82707733 2.80264502
C -2.51220305 2.31144141 2.39213348
C -1.72509972 2.71143792 3.44498509
H 0.14750312 2.39541868 4.43152047
H -2.08926724 3.42741909 4.16833308
C -1.63725890 -1.36949366 -0.47589686
C -2.95110571 -0.89944428 -0.29421307
C -1.59870704 -2.67644557 -1.00326339
C -4.10410220 -1.64163400 -0.58643162
C -2.71329299 -3.42486907 -1.31123428
H -0.62824324 -3.12272568 -1.19515830
C -3.98862321 -2.91261988 -1.09696494
H -2.60188647 -4.42046782 -1.72313016
H -4.86804422 -3.49838790 -1.32518394
C 0.28868928 -2.01091938 1.37808997
C -0.48433360 -1.98870894 2.56217471
C 0.94268195 -3.24892740 1.21049301
C -0.56576187 -3.02277061 3.46983693
H -1.05486321 -1.09971203 2.79100154
C 0.86865158 -4.32217177 2.11036911
C 0.11818203 -4.21238917 3.25474437
H -1.17528933 -2.91139659 4.35788131
H 0.05373729 -5.03160833 3.95719239
C 1.22070105 -1.27643673 -1.60299186
C 1.79996666 -2.55904161 -1.65781268
C 1.44153547 -0.56545334 -2.80615208
C 2.41442015 -3.11877321 -2.78807239
C 2.04450437 -1.08479074 -3.93197604
H 1.11582441 0.46159200 -2.87303152
C 2.51495997 -2.39154978 -3.94856106
H 2.14794303 -0.46740383 -4.81548457
H 2.96534877 -2.81532570 -4.83509792
C -0.38088650 1.19351075 -1.28993391
C -1.25365558 0.96440842 -2.38183201
C 0.05574779 2.53181834 -1.22813301
C -1.62487706 1.92850774 -3.29451762
H -1.60539008 -0.04339741 -2.55822280
C -0.33678267 3.53790030 -2.12282184
C -1.18813547 3.24102460 -3.16001429
H -2.26002216 1.66273350 -4.12956169
H -1.48697718 4.00226244 -3.86675235
C 2.00316694 0.41609958 0.55247955
C 2.41850822 1.75940914 0.51891187
C 3.00120050 -0.44046487 1.05933448
C 3.68240374 2.20890343 0.92711847
C 4.24308022 -0.02844682 1.48871857
H 2.77359976 -1.49698989 1.14112533
C 4.60165436 1.31368610 1.42023020
H 4.94714635 -0.75204968 1.88018823
H 5.57774321 1.64528981 1.74550879
H -3.52108532 2.69842096 2.28947827
H -5.08603415 -1.21990412 -0.39876326
H 1.38394556 -5.25141798 1.89278135
H 2.81013526 -4.12720395 -2.74469311
H 0.05654792 4.54383481 -2.01477504
H 3.93906810 3.26002994 0.84477345
P -3.25822351 0.74493971 0.33885576
P 1.33153621 3.04503770 -0.08049446
P 1.97443194 -3.60133998 -0.21281465
C -3.76596152 1.92464185 -0.94697811
C -3.50996319 3.27959526 -0.78574405
C -4.48103350 1.47712866 -2.05308219
C -3.96173547 4.18347506 -1.73041450
H -2.95749610 3.61218932 0.08080874
C -4.93530539 2.38590025 -2.98979321
H -4.66297046 0.41926200 -2.17961046
C -4.67682903 3.73850598 -2.82968505
H -3.75844845 5.23783830 -1.60910191
H -5.48993114 2.04053157 -3.85025188
H -5.03020437 4.44536247 -3.56598949
C -4.75419459 0.59364141 1.36308757
C -4.67619051 -0.29869816 2.42991261
C -5.91738967 1.32263135 1.15344318
C -5.75469231 -0.46064619 3.27660466
H -3.76232804 -0.85976799 2.57665249
C -6.99594149 1.15570768 2.00603481
H -5.98135692 2.01716037 0.32671562
C -6.91630679 0.26782852 3.06524097
H -5.69403315 -1.15317656 4.10301346
H -7.90093851 1.72251765 1.84158421
H -7.76020322 0.14274964 3.72749642
C 0.69551375 4.11716480 1.24238637
C -0.48855956 4.81762299 1.04952253
C 1.41759214 4.28650462 2.41856888
C -0.94517080 5.68610839 2.02425754
H -1.04168391 4.67977326 0.13185402
C 0.96174878 5.16411585 3.38466201
H 2.32543203 3.72183674 2.57488716
C -0.21762736 5.86494219 3.18894307
H -1.86857261 6.22705552 1.87467816
H 1.52471098 5.29965363 4.29663917
H -0.57238166 6.54716204 3.94749791
C 2.42064790 4.13483039 -1.04479151
C 3.07980031 3.53158189 -2.11352477
C 2.62831156 5.47934962 -0.76913465
C 3.94214246 4.27008157 -2.89880595
H 2.90699205 2.48082627 -2.30846425
C 3.49527333 6.21465487 -1.56060042
H 2.11760310 5.94766795 0.06169491
C 4.15104053 5.61335447 -2.62141057
H 4.45523520 3.80209892 -3.72584163
H 3.66024943 7.26048490 -1.34574590
H 4.82782984 6.19138509 -3.23310973
C 3.75454677 -3.60071676 0.20272654
C 4.62747550 -2.73964701 -0.45490031
C 4.24254336 -4.44506355 1.19564568
C 5.97223974 -2.73710524 -0.13327379
H 4.24749914 -2.06701172 -1.20978211
C 5.58798342 -4.43634934 1.51486631
H 3.57096411 -5.11156529 1.71734466
C 6.45579787 -3.58553062 0.84911421
H 6.64325785 -2.06549821 -0.64841370
H 5.96117891 -5.09541904 2.28519248
H 7.50648313 -3.58141945 1.09966203
C 1.66731139 -5.33016022 -0.69303046
C 0.36134156 -5.81138061 -0.66959878
C 2.69479148 -6.15456383 -1.14147826
C 0.08959164 -7.09981349 -1.08995902
H -0.43309242 -5.17500851 -0.30646848
C 2.41645934 -7.44318707 -1.56123620
H 3.71433704 -5.79238612 -1.15376756
C 1.11521776 -7.91679777 -1.53875520
H -0.92496968 -7.46965113 -1.06641163
H 3.21874202 -8.07881100 -1.90696755
H 0.90173882 -8.92313621 -1.86747949
130
conf 85  E=-192.86410250 Eh  dE=0.521 kcal/mol  pop=0.53%
Ir 0.21244005 -0.32781172 0.00088377
C -0.77271963 0.99759203 1.30116226
C -0.12425187 1.47882599 2.46531255
C -2.08497162 1.49556034 1.17833546
C -0.70568335 2.32541887 3.38469970
H 0.86914233 1.11487332 2.69083131
C -2.68781741 2.37981434 2.08467121
C -1.99478359 2.80752184 3.19173276
H -0.15677133 2.61528657 4.27131741
H -2.45090555 3.47829280 3.90608395
C -1.51851810 -1.24302826 -0.73306068
C -2.82570847 -0.72517091 -0.76290676
C -1.43205829 -2.51702475 -1.32985989
C -3.93109172 -1.39510928 -1.30649266
C -2.49275443 -3.19076612 -1.89321003
H -0.45966346 -2.99387874 -1.37363213
C -3.76723539 -2.63354640 -1.88007588
H -2.33674444 -4.16054304 -2.34886946
H -4.60773609 -3.15926340 -2.31099126
C 0.08886703 -1.82378615 1.53519229
C -0.71047034 -1.60921618 2.68298700
C 0.68494290 -3.09963441 1.56310431
C -0.82496304 -2.48397716 3.74234679
H -1.27933149 -0.69502532 2.75977755
C 0.59500552 -4.00865732 2.62840960
C -0.14469863 -3.69493415 3.74195948
H -1.44923811 -2.22118724 4.58720199
H -0.20931718 -4.37627021 4.57866230
C 1.52827135 -1.40104521 -1.30313033
C 2.09361844 -2.68196295 -1.13192208
C 2.11473385 -0.71649779 -2.39307772
C 3.10889729 -3.22365686 -1.93396313
C 3.10120316 -1.22986584 -3.20721478
H 1.77205232 0.28311631 -2.62070810
C 3.61827512 -2.49950410 -2.98337512
H 3.48631062 -0.63446959 -4.02566553
H 4.40261308 -2.90374353 -3.60801733
C -0.05389382 1.15563840 -1.45640985
C -0.75517329 0.90111867 -2.65908460
C 0.30615047 2.51186838 -1.32484341
C -1.08874813 1.87109877 -3.57962595
H -1.01016212 -0.12202384 -2.90126135
C -0.05383021 3.52208459 -2.22774642
C -0.77502012 3.20714201 -3.35390815
H -1.59875402 1.59358692 -4.49329457
H -1.06194119 3.97317644 -4.06056985
C 2.05631070 0.40242107 0.67750536
C 2.53101807 1.72301076 0.57319992
C 2.99936768 -0.46850510 1.26025515
C 3.80737443 2.13804998 0.97789175
C 4.25451958 -0.08664426 1.67988132
H 2.71556519 -1.50617089 1.40330317
C 4.67809668 1.23000162 1.53187939
H 4.92201813 -0.81220999 2.12868051
H 5.66695760 1.53358685 1.84584229
H -3.71275493 2.70154252 1.92914110
H -4.91579890 -0.94064879 -1.26746835
H 1.11103285 -4.96069674 2.57183770
H 3.51234737 -4.20600670 -1.71188014
H 0.25541983 4.54681169 -2.04783496
H 4.11347709 3.17020147 0.84268099
P -3.19669271 0.88726182 -0.08731441
P 1.49229431 3.02234879 -0.08478569
P 1.53845524 -3.79893016 0.15371869
C -3.53779332 2.12903760 -1.37066028
C -3.40184894 3.47971450 -1.07421525
C -3.99283027 1.73752519 -2.62471851
C -3.72384640 4.43240895 -2.02370735
H -3.04957008 3.77593837 -0.09682251
C -4.32461355 2.69465638 -3.56572984
H -4.07480374 0.68596201 -2.85890451
C -4.19165366 4.04117593 -3.26711783
H -3.61368766 5.48225401 -1.79264730
H -4.68390810 2.39068680 -4.53802750
H -4.44887410 4.78614379 -4.00570421
C -4.79428160 0.66817282 0.75035840
C -4.81489510 -0.28446727 1.76649723
C -5.94959312 1.36709039 0.42819135
C -5.98568012 -0.53537027 2.45368605
H -3.90405894 -0.82159169 1.99856445
C -7.12099048 1.11020879 1.12124232
H -5.93356962 2.10575556 -0.36208242
C -7.14052294 0.16220629 2.13015275
H -6.00308799 -1.27571044 3.23971984
H -8.02159770 1.65144249 0.87007335
H -8.05770182 -0.03561390 2.66490873
C 0.79335542 4.09900644 1.20094860
C -0.43018142 4.72111936 0.99326756
C 1.51990093 4.35756301 2.35874123
C -0.92856932 5.59490075 1.94266569
H -0.98044157 4.51074034 0.08794100
C 1.01948150 5.23677347 3.30012063
H 2.46456760 3.85775072 2.52002813
C -0.20343761 5.85618213 3.09319613
H -1.88354999 6.07558324 1.78553585
H 1.58172823 5.43954522 4.20012645
H -0.59276299 6.54004310 3.83308276
C 2.61426284 4.13383771 -0.98701086
C 3.33736236 3.55730560 -2.02874343
C 2.74467423 5.49046966 -0.72071038
C 4.18487969 4.33295017 -2.79451825
H 3.22400905 2.49817327 -2.22071645
C 3.59678591 6.26312947 -1.49198294
H 2.18330803 5.94147951 0.08641669
C 4.31433267 5.68806008 -2.52693243
H 4.74509041 3.88576383 -3.60226077
H 3.69811784 7.31848827 -1.28393860
H 4.97509891 6.29623153 -3.12685893
C 2.98509142 -4.72133981 0.76177172
C 2.90629867 -6.07659000 1.06728694
C 4.17102683 -4.03174768 0.99714177
C 4.00055352 -6.73048497 1.60513434
H 1.99095797 -6.62189712 0.87866070
C 5.26120105 -4.69065944 1.53367662
H 4.23452334 -2.98318417 0.74354383
C 5.17692508 -6.03922854 1.84238483
H 3.93305036 -7.78260838 1.84116558
H 6.18013782 -4.15199040 1.71264401
H 6.02812019 -6.55223398 2.26502597
C 0.46727089 -5.12021988 -0.51522855
C 0.89841381 -5.86987929 -1.60572874
C -0.78295452 -5.37165206 0.04011971
C 0.09421005 -6.86891522 -2.12231245
H 1.86180175 -5.66810275 -2.05135239
C -1.58169485 -6.37402385 -0.47921411
H -1.13058150 -4.77338420 0.86953170
C -1.14494451 -7.12584246 -1.55752835
H 0.43395026 -7.44816352 -2.96851823
H -2.55189494 -6.56350960 -0.04382401
H -1.77163290 -7.90679540 -1.96265677
130
conf 86  E=-192.86410250 Eh  dE=0.521 kcal/mol  pop=0.53%
Ir -0.39193944 0.11279657 0.01869317
C -1.81182924 0.91497718 1.40507021
C -1.33945605 1.63316078 2.52810341
C -3.21486077 0.99924297 1.28975656
C -2.13921302 2.30743772 3.42558034
H -0.27511154 1.66049194 2.71445807
C -4.05191161 1.69019596 2.17813610
C -3.51782659 2.34517247 3.26016865
H -1.68906083 2.82190795 4.26539330
H -4.15135396 2.88116948 3.95306691
C -1.79739704 -0.42174778 -1.51296820
C -3.19779968 -0.27136130 -1.50547251
C -1.35660209 -1.02989282 -2.71206528
C -4.04762132 -0.57629254 -2.57955526
C -2.16543449 -1.34413935 -3.78342996
H -0.30978352 -1.26915226 -2.82215183
C -3.53062055 -1.09205062 -3.74247193
H -1.72972998 -1.78885049 -4.66936836
H -4.16846915 -1.31318933 -4.58668972
C -0.65787845 -1.85683960 0.67321878
C -1.87726082 -2.23358411 1.27121374
C 0.27179140 -2.91177925 0.64480345
C -2.14420429 -3.48236644 1.78669314
H -2.65562962 -1.48443174 1.35754272
C 0.02322038 -4.20086819 1.13723262
C -1.18875529 -4.49077843 1.71752412
H -3.10316725 -3.68311970 2.24770940
H -1.39241963 -5.47712121 2.11014704
C 1.15701844 -0.31669512 -1.33494159
C 2.07337763 -1.38506815 -1.26918175
C 1.36667550 0.49935980 -2.47402084
C 3.09202891 -1.61707687 -2.20485342
C 2.33972056 0.27252770 -3.42370085
H 0.68253932 1.31755474 -2.65536770
C 3.23495652 -0.78166032 -3.28670508
H 2.40632659 0.91748616 -4.29029476
H 4.00544658 -0.95688539 -4.02421314
C -0.34306227 2.12279360 -0.57364697
C -1.49889175 2.74391622 -1.08930165
C 0.74799188 3.00622867 -0.47718132
C -1.56976708 4.06813077 -1.46182798
H -2.39062558 2.13895128 -1.21762203
C 0.70207539 4.36110314 -0.83430886
C -0.46217607 4.89901835 -1.32898494
H -2.49234954 4.47135712 -1.86130963
H -0.51405416 5.94226527 -1.60746047
C 1.13572210 0.30210676 1.44173735
C 2.28545530 1.10738981 1.31211520
C 1.16699996 -0.49343449 2.61177124
C 3.37987438 1.07822943 2.18769720
C 2.21561726 -0.51264944 3.50610793
H 0.29885739 -1.09300343 2.85142037
C 3.35780342 0.24864725 3.28274121
H 2.15245445 -1.12447657 4.39691797
H 4.19284760 0.21324367 3.96824568
H -5.12107937 1.72997685 1.99911892
H -5.11444970 -0.40423551 -2.49064222
H 0.78250541 -4.97154883 1.05279585
H 3.74752281 -2.47491470 -2.09198306
H 1.57869540 4.98810914 -0.70912844
H 4.23290976 1.72619172 2.01260200
P -4.11081318 0.19628290 -0.03858741
P 2.33738813 2.44052546 0.11781351
P 1.90257466 -2.68669513 -0.05061530
C -5.47254070 1.29947628 -0.53059568
C -5.22262014 2.66408258 -0.64431961
C -6.72939865 0.80146786 -0.86013072
C -6.21836600 3.51692204 -1.08225783
H -4.25022573 3.05029278 -0.37335620
C -7.72180383 1.65999411 -1.29868827
H -6.93444095 -0.25684264 -0.76674372
C -7.46794413 3.01668256 -1.41289218
H -6.02087526 4.57554743 -1.16562996
H -8.69576178 1.26752969 -1.55297734
H -8.24479371 3.68356245 -1.75668511
C -4.98665820 -1.30476451 0.52836147
C -4.77057972 -2.52673610 -0.10055999
C -5.86088852 -1.23368559 1.60893345
C -5.43678157 -3.65732882 0.33524160
H -4.07269141 -2.58929322 -0.92257218
C -6.52206989 -2.36828317 2.04210112
H -6.02358298 -0.29093858 2.11119922
C -6.31523062 -3.58069120 1.40356763
H -5.26396043 -4.60263369 -0.15804679
H -7.20078245 -2.30712085 2.88039075
H -6.83398965 -4.46528507 1.74285155
C 3.02693302 3.84124212 1.05162712
C 2.27132136 4.28326689 2.13516617
C 4.24215658 4.44730920 0.76127477
C 2.72798551 5.32484362 2.91805931
H 1.32599126 3.79997107 2.34544864
C 4.69450030 5.49218697 1.54967506
H 4.83244703 4.10554514 -0.07819614
C 3.94135606 5.93042100 2.62550462
H 2.14165225 5.66745897 3.75773634
H 5.63938082 5.96421770 1.32225193
H 4.29990977 6.74486501 3.23748863
C 3.55608743 2.19560647 -1.20760893
C 4.56781885 1.25765486 -1.05315010
C 3.52010009 3.00210927 -2.34051874
C 5.53719163 1.12217245 -2.03054148
H 4.58313743 0.64130211 -0.16633149
C 4.49561195 2.86667731 -3.30994862
H 2.72084348 3.71963499 -2.46111832
C 5.50437908 1.92820663 -3.15613243
H 6.32172263 0.38813612 -1.91459718
H 4.46999692 3.49202896 -4.19060860
H 6.26288890 1.82293295 -3.91788912
C 3.21043420 -2.64339869 1.21150125
C 4.42315931 -2.02930731 0.92412811
C 3.02496362 -3.27028977 2.43864196
C 5.44491326 -2.04513846 1.85607938
H 4.55907604 -1.54669612 -0.03281087
C 4.05413997 -3.29336500 3.36161693
H 2.07254154 -3.72610274 2.66772735
C 5.26360020 -2.68213161 3.07238671
H 6.38565800 -1.56252792 1.63300921
H 3.91209954 -3.78467325 4.31317066
H 6.06382051 -2.69832520 3.79770366
C 2.21607343 -4.22803663 -0.96076708
C 3.26146124 -5.10031522 -0.69072395
C 1.30916556 -4.51837743 -1.97753359
C 3.39516875 -6.25999728 -1.43641153
H 3.96469961 -4.87564105 0.10011355
C 1.44847730 -5.67540043 -2.71741708
H 0.49853010 -3.82661196 -2.16810443
C 2.49239304 -6.54803776 -2.44581979
H 4.20655836 -6.94151536 -1.22592372
H 0.74419126 -5.90208702 -3.50406785
H 2.60062212 -7.45513429 -3.02182134
130
conf 87  E=-192.86407337 Eh  dE=0.539 kcal/mol  pop=0.51%
Ir 0.28595320 -0.28307178 0.00602476
C -0.71029227 0.96103236 1.37655143
C -0.02043398 1.50362165 2.48883855
C -2.06636566 1.34286473 1.35345187
C -0.60260194 2.30103684 3.45080757
H 1.01509350 1.22886128 2.63824356
C -2.67380878 2.17649129 2.30367631
C -1.93965106 2.66805462 3.35638294
H -0.01575026 2.64214571 4.29376864
H -2.39765780 3.30001442 4.10413673
C -1.41202259 -1.34538508 -0.59709372
C -2.75748001 -0.94139778 -0.52973553
C -1.26192887 -2.61076237 -1.19919168
C -3.83853290 -1.70592836 -0.99126617
C -2.29936012 -3.37590353 -1.68350445
H -0.25836335 -3.00292097 -1.31570659
C -3.61227454 -2.92900128 -1.57667857
H -2.09465773 -4.33116242 -2.15040299
H -4.43402902 -3.52652621 -1.94572580
C 0.40707215 -1.77671266 1.54382391
C -0.30819550 -1.61916748 2.75453717
C 1.10488458 -3.00018374 1.52250101
C -0.26155317 -2.49184698 3.82082843
H -0.94183494 -0.75415042 2.87787837
C 1.17954971 -3.90478226 2.59283222
C 0.51335041 -3.64304003 3.76475020
H -0.83248911 -2.27410647 4.71478294
H 0.57537195 -4.32034169 4.60489087
C 1.58484037 -1.25143970 -1.39470190
C 2.25677472 -2.48590691 -1.27401167
C 2.03410949 -0.52420892 -2.52141038
C 3.24618121 -2.94947613 -2.15363354
C 2.99195983 -0.96160071 -3.41081587
H 1.60097965 0.44683833 -2.71646235
C 3.61839580 -2.18873098 -3.23439978
H 3.26810394 -0.33873355 -4.25248167
H 4.38123217 -2.53267286 -3.91897012
C -0.20889078 1.16589307 -1.42563331
C -0.97207077 0.84709314 -2.57391729
C 0.04546838 2.54827054 -1.32001490
C -1.45085918 1.78056036 -3.46774951
H -1.15964301 -0.19499106 -2.79607471
C -0.46159845 3.51963398 -2.19445413
C -1.23337990 3.13927829 -3.26555148
H -2.00143060 1.45617119 -4.34153764
H -1.63308935 3.87459460 -3.94967083
C 2.10775522 0.60320735 0.54265937
C 2.45915028 1.95950712 0.40988193
C 3.16321234 -0.18342124 1.04755526
C 3.72186079 2.48267938 0.72134413
C 4.40901293 0.30486441 1.37447701
H 2.98144389 -1.24176688 1.20414401
C 4.70590087 1.65302806 1.20397114
H 5.16806103 -0.36081533 1.76703798
H 5.68563619 2.04067720 1.44569844
H -3.73143136 2.40786912 2.22566009
H -4.85284393 -1.33664175 -0.87937259
H 1.76486002 -4.81226988 2.49392034
H 3.73766324 -3.89891452 -1.96851463
H -0.22655530 4.56756584 -2.03732069
H 3.92770193 3.53722860 0.57000148
P -3.21301870 0.63735299 0.17226535
P 1.26876589 3.16408410 -0.16682689
P 1.88873360 -3.63956460 0.04590431
C -3.74587333 1.83901114 -1.08352886
C -3.70035584 3.19780488 -0.79684030
C -4.25370589 1.40482098 -2.30263976
C -4.16377579 4.11600586 -1.72138028
H -3.30650692 3.52631610 0.15397139
C -4.72668288 2.32682933 -3.21809361
H -4.26571449 0.34879529 -2.53089878
C -4.68298067 3.68123310 -2.92940652
H -4.12370967 5.17253836 -1.49846660
H -5.12583880 1.98946667 -4.16344173
H -5.05006050 4.39881451 -3.64840747
C -4.72304070 0.29217690 1.12232798
C -5.95445838 0.88386306 0.87677481
C -4.59011858 -0.64540439 2.14395676
C -7.04805568 0.53594404 1.65227655
H -6.05789435 1.61051877 0.08201954
C -5.68391880 -0.98720785 2.91368176
H -3.62196077 -1.09814943 2.31544067
C -6.91474273 -0.39625524 2.66723642
H -8.00773928 0.99387719 1.46121627
H -5.58200506 -1.71487079 3.70506124
H -7.77163360 -0.66464978 3.26728594
C 0.57364401 4.18266631 1.16764689
C -0.70936297 4.69903797 1.04762473
C 1.35633840 4.50821193 2.27067133
C -1.21092702 5.53321614 2.03042169
H -1.30257349 4.43871938 0.18333073
C 0.85182208 5.34771365 3.24552435
H 2.34893621 4.09069646 2.36385790
C -0.43055827 5.86093434 3.12651849
H -2.21160431 5.93134101 1.94163534
H 1.45756112 5.60237360 4.10314100
H -0.82255980 6.51395428 3.89240265
C 2.22429475 4.36690722 -1.14129311
C 2.92234671 3.85360374 -2.23204189
C 2.25461808 5.73034557 -0.87910212
C 3.64634354 4.69832543 -3.04975890
H 2.88830446 2.78834497 -2.42040664
C 2.98287649 6.57252628 -1.70268946
H 1.71210232 6.13296735 -0.03441749
C 3.67640651 6.05994976 -2.78570575
H 4.18772338 4.29988504 -3.89497167
H 3.00636531 7.63304538 -1.49751196
H 4.24093940 6.72186188 -3.42569087
C 3.44428120 -4.45059360 0.53173893
C 4.58825095 -3.67218222 0.68244512
C 3.49421862 -5.80970568 0.82556858
C 5.76525201 -4.24806597 1.12239118
H 4.54987214 -2.61993254 0.43893807
C 4.67490268 -6.38019455 1.26708677
H 2.61103168 -6.42273969 0.70357296
C 5.80989044 -5.60130399 1.41886681
H 6.65142701 -3.64100699 1.23518079
H 4.70753061 -7.43580560 1.49471520
H 6.72917063 -6.04960853 1.76576114
C 0.86876808 -5.04047560 -0.53761998
C -0.29096327 -5.40457901 0.13852283
C 1.24598950 -5.73891179 -1.68072666
C -1.05097667 -6.46765452 -0.31373653
H -0.60046589 -4.84633113 1.00984232
C 0.48010723 -6.79897180 -2.12995941
H 2.13579101 -5.44902636 -2.22078142
C -0.66647578 -7.16849585 -1.44499994
H -1.95061607 -6.74465907 0.21598484
H 0.77724903 -7.33800885 -3.01776769
H -1.26317527 -7.99700294 -1.79753142
130
conf 88  E=-192.86406897 Eh  dE=0.542 kcal/mol  pop=0.51%
Ir -0.36549310 0.08249709 0.03025393
C -1.75206662 0.92798051 1.41893971
C -1.26840705 1.65837386 2.52931213
C -3.15999545 0.94040813 1.36870411
C -2.06004108 2.23933480 3.49648511
H -0.20079189 1.77195681 2.64966995
C -3.99115974 1.52325922 2.33628156
C -3.44494768 2.16225732 3.42144391
H -1.59851658 2.76326794 4.32402225
H -4.07386932 2.60626232 4.18027412
C -1.80459174 -0.55618605 -1.41966098
C -3.19435439 -0.33048143 -1.43448357
C -1.39310821 -1.28499255 -2.56018094
C -4.05103204 -0.65085744 -2.49731799
C -2.21102519 -1.62291160 -3.61734206
H -0.36351630 -1.60313157 -2.63153995
C -3.55532932 -1.27265502 -3.61677262
H -1.79924611 -2.16179476 -4.46134841
H -4.19634454 -1.50459185 -4.45561217
C -0.60668404 -1.83835776 0.82994532
C -1.83770475 -2.21193156 1.40645461
C 0.35203802 -2.86490628 0.90478502
C -2.08760784 -3.43043011 1.99764907
H -2.64577635 -1.48912164 1.40385546
C 0.12436065 -4.12171878 1.48332772
C -1.09912647 -4.40785215 2.04085499
H -3.06033321 -3.63172328 2.42901851
H -1.28774488 -5.36961670 2.49690620
C 1.15847727 -0.45228725 -1.30952432
C 2.11667171 -1.47123908 -1.13182582
C 1.32605575 0.23540018 -2.53581148
C 3.14217339 -1.76330493 -2.04234604
C 2.30161609 -0.06082088 -3.46388878
H 0.60916767 1.00204251 -2.79889160
C 3.24341311 -1.05188938 -3.21402718
H 2.33614777 0.48069171 -4.40041501
H 4.01879518 -1.27642606 -3.93290319
C -0.36036226 2.03792211 -0.72908182
C -1.54525069 2.60945973 -1.23540173
C 0.73169014 2.92287290 -0.78984528
C -1.64002600 3.88352315 -1.74989522
H -2.44762571 2.00631557 -1.23607389
C 0.66448993 4.22919144 -1.29485203
C -0.52511752 4.71450561 -1.78330512
H -2.58779476 4.24478815 -2.12957957
H -0.59188153 5.71852638 -2.17832806
C 1.20792560 0.41287519 1.37555322
C 2.32990674 1.23676645 1.14962482
C 1.28367277 -0.27127083 2.61222149
C 3.43095932 1.33230090 2.01228549
C 2.33608854 -0.15974549 3.49575014
H 0.44281666 -0.88084900 2.91603503
C 3.44433385 0.62141888 3.18821392
H 2.30244586 -0.68363866 4.44236322
H 4.28163353 0.69138638 3.86811624
H -5.06814438 1.48543798 2.21975336
H -5.10469447 -0.40577990 -2.43532435
H 0.90799928 -4.87215408 1.48171599
H 3.83744085 -2.57103027 -1.83647181
H 1.54578689 4.86201553 -1.28894710
H 4.26015048 1.98721141 1.76388167
P -4.09386467 0.24035698 0.00598725
P 2.34129862 2.43798804 -0.17966029
P 1.98615571 -2.64811204 0.21334430
C -5.32655791 1.49283075 -0.47210932
C -4.98611878 2.83965318 -0.37911404
C -6.57638654 1.13532781 -0.96980633
C -5.88250689 3.81184901 -0.78193258
H -4.02249059 3.11949162 0.02224311
C -7.46853627 2.11291656 -1.37266454
H -6.86121328 0.09311313 -1.02804187
C -7.12331511 3.45116262 -1.28228710
H -5.61308218 4.85483484 -0.70246148
H -8.43761173 1.82818999 -1.75610603
H -7.82322653 4.21139502 -1.59627534
C -5.11306694 -1.18479414 0.52291856
C -4.76046944 -2.46225082 0.09601319
C -6.21587257 -1.02387427 1.35663792
C -5.50260689 -3.55832662 0.49443666
H -3.90163756 -2.59236894 -0.54634071
C -6.95428102 -2.12412133 1.75289335
H -6.51015121 -0.03751019 1.68653594
C -6.59990293 -3.39273625 1.32348721
H -5.22114702 -4.54491075 0.15670740
H -7.81118549 -1.99063881 2.39708187
H -7.17984585 -4.24954797 1.63357807
C 3.01460906 3.94427637 0.58815612
C 2.26374618 4.48354441 1.63016686
C 4.20375355 4.55062367 0.20541367
C 2.69889132 5.62125123 2.28005488
H 1.33831964 3.99873350 1.91331599
C 4.63490012 5.69209657 0.86072094
H 4.79007340 4.13453391 -0.60268786
C 3.88614257 6.22704745 1.89495583
H 2.11542106 6.03957486 3.08675866
H 5.55917410 6.16445873 0.56079787
H 4.22725225 7.11755171 2.40190332
C 3.54359612 2.08559536 -1.49639671
C 4.60092126 1.21857029 -1.25695077
C 3.45032154 2.74988839 -2.71507109
C 5.55858000 1.01192560 -2.23366373
H 4.66319663 0.71422493 -0.30375645
C 4.41494207 2.54611431 -3.68331801
H 2.61541340 3.41037784 -2.90176291
C 5.46910643 1.67816883 -3.44422485
H 6.37822120 0.33199531 -2.05053246
H 4.34513651 3.06251182 -4.62982680
H 6.21897077 1.51865139 -4.20511031
C 3.28559343 -2.46383836 1.47123275
C 4.47792354 -1.83210392 1.14290443
C 3.12104787 -3.02319453 2.73373608
C 5.50111124 -1.76103984 2.07111048
H 4.59623214 -1.40525344 0.15763291
C 4.15088789 -2.95839776 3.65351580
H 2.18349703 -3.49425725 2.99195628
C 5.34090215 -2.32896215 3.32381488
H 6.42680911 -1.26523880 1.81632341
H 4.02566639 -3.39632586 4.63318361
H 6.14240473 -2.27765307 4.04611023
C 2.36494001 -4.25886605 -0.54188094
C 1.48107510 -4.68449740 -1.53092259
C 3.44191860 -5.05793593 -0.18310493
C 1.67318033 -5.90190371 -2.15280855
H 0.64523382 -4.04877206 -1.79363717
C 3.62906647 -6.27867798 -0.81030224
H 4.12927542 -4.72998056 0.58511420
C 2.74807379 -6.70110619 -1.79114648
H 0.98615389 -6.23266330 -2.91744610
H 4.46520992 -6.90238180 -0.52912465
H 2.89755563 -7.65534857 -2.27421726
130
conf 89  E=-192.86404067 Eh  dE=0.560 kcal/mol  pop=0.49%
Ir -0.36863080 -0.03695090 -0.02096288
C -1.67129568 0.60263816 1.56154568
C -1.13890911 1.09621583 2.77598038
C -3.07955597 0.63624515 1.57444102
C -1.88507867 1.46840899 3.87388691
H -0.06848053 1.19287442 2.87598246
C -3.86757637 1.00317735 2.67619825
C -3.27193253 1.39832984 3.84873288
H -1.38267594 1.81504865 4.76826906
H -3.86395831 1.66425748 4.71320652
C -1.90373107 -0.61950107 -1.39610380
C -3.30427366 -0.53686580 -1.25069802
C -1.54434527 -1.36744619 -2.54130387
C -4.23668037 -1.10876130 -2.12877693
C -2.43787432 -1.92753857 -3.42890560
H -0.49490500 -1.51639771 -2.75348271
C -3.80729510 -1.80517319 -3.23150562
H -2.07037866 -2.47774623 -4.28615717
H -4.51484443 -2.25155814 -3.91629445
C -0.54582113 -2.06013145 0.49411868
C -1.75604920 -2.56194827 1.01470849
C 0.43167368 -3.06028108 0.33729342
C -1.97524927 -3.88294175 1.33747856
H -2.56682304 -1.86182645 1.18760869
C 0.23363520 -4.41365763 0.64451479
C -0.97606437 -4.83141564 1.14614389
H -2.93108231 -4.19197106 1.74278447
H -1.14488439 -5.87191990 1.38574145
C 1.09129385 -0.35013832 -1.49146306
C 2.14270189 -1.28633802 -1.42062000
C 1.18554747 0.47751918 -2.63538177
C 3.21227988 -1.35110061 -2.32456846
C 2.20780984 0.40868803 -3.55718506
H 0.38711231 1.18113116 -2.83035278
C 3.25984172 -0.48562809 -3.39049924
H 2.19423642 1.05486868 -4.42561465
H 4.07687628 -0.52136786 -4.09739150
C -0.40827377 1.97463284 -0.59746029
C -1.58299608 2.51285089 -1.15988878
C 0.63866214 2.91245447 -0.54914239
C -1.70991419 3.80263147 -1.62516060
H -2.44316160 1.86170748 -1.26014970
C 0.53643025 4.23867542 -0.99285635
C -0.64168282 4.68936410 -1.53929950
H -2.64537933 4.13091964 -2.06045205
H -0.73419189 5.70629287 -1.89397377
C 1.24713188 0.15235484 1.31130102
C 2.27644014 1.11395862 1.27330393
C 1.38176961 -0.73188719 2.41022142
C 3.32731213 1.19076434 2.19881557
C 2.38819548 -0.65729026 3.34929680
H 0.61392133 -1.47691667 2.57048694
C 3.39228967 0.29735187 3.24113933
H 2.39578215 -1.34479610 4.18517624
H 4.18764195 0.35408639 3.97081301
H -4.94906833 0.97372451 2.60098174
H -5.29908962 -1.02347807 -1.92571058
H 1.02782753 -5.13329796 0.47519718
H 3.98910301 -2.09787409 -2.19425944
H 1.38316058 4.91074725 -0.89760949
H 4.07187186 1.97572312 2.11082218
P -4.06538062 0.34714622 0.10897539
P 2.24135189 2.47231067 0.10652491
P 2.06438907 -2.66054135 -0.27525449
C -4.73530714 1.96734759 -0.41010523
C -4.42055786 3.12357250 0.29623827
C -5.55213847 2.04940954 -1.53397668
C -4.93492528 4.34240801 -0.10646212
H -3.76403335 3.06605720 1.15198544
C -6.06094566 3.27150081 -1.93350364
H -5.78464740 1.15755936 -2.09791385
C -5.75781012 4.41904235 -1.21807487
H -4.68597919 5.23627991 0.44648616
H -6.69479879 3.33003358 -2.80637314
H -6.15690861 5.37247235 -1.53197804
C -5.55997173 -0.57027070 0.59657128
C -5.48669770 -1.95541823 0.71272595
C -6.74394565 0.08502791 0.92006483
C -6.58483388 -2.67339801 1.14745875
H -4.57018091 -2.46264255 0.44662717
C -7.83987923 -0.63909678 1.35471347
H -6.81008379 1.16098103 0.82656919
C -7.76172129 -2.01689329 1.47170786
H -6.52438283 -3.74836084 1.23385232
H -8.75686918 -0.12507172 1.60398464
H -8.61876293 -2.57851320 1.81294041
C 2.75632363 3.93175550 1.05874309
C 1.91302534 4.29519818 2.10624993
C 3.89527238 4.67883302 0.79098947
C 2.20938550 5.39988080 2.87931522
H 1.02755373 3.70156820 2.29477142
C 4.18645206 5.78642534 1.57003753
H 4.54880894 4.39756302 -0.02393584
C 3.34720682 6.14699047 2.61049142
H 1.55519875 5.68350838 3.69036516
H 5.07116686 6.37031454 1.36149965
H 3.57849536 7.01288470 3.21298984
C 3.51207138 2.31553574 -1.18384104
C 4.65458882 1.56525676 -0.93444608
C 3.37592354 2.99016819 -2.39183653
C 5.65631321 1.49293553 -1.88525497
H 4.75301921 1.04699074 0.00832350
C 4.38642394 2.92470981 -3.33324880
H 2.47575758 3.55362976 -2.59079032
C 5.52607725 2.17764618 -3.08198433
H 6.54190047 0.90487160 -1.69142164
H 4.28415832 3.45360298 -4.26958732
H 6.31156770 2.12607334 -3.82157454
C 3.33147236 -2.60922651 1.02631599
C 4.43911099 -1.78489769 0.88277808
C 3.22850788 -3.45386581 2.12695068
C 5.43744592 -1.79957572 1.84022964
H 4.50568118 -1.13789722 0.02044010
C 4.23260517 -3.46879908 3.07617413
H 2.35612581 -4.08206625 2.23887513
C 5.33704740 -2.64281945 2.93406570
H 6.29750419 -1.15409727 1.73325093
H 4.15498766 -4.12359200 3.93203478
H 6.11786808 -2.65454896 3.68029711
C 2.56758345 -4.09423755 -1.27561366
C 1.73711131 -4.41202220 -2.34793460
C 3.71902165 -4.83625048 -1.04769229
C 2.05625011 -5.46518957 -3.18167963
H 0.84297194 -3.82381467 -2.50908270
C 4.03359133 -5.89190069 -1.88717248
H 4.36715524 -4.59145666 -0.21705127
C 3.20644748 -6.20615415 -2.95188455
H 1.41188507 -5.71156114 -4.01254558
H 4.92914293 -6.46927642 -1.70836839
H 3.45777798 -7.02925361 -3.60437161
130
conf 90  E=-192.86402953 Eh  dE=0.567 kcal/mol  pop=0.49%
Ir 0.21908157 -0.28923514 0.03084999
C -0.85915973 0.91215438 1.36844128
C -0.25571497 1.41763179 2.54554060
C -2.18723588 1.35953534 1.21474971
C -0.88445287 2.25558410 3.44166535
H 0.74253500 1.08446873 2.79647304
C -2.83492676 2.23970083 2.09338539
C -2.17962451 2.70344661 3.20877376
H -0.36842246 2.56750870 4.34053954
H -2.66920109 3.37487052 3.89996610
C -1.44242567 -1.34191706 -0.65933999
C -2.79037803 -0.94093223 -0.66159246
C -1.26084547 -2.62828727 -1.20231482
C -3.84782161 -1.73034389 -1.13472152
C -2.27407255 -3.42257175 -1.68908898
H -0.24798108 -3.01240499 -1.25706356
C -3.59204389 -2.97753061 -1.65385709
H -2.04768059 -4.39842626 -2.10011723
H -4.39658030 -3.59673952 -2.02497583
C 0.25952651 -1.86855214 1.48851200
C -0.53278678 -1.77582875 2.65680139
C 0.92354324 -3.10981431 1.41818060
C -0.61436114 -2.74412131 3.63503072
H -1.12437168 -0.88621167 2.81525574
C 0.87831339 -4.10498928 2.40771701
C 0.11221750 -3.92353860 3.53286123
H -1.24571711 -2.57972238 4.49928712
H 0.07294961 -4.67662543 4.30760096
C 1.63103969 -1.16336960 -1.33002267
C 2.39541496 -2.33634342 -1.15595458
C 2.13188730 -0.37698397 -2.39402842
C 3.54835347 -2.66256579 -1.88412897
C 3.24558068 -0.68456910 -3.14599754
H 1.61723506 0.53848602 -2.64942313
C 3.98708717 -1.82947527 -2.88441278
H 3.55661165 -0.01804116 -3.94107062
H 4.87948860 -2.06087394 -3.44919791
C -0.19639796 1.21070293 -1.36947509
C -0.89698318 0.92417673 -2.56546390
C 0.09667999 2.58292237 -1.23516483
C -1.26623395 1.87446527 -3.49325947
H -1.11529750 -0.10928040 -2.79986079
C -0.29761930 3.57110044 -2.14820696
C -0.99658262 3.22125999 -3.27855625
H -1.76864760 1.57220860 -4.40315496
H -1.30137422 3.97066249 -3.99544328
C 2.00092534 0.58224721 0.71391832
C 2.34054277 1.94648399 0.70285761
C 3.03061831 -0.22558670 1.23580490
C 3.55891481 2.46143921 1.16840585
C 4.23109122 0.24994107 1.71299124
H 2.86761159 -1.29710569 1.26125932
C 4.50790435 1.61290329 1.68646168
H 4.97077694 -0.43668498 2.10570627
H 5.44989143 1.99584661 2.05312052
H -3.86336191 2.53272419 1.90717249
H -4.86747950 -1.36317196 -1.08054342
H 1.46464660 -5.01149425 2.28917928
H 4.10445510 -3.56330069 -1.64671876
H -0.02807120 4.60829197 -1.97615748
H 3.76000655 3.52593255 1.10667576
P -3.26285561 0.66573689 -0.03864110
P 1.22297898 3.16931846 0.02920678
P 1.90034714 -3.60592610 0.00564484
C -3.68950980 1.84164306 -1.35712717
C -3.57352986 3.20675895 -1.13038920
C -4.19989571 1.37885691 -2.56527287
C -3.96732303 4.10506273 -2.10574345
H -3.17858309 3.55385619 -0.18682048
C -4.59999635 2.28144903 -3.53262834
H -4.26865454 0.31530813 -2.74396991
C -4.48565995 3.64377128 -3.30415441
H -3.87303471 5.16714797 -1.93042956
H -4.99966086 1.92337443 -4.47028145
H -4.79701149 4.34607904 -4.06342417
C -4.84495270 0.39169818 0.81371110
C -4.81518031 -0.51814381 1.86806551
C -6.03177771 1.03054017 0.48040909
C -5.96631499 -0.78565747 2.58193443
H -3.88076453 -1.00818875 2.10990218
C -7.18316911 0.75709556 1.19989813
H -6.05584317 1.73688839 -0.33853108
C -7.15188400 -0.14723755 2.24781327
H -5.94375967 -1.49140815 3.39901024
H -8.10735301 1.25267306 0.94012788
H -8.05292110 -0.35596666 2.80542498
C 0.42990932 4.20955371 1.29182409
C 1.08458649 4.46926302 2.49117680
C -0.79628578 4.80531283 1.02772579
C 0.51522564 5.32772174 3.41279849
H 2.02869279 3.98714039 2.70047752
C -1.36497565 5.65703232 1.95762076
H -1.29315836 4.59802628 0.09140114
C -0.70801396 5.92300150 3.14729859
H 1.02426460 5.53225177 4.34358003
H -2.32109395 6.11735430 1.75339088
H -1.15093607 6.59168272 3.87076342
C 2.30562987 4.33490732 -0.85261176
C 2.36795652 5.69666734 -0.58930650
C 3.09270523 3.78377492 -1.86126823
C 3.21694298 6.50080069 -1.33152158
H 1.75753432 6.12635401 0.19368224
C 3.93632977 4.59094110 -2.59809342
H 3.03324286 2.71938068 -2.04891924
C 3.99872292 5.95134265 -2.33335540
H 3.26723148 7.56024134 -1.12566079
H 4.54731442 4.16318395 -3.37908772
H 4.65854300 6.58370337 -2.90885489
C 3.39235038 -4.44288106 0.63887844
C 4.07021142 -3.87747582 1.71489585
C 3.87941331 -5.61107225 0.06155305
C 5.22382702 -4.46582368 2.19754961
H 3.68105199 -2.98329655 2.18022043
C 5.03488973 -6.19640943 0.54859246
H 3.35350986 -6.06667489 -0.76650203
C 5.71078608 -5.62413429 1.61316984
H 5.74408806 -4.02162482 3.03342193
H 5.40770115 -7.10321444 0.09480682
H 6.61281888 -6.08305302 1.98998798
C 1.05447697 -4.94989362 -0.90519763
C 0.08893466 -5.73738560 -0.28798496
C 1.38480875 -5.18620656 -2.23716167
C -0.51665217 -6.76560365 -0.98785614
H -0.20309747 -5.53127349 0.73100510
C 0.77516572 -6.21488770 -2.93141644
H 2.10758076 -4.55114367 -2.73110306
C -0.17016433 -7.01208804 -2.30604062
H -1.26661815 -7.37363825 -0.50314959
H 1.03603961 -6.39297797 -3.96462581
H -0.64447063 -7.81545235 -2.85040400
130
conf 91  E=-192.86402865 Eh  dE=0.567 kcal/mol  pop=0.49%
Ir -0.33835420 0.00050656 0.02943466
C -1.76368782 0.72077035 1.45542454
C -1.32784512 1.34082042 2.64861089
C -3.17041498 0.67834578 1.38317281
C -2.15860457 1.77040750 3.66237770
H -0.26852093 1.49102053 2.79756699
C -4.04071915 1.09202921 2.40272909
C -3.53648612 1.62493712 3.56385281
H -1.73209311 2.21982961 4.55033887
H -4.19277462 1.93411580 4.36527371
C -1.75874462 -0.79597922 -1.36941416
C -3.16657667 -0.75154108 -1.33430903
C -1.29608422 -1.63757793 -2.40922508
C -4.01168365 -1.43255127 -2.22449899
C -2.10053613 -2.29382216 -3.31483775
H -0.23309723 -1.78744164 -2.52425795
C -3.48346142 -2.19645476 -3.23480127
H -1.65042074 -2.90257490 -4.08917441
H -4.12457440 -2.71824541 -3.93125037
C -0.47725712 -1.94282365 0.81446284
C -1.67571440 -2.38991435 1.40895113
C 0.53619991 -2.91646542 0.85472921
C -1.84346781 -3.62598399 1.99309148
H -2.52315964 -1.71433324 1.42764917
C 0.39083862 -4.18945956 1.42503741
C -0.80123379 -4.54668826 2.00815377
H -2.79286303 -3.88630481 2.44477479
H -0.92626873 -5.52077363 2.45983185
C 1.17660774 -0.43728552 -1.35044944
C 2.18160327 -1.41635288 -1.21484225
C 1.26966266 0.26615302 -2.57522149
C 3.18670271 -1.65590645 -2.16234099
C 2.22421386 0.01963528 -3.53887973
H 0.51116854 1.00271235 -2.80547963
C 3.21703590 -0.93008040 -3.32942428
H 2.20226033 0.56848732 -4.47153882
H 3.97679560 -1.11429343 -4.07586556
C -0.43227938 1.95429637 -0.69913678
C -1.65193582 2.44685638 -1.20134632
C 0.59325043 2.91773091 -0.73286625
C -1.84451333 3.72583462 -1.67297345
H -2.49842533 1.76690002 -1.23511543
C 0.42659182 4.23183606 -1.19080781
C -0.79796680 4.64247719 -1.66232639
H -2.81430738 4.02430963 -2.05102419
H -0.94250830 5.65306266 -2.01766027
C 1.24445754 0.39503552 1.34921419
C 2.32446735 1.27038266 1.11001292
C 1.39290697 -0.31910607 2.56254600
C 3.45029533 1.38812182 1.93720925
C 2.46903853 -0.18636503 3.41404016
H 0.59029308 -0.97334539 2.87667180
C 3.53297895 0.64883674 3.09250725
H 2.48870942 -0.73576582 4.34647693
H 4.38952021 0.73584781 3.74594535
H -5.11277935 0.98759293 2.27263379
H -5.08756339 -1.38405459 -2.09944228
H 1.21297881 -4.89696513 1.39617179
H 3.92255630 -2.43470957 -1.98884737
H 1.25865140 4.92755850 -1.16293965
H 4.24383256 2.08190370 1.67818109
P -4.06372684 0.16425263 -0.08291825
P 2.24338102 2.50258566 -0.18762278
P 2.13702516 -2.61761188 0.11488794
C -4.91806141 1.63730804 -0.75387308
C -5.71261118 1.52480503 -1.89114874
C -4.77379991 2.87869876 -0.14200676
C -6.36456228 2.63413101 -2.39761508
H -5.82073760 0.57091061 -2.38500762
C -5.43362942 3.98347342 -0.64897814
H -4.13671637 2.97820539 0.72471959
C -6.23203945 3.86445167 -1.77469696
H -6.97873291 2.53771000 -3.28114157
H -5.31885510 4.94234388 -0.16494895
H -6.74538756 4.72875149 -2.16982221
C -5.44989034 -0.90954419 0.41463773
C -6.71971551 -0.40204953 0.66838607
C -5.21329829 -2.27387262 0.56188870
C -7.73856245 -1.25091808 1.06324336
H -6.91605220 0.65498109 0.54503738
C -6.23461281 -3.11642818 0.95637545
H -4.23101611 -2.67010213 0.34731729
C -7.49865990 -2.60701799 1.20790790
H -8.72427072 -0.85198628 1.25435002
H -6.04612357 -4.17478232 1.06203091
H -8.29757744 -3.26707642 1.51146721
C 2.90120336 4.01371936 0.58271822
C 2.19531932 4.49699162 1.68210314
C 4.04938322 4.66750784 0.15492642
C 2.63591083 5.62476934 2.34585275
H 1.30229834 3.97457986 2.00018517
C 4.48611685 5.79842490 0.82451277
H 4.60065972 4.29553202 -0.69799826
C 3.78360876 6.27617583 1.91764798
H 2.08879242 5.99872790 3.19851606
H 5.37952246 6.30622122 0.49088788
H 4.13057933 7.15699877 2.43746373
C 3.39377143 2.22665661 -1.56722416
C 4.50526300 1.41297978 -1.39528464
C 3.20590839 2.90583041 -2.76663966
C 5.42326693 1.27465445 -2.42094304
H 4.64070281 0.89664945 -0.45617469
C 4.13028939 2.76914861 -3.78466853
H 2.33005687 3.52533720 -2.89801112
C 5.23921445 1.95510097 -3.61292589
H 6.28624166 0.63764113 -2.29054030
H 3.98662671 3.29620547 -4.71678460
H 5.95830955 1.84878195 -4.41184281
C 3.47430632 -2.39673314 1.32640088
C 4.61798407 -1.69525781 0.96749308
C 3.38976776 -2.99043744 2.58116205
C 5.67327985 -1.59173457 1.85584143
H 4.67349866 -1.23946785 -0.01036750
C 4.45104887 -2.89126033 3.46140783
H 2.48915513 -3.51530458 2.86540759
C 5.59331647 -2.19441359 3.10007568
H 6.56117437 -1.04275960 1.57663563
H 4.38758341 -3.35518441 4.43503350
H 6.41974683 -2.11768836 3.79135131
C 2.54924267 -4.19999286 -0.68222669
C 1.63589878 -4.65414709 -1.63103420
C 3.68040316 -4.95102136 -0.39280986
C 1.85322684 -5.85206322 -2.28193803
H 0.75674916 -4.05793509 -1.83905609
C 3.89229644 -6.15251162 -1.04871004
H 4.39048108 -4.60098374 0.34447697
C 2.98235498 -6.60331500 -1.98972758
H 1.14310609 -6.20516366 -3.01495448
H 4.77056566 -6.73908401 -0.82108176
H 3.15144966 -7.54254725 -2.49540263
130
conf 92  E=-192.86400884 Eh  dE=0.580 kcal/mol  pop=0.48%
Ir 0.20771292 -0.30406455 0.04809203
C -0.91030370 0.93528652 1.31966942
C -0.34533245 1.46470729 2.50562405
C -2.22443344 1.39760083 1.10365714
C -0.99380231 2.33918070 3.35138199
H 0.63618191 1.12326503 2.80618552
C -2.89165310 2.31240463 1.93082265
C -2.27146334 2.80029808 3.05587379
H -0.50711761 2.66948888 4.26003837
H -2.77529156 3.50006329 3.70760040
C -1.43772075 -1.34900078 -0.69300600
C -2.78358694 -0.94338316 -0.73553151
C -1.24698191 -2.64131628 -1.21825430
C -3.83238502 -1.73707918 -1.22048891
C -2.25114815 -3.43999560 -1.71660569
H -0.23349564 -3.02621279 -1.24883786
C -3.56889127 -2.99326212 -1.71337859
H -2.01801028 -4.42074749 -2.11163133
H -4.36702604 -3.61713136 -2.09048302
C 0.16144242 -1.86569364 1.52357456
C -0.67395448 -1.74374399 2.65874265
C 0.79001860 -3.12679829 1.48348906
C -0.83219011 -2.70911131 3.63036561
H -1.23693202 -0.83190515 2.79417067
C 0.66907004 -4.11878203 2.46980994
C -0.14321274 -3.91313399 3.55772831
H -1.49433699 -2.52342573 4.46688296
H -0.24359621 -4.66500597 4.32815106
C 1.67522895 -1.20892855 -1.22966646
C 2.41294372 -2.39017708 -1.00588304
C 2.24497603 -0.43620381 -2.26910596
C 3.60050124 -2.73616538 -1.66634377
C 3.39496972 -0.76298467 -2.95517188
H 1.75641649 0.48321786 -2.55923668
C 4.10572117 -1.91546185 -2.64518804
H 3.75856655 -0.10608713 -3.73588592
H 5.02487735 -2.16239844 -3.15800674
C -0.12676216 1.17168914 -1.39892573
C -0.78781448 0.86926079 -2.61327305
C 0.19140547 2.53997546 -1.28774862
C -1.10381840 1.80346833 -3.57630696
H -1.01889320 -0.16501016 -2.83098468
C -0.14715755 3.51287759 -2.23881043
C -0.81340896 3.14942359 -3.38448992
H -1.58029280 1.48878693 -4.49585855
H -1.07695926 3.88688022 -4.12959413
C 1.96889839 0.55416401 0.79836653
C 2.33526408 1.91117005 0.76710139
C 2.95332895 -0.25698519 1.39710306
C 3.53792103 2.41723429 1.28093813
C 4.13578476 0.21090309 1.92446432
H 2.76777592 -1.32396013 1.44471430
C 4.44099498 1.56708109 1.87307982
H 4.83989308 -0.47659081 2.37656947
H 5.37000503 1.94295886 2.27828709
H -3.90786710 2.61392554 1.69699039
H -4.85169994 -1.36591064 -1.19601103
H 1.23364039 -5.04216704 2.37910312
H 4.12971653 -3.64302783 -1.39315567
H 0.13899883 4.54811631 -2.08246378
H 3.76401457 3.47527509 1.19839820
P -3.26267407 0.68131741 -0.16756905
P 1.27620700 3.13574749 0.00756681
P 1.83030512 -3.64830923 0.12602140
C -3.62348368 1.82349884 -1.53454505
C -3.49362673 3.19315105 -1.34478405
C -4.09180663 1.33129154 -2.74803867
C -3.83159365 4.06677439 -2.36245387
H -3.13111506 3.56295141 -0.39683274
C -4.43660458 2.20967877 -3.75817414
H -4.17104925 0.26388735 -2.89727766
C -4.30825384 3.57645019 -3.56676196
H -3.72610666 5.13213637 -2.21599232
H -4.80333764 1.82906834 -4.70035682
H -4.57587314 4.25944763 -4.35961635
C -4.87639795 0.44426987 0.63401809
C -4.89051675 -0.43468974 1.71468199
C -6.04626804 1.07845503 0.23814391
C -6.06886116 -0.67743785 2.39189082
H -3.96793602 -0.92089836 2.00511234
C -7.22518100 0.83011380 0.92148021
H -6.03596112 1.76094719 -0.60110140
C -7.23793291 -0.04445305 1.99471827
H -6.08067988 -1.35976111 3.22882961
H -8.13659079 1.32163205 0.61329940
H -8.16047011 -0.23448224 2.52311471
C 0.44191121 4.22090805 1.20316976
C -0.77017590 4.81238163 0.87261171
C 1.04936056 4.51468888 2.41946710
C -1.37096169 5.69481658 1.75225707
H -1.23125485 4.57712852 -0.07536926
C 0.44827862 5.40333090 3.29081446
H 1.98186195 4.03551294 2.68102583
C -0.76021239 5.99511328 2.95823503
H -2.31608151 6.15178265 1.49611376
H 0.92071179 5.63457883 4.23447546
H -1.22801779 6.68760148 3.64257226
C 2.42257120 4.25502109 -0.85269230
C 3.25714920 3.65893941 -1.79534455
C 2.48768805 5.62479909 -0.63525318
C 4.15155488 4.42932274 -2.51137957
H 3.19457354 2.58911864 -1.94779399
C 3.38749994 6.39183987 -1.35642729
H 1.84000243 6.08948506 0.09613200
C 4.21729515 5.79761541 -2.29195696
H 4.80012988 3.96707009 -3.24071228
H 3.43996337 7.45742717 -1.18590399
H 4.91727195 6.40077040 -2.85106950
C 3.26839551 -4.51141030 0.84248596
C 3.75193508 -5.70106944 0.30754760
C 3.90770482 -3.94599671 1.94177727
C 4.86555683 -6.30865408 0.86025604
H 3.25589711 -6.15549311 -0.53930970
C 5.01980170 -4.55647978 2.48997212
H 3.52127161 -3.03363741 2.37287938
C 5.50309529 -5.73703108 1.94855192
H 5.23545236 -7.23226736 0.43917272
H 5.51045918 -4.11232784 3.34355836
H 6.37248462 -6.21344792 2.37684104
C 1.01714276 -4.97753429 -0.83393600
C 0.01081705 -5.75642753 -0.27385359
C 1.41656008 -5.21176916 -2.14729992
C -0.56719250 -6.77455443 -1.01095675
H -0.33448839 -5.55136623 0.72866099
C 0.83384987 -6.22995501 -2.87911959
H 2.17270474 -4.58349579 -2.59770694
C -0.15268405 -7.01904756 -2.30992433
H -1.34958799 -7.37548636 -0.57077459
H 1.14812932 -6.40583157 -3.89765423
H -0.60630102 -7.81465161 -2.88260505
130
conf 93  E=-192.86399956 Eh  dE=0.585 kcal/mol  pop=0.47%
Ir -0.36689273 0.12291862 -0.02686178
C -1.68481627 1.13382238 1.33213721
C -1.12873701 1.96749705 2.33084775
C -3.06780714 1.36752337 1.18107975
C -1.82629075 2.92413421 3.03694187
H -0.07962094 1.86252022 2.56886629
C -3.79808774 2.35226470 1.86097082
C -3.17485190 3.14820827 2.79125413
H -1.31401992 3.52068056 3.78190730
H -3.71971697 3.92031086 3.31652937
C -1.87854379 -0.56464134 -1.38897586
C -3.27896702 -0.47493682 -1.25864615
C -1.51600602 -1.32351861 -2.52675372
C -4.20849710 -1.00415844 -2.16834631
C -2.40527853 -1.87382308 -3.42510459
H -0.46813291 -1.49314253 -2.72656121
C -3.77505615 -1.70525594 -3.26656545
H -2.03198591 -2.43694755 -4.27141972
H -4.47745173 -2.11381207 -3.97970720
C -0.62307227 -1.78679344 0.76851528
C -1.84354631 -2.11157256 1.39157177
C 0.28741959 -2.85867612 0.77303136
C -2.13512728 -3.33555345 1.94975028
H -2.60013188 -1.33644247 1.45121347
C 0.01642589 -4.12182585 1.31724863
C -1.19960440 -4.36493979 1.91093030
H -3.09640305 -3.50151736 2.41968270
H -1.42224315 -5.33299047 2.33725938
C 1.11448540 -0.43398943 -1.40233750
C 2.06575466 -1.46245825 -1.24622606
C 1.28670573 0.27562004 -2.61566912
C 3.09705072 -1.73538417 -2.15618527
C 2.27336117 0.00508406 -3.53969193
H 0.56889406 1.04394474 -2.86993988
C 3.21446525 -0.99064548 -3.30522769
H 2.31635628 0.56982610 -4.46206826
H 3.99953610 -1.19382202 -4.01981769
C -0.32815103 2.07105868 -0.80588503
C -1.50201056 2.65083006 -1.32645637
C 0.77296831 2.94367363 -0.85967830
C -1.57892073 3.92046392 -1.85314307
H -2.40962523 2.05787605 -1.30854330
C 0.72438211 4.24672492 -1.37534667
C -0.45426485 4.73853758 -1.88339066
H -2.51944373 4.29292647 -2.23973961
H -0.50667853 5.74002624 -2.28683651
C 1.22445428 0.41516042 1.30297428
C 2.35107738 1.23444368 1.08982358
C 1.29722209 -0.29208325 2.52686076
C 3.45258091 1.30978773 1.95379359
C 2.35508443 -0.20989320 3.40682675
H 0.45216532 -0.89937858 2.82276882
C 3.46656118 0.57176973 3.11300464
H 2.32216221 -0.75607647 4.34083961
H 4.30604030 0.62270007 3.79203896
H -4.85001651 2.49876758 1.63963133
H -5.27081088 -0.84270775 -2.01006494
H 0.75999752 -4.91007698 1.25987325
H 3.78583277 -2.55255093 -1.96630796
H 1.61074160 4.87249121 -1.35954667
H 4.28207135 1.96962821 1.72026563
P -4.07259653 0.32340821 0.12995910
P 2.37082849 2.45369835 -0.22277470
P 1.91747137 -2.67413982 0.06447334
C -5.46509557 1.29824545 -0.53165716
C -6.70545375 1.32895649 0.09751118
C -5.26755351 2.04252505 -1.69108158
C -7.72841478 2.10227812 -0.42256206
H -6.87440439 0.74426684 0.99157828
C -6.29263639 2.81273868 -2.20688501
H -4.31225826 2.00243707 -2.19464925
C -7.52398281 2.84684624 -1.57218471
H -8.68894012 2.12133833 0.07161765
H -6.13256237 3.38577547 -3.10838511
H -8.32498066 3.44843354 -1.97569138
C -4.92079842 -0.91478094 1.17745637
C -5.23821404 -0.59028795 2.49399436
C -5.25306021 -2.17062028 0.68161357
C -5.90495601 -1.50148135 3.29234514
H -4.94646611 0.37085517 2.89470323
C -5.91957900 -3.07780589 1.48555663
H -4.96982155 -2.44447562 -0.32398886
C -6.25460237 -2.74346386 2.78749363
H -6.14938972 -1.24273009 4.31240778
H -6.17326365 -4.05265386 1.09517386
H -6.77600212 -3.45383631 3.41219376
C 3.02030928 3.95053330 0.58014090
C 2.22227342 4.49030421 1.58637962
C 4.23721113 4.54070019 0.26690061
C 2.63934737 5.61499770 2.26975568
H 1.27560101 4.01720870 1.81375270
C 4.64995921 5.66879196 0.95655014
H 4.85831642 4.12183847 -0.51358693
C 3.85480681 6.20526386 1.95482908
H 2.01995467 6.03513132 3.04825475
H 5.59624741 6.12946856 0.71239378
H 4.18179184 7.08526117 2.48884484
C 3.59238005 2.10362061 -1.52251168
C 4.63795475 1.22476401 -1.27241255
C 3.51881724 2.76667689 -2.74301988
C 5.60636107 1.01135165 -2.23680677
H 4.68429852 0.71685888 -0.32038268
C 4.49320913 2.55468596 -3.69994644
H 2.69157354 3.43320389 -2.94036444
C 5.53780753 1.67903581 -3.44803051
H 6.41750106 0.32397058 -2.04400917
H 4.43820342 3.07059122 -4.64750155
H 6.29637118 1.51417080 -4.19901840
C 3.22322498 -2.53463356 1.32098462
C 4.41291080 -1.88673651 1.01499471
C 3.05853988 -3.13291893 2.56563929
C 5.43347741 -1.83935767 1.94744573
H 4.53047578 -1.42737136 0.04445944
C 4.08534714 -3.09009856 3.48997121
H 2.12278120 -3.61700188 2.80601418
C 5.27301944 -2.44523986 3.18228173
H 6.35740797 -1.33146847 1.71063728
H 3.95960465 -3.55731553 4.45586360
H 6.07212618 -2.41126558 3.90818611
C 2.26097709 -4.26778135 -0.73923698
C 1.36516044 -4.64631860 -1.73666598
C 3.33487469 -5.08829057 -0.42138905
C 1.54356305 -5.83908867 -2.40861108
H 0.53270870 -3.99371166 -1.96688201
C 3.50788230 -6.28384692 -1.09900020
H 4.03092060 -4.79513085 0.35313180
C 2.61615939 -6.65924472 -2.08937850
H 0.84848300 -6.13370151 -3.18080826
H 4.34214742 -6.92406156 -0.85127229
H 2.75597234 -7.59306259 -2.61359655
130
conf 94  E=-192.86398868 Eh  dE=0.592 kcal/mol  pop=0.47%
Ir -0.35086226 0.05081632 -0.08325231
C -1.64843045 1.03201501 1.32112811
C -1.07762497 1.84056777 2.33296999
C -3.05174476 1.15662889 1.29794752
C -1.78865439 2.62244038 3.21697157
H -0.00351199 1.85755599 2.44294123
C -3.80190624 1.96213230 2.17005642
C -3.17396494 2.69292703 3.14763877
H -1.26098802 3.19697292 3.96819817
H -3.73945516 3.31305507 3.82914533
C -1.87496701 -0.50018872 -1.48789493
C -3.26753481 -0.30275845 -1.38930235
C -1.53066259 -1.14857688 -2.69531892
C -4.19386379 -0.59309498 -2.40211237
C -2.42134714 -1.47089535 -3.69829788
H -0.49684368 -1.41155352 -2.86552669
C -3.77089672 -1.16633398 -3.57708998
H -2.06310311 -1.95513747 -4.59799116
H -4.46950135 -1.38260023 -4.37334155
C -0.66147846 -1.87938543 0.64552825
C -1.92759074 -2.22629338 1.15251841
C 0.24159694 -2.95857021 0.66817155
C -2.27246437 -3.47617011 1.61437315
H -2.68282096 -1.44758787 1.19554894
C -0.07908091 -4.24598517 1.12011838
C -1.34256338 -4.51110781 1.59344286
H -3.27043037 -3.65889076 1.99266032
H -1.60567739 -5.49986207 1.94206794
C 1.16432463 -0.52886542 -1.41510260
C 2.14071265 -1.51960855 -1.18017934
C 1.38711244 0.16310554 -2.63014498
C 3.24402991 -1.76185723 -2.01079247
C 2.44098046 -0.08621618 -3.48340267
H 0.66074924 0.90149645 -2.94327524
C 3.40676086 -1.03440322 -3.16499506
H 2.51982004 0.45917007 -4.41510915
H 4.24755278 -1.21452375 -3.81996474
C -0.26477832 1.99224873 -0.88194274
C -1.40517260 2.57352747 -1.47460941
C 0.85652222 2.83870394 -0.93564671
C -1.42831696 3.81546981 -2.06970871
H -2.32632375 2.00283598 -1.48162361
C 0.86057094 4.11397400 -1.51930141
C -0.28381310 4.60494354 -2.10040132
H -2.34258953 4.18368185 -2.51877858
H -0.29478445 5.58246533 -2.56166238
C 1.21230234 0.31346156 1.28611493
C 2.31854455 1.17581496 1.14871694
C 1.22857574 -0.39470907 2.51134839
C 3.34336413 1.30674779 2.09621131
C 2.20547419 -0.25363166 3.47383506
H 0.39496268 -1.04457604 2.74262695
C 3.29513277 0.58298618 3.26389878
H 2.12476415 -0.79656284 4.40665230
H 4.07039277 0.68463686 4.01025682
H -4.87924109 2.02831626 2.05768673
H -5.24264291 -0.35168549 -2.26111784
H 0.66442419 -5.03546286 1.08549145
H 3.95512042 -2.54097848 -1.75470502
H 1.76126094 4.71873443 -1.50206238
H 4.15881015 2.00161771 1.92213133
P -4.06305219 0.29362543 0.10142208
P 2.41157485 2.36562069 -0.18859600
P 1.92536207 -2.73885311 0.11411843
C -5.38255182 1.45802378 -0.37227077
C -5.03187898 2.77827417 -0.64191512
C -6.71210214 1.06472549 -0.47625365
C -6.00106501 3.69156765 -1.00996970
H -4.00044589 3.08490138 -0.54115881
C -7.67848261 1.98416802 -0.84581313
H -6.99311875 0.04255479 -0.25925348
C -7.32577962 3.29637351 -1.11253315
H -5.72465662 4.71613199 -1.21094988
H -8.71091204 1.67502286 -0.92104138
H -8.08358516 4.01223590 -1.39476707
C -4.99986702 -1.08131560 0.86495719
C -5.44108652 -0.96624108 2.17980416
C -5.26945364 -2.24438454 0.15054593
C -6.16590320 -1.99062099 2.76074132
H -5.20160729 -0.08282077 2.75331229
C -5.99879030 -3.26352642 0.73590879
H -4.89545215 -2.35483982 -0.85695608
C -6.45447848 -3.13691580 2.03796323
H -6.50388515 -1.89559830 3.78236732
H -6.20659712 -4.16275014 0.17444994
H -7.02297029 -3.93468558 2.49300430
C 2.99485175 3.89923867 0.59684821
C 2.12831863 4.46751113 1.52794634
C 4.20822727 4.51160213 0.31395434
C 2.47370247 5.64128018 2.16717232
H 1.18393407 3.97914694 1.73083376
C 4.54846575 5.68971839 0.95803500
H 4.88220374 4.07270307 -0.40955812
C 3.68479812 6.25447848 1.88093072
H 1.79991153 6.08355353 2.88599148
H 5.49079987 6.16887898 0.73514976
H 3.95389070 7.17521518 2.37708052
C 3.72293050 1.97925978 -1.38675794
C 4.77014512 1.14724863 -1.01265242
C 3.72259602 2.57051515 -2.64545627
C 5.81420872 0.91221184 -1.88902753
H 4.76084965 0.69372957 -0.03227655
C 4.77310939 2.33921998 -3.51371074
H 2.89454723 3.19812627 -2.94169763
C 5.81995950 1.51278835 -3.13664373
H 6.62686169 0.26229977 -1.59756583
H 4.77598515 2.80145923 -4.49009522
H 6.63838312 1.33368688 -3.81841343
C 3.10324893 -2.60104479 1.49118322
C 4.30253332 -1.92338328 1.31888147
C 2.83333102 -3.24538840 2.69413017
C 5.22626205 -1.88487334 2.34794134
H 4.50081138 -1.43301435 0.37703270
C 3.76325607 -3.20938714 3.71561056
H 1.89078420 -3.75778840 2.82562471
C 4.95947557 -2.53008388 3.54389377
H 6.15769643 -1.35302552 2.21733636
H 3.55546208 -3.70880838 4.65083914
H 5.68219698 -2.50088061 4.34602148
C 2.39313748 -4.31332842 -0.66666057
C 1.62627885 -4.70129631 -1.76299066
C 3.45546153 -5.10404651 -0.24896621
C 1.92116854 -5.87135787 -2.43387139
H 0.80173576 -4.07210140 -2.07246893
C 3.74614872 -6.27677086 -0.92593713
H 4.05283264 -4.80538307 0.60181666
C 2.98320249 -6.66012114 -2.01572414
H 1.32668826 -6.17192514 -3.28385939
H 4.57258700 -6.89191209 -0.60065057
H 3.21610124 -7.57456551 -2.54095782
130
conf 95  E=-192.86398066 Eh  dE=0.597 kcal/mol  pop=0.46%
Ir 0.11256536 -0.30936395 -0.03568176
C -0.84349342 0.81335624 1.44963339
C -0.16376824 1.18823758 2.63311600
C -2.15641276 1.32341494 1.39992792
C -0.71237923 1.97161678 3.62574798
H 0.83066838 0.79694953 2.80213544
C -2.72302345 2.15052300 2.37997189
C -1.99527641 2.49091832 3.49500414
H -0.14196368 2.18495792 4.52060500
H -2.42097642 3.12101391 4.26319870
C -1.62876227 -1.27891620 -0.69174487
C -2.95064238 -0.80750937 -0.60818858
C -1.54862403 -2.55789234 -1.27734720
C -4.07235249 -1.51441458 -1.06483241
C -2.62799535 -3.27083968 -1.74821507
H -0.56885230 -3.01429107 -1.36016847
C -3.91329491 -2.74838340 -1.64867324
H -2.48305324 -4.24795977 -2.19209862
H -4.76781197 -3.30315172 -2.00998781
C 0.09405843 -2.01849951 1.26408520
C -0.80834086 -2.03750180 2.35366804
C 0.63819968 -3.29841237 1.02742806
C -1.15107693 -3.16106584 3.07499739
H -1.27480428 -1.11114214 2.65744524
C 0.29073854 -4.46362327 1.72580656
C -0.61747884 -4.40272676 2.75459998
H -1.85591568 -3.07819894 3.89331396
H -0.90441257 -5.29320340 3.29638533
C 1.33981406 -1.17567883 -1.57284198
C 2.00671524 -2.41779776 -1.56694676
C 1.65176895 -0.43026730 -2.73374502
C 2.81622397 -2.90193258 -2.60685449
C 2.46055038 -0.86946944 -3.76056086
H 1.23151524 0.55859461 -2.84489753
C 3.04227533 -2.13018782 -3.72010018
H 2.63686069 -0.22823383 -4.61520572
H 3.65614022 -2.49183785 -4.53331464
C -0.33580762 1.30926207 -1.29190229
C -1.14653983 1.14010380 -2.44058293
C 0.03094739 2.65604280 -1.09185883
C -1.54424518 2.16843830 -3.26829430
H -1.43007343 0.13632508 -2.72776191
C -0.39184329 3.72268060 -1.89779016
C -1.19549645 3.48428289 -2.98677909
H -2.13235917 1.95224440 -4.15089579
H -1.52244226 4.29496261 -3.62252613
C 1.94375726 0.45742844 0.60180198
C 2.37382463 1.79653238 0.61929282
C 2.93037340 -0.43213547 1.06796488
C 3.64865474 2.21064612 1.02957322
C 4.18514366 -0.05777656 1.49203387
H 2.67576393 -1.48556420 1.11156153
C 4.56235775 1.28138875 1.46789064
H 4.88398987 -0.80617635 1.84391264
H 5.54936630 1.58500370 1.78735671
H -3.74490557 2.49996486 2.27133705
H -5.06639297 -1.09643977 -0.94407278
H 0.72591854 -5.41640775 1.44342691
H 3.24844951 -3.89586541 -2.53701615
H -0.06239901 4.73310892 -1.67707981
H 3.91836702 3.26097661 0.99020224
P -3.32262071 0.76441498 0.15953807
P 1.27114803 3.10963617 0.11824557
P 1.93081155 -3.55063636 -0.18534546
C -3.80476224 2.06093770 -1.01995420
C -3.60112437 3.39720403 -0.70193771
C -4.44203511 1.71911742 -2.20815203
C -4.03508856 4.38678846 -1.56560986
H -3.10573282 3.65006741 0.22399599
C -4.88043195 2.71246548 -3.06333985
H -4.57877910 0.67769226 -2.46164464
C -4.67953069 4.04600503 -2.74291321
H -3.87320788 5.42643784 -1.31951126
H -5.37823567 2.44807295 -3.98502975
H -5.02199037 4.81942345 -3.41464404
C -4.85107308 0.45551771 1.09603549
C -4.77990224 -0.55676444 2.05046545
C -6.03266972 1.16325485 0.92156174
C -5.88452987 -0.85792042 2.82186422
H -3.85144850 -1.10055432 2.16844280
C -7.13757241 0.85561251 1.69811102
H -6.09012937 1.94952447 0.18072165
C -7.06521268 -0.15096937 2.64587804
H -5.82973130 -1.64373545 3.56059839
H -8.05798865 1.40464799 1.56132472
H -7.93015057 -0.38623079 3.24831379
C 0.60871621 4.04129941 1.53088808
C -0.60344691 4.70887556 1.41673767
C 1.35232082 4.14482345 2.70175996
C -1.06989531 5.47681123 2.46854392
H -1.16997895 4.62300762 0.50101556
C 0.88490983 4.92021955 3.74593803
H 2.28526947 3.60672622 2.79094551
C -0.32464935 5.58728675 3.63045225
H -2.01523851 5.99290425 2.38183881
H 1.46251344 5.00321664 4.65509590
H -0.68826186 6.18999407 4.44970774
C 2.32464426 4.32314037 -0.73137581
C 3.00318978 3.85757534 -1.85539037
C 2.46829647 5.64509277 -0.33145169
C 3.81966252 4.71009911 -2.57157471
H 2.88033340 2.82293219 -2.14907831
C 3.28875622 6.49514937 -1.05427236
H 1.94269421 6.00797113 0.54157703
C 3.96243481 6.03080914 -2.17113496
H 4.34681693 4.34921661 -3.44223265
H 3.40133533 7.52355849 -0.74287730
H 4.60053055 6.69852803 -2.73093347
C 3.54729471 -3.62273030 0.67112438
C 4.72009748 -3.25688963 0.02027333
C 3.60083412 -4.05131083 1.99505650
C 5.93323539 -3.34444678 0.67936167
H 4.68012909 -2.88283230 -0.99219918
C 4.81645429 -4.13528296 2.64862475
H 2.68622143 -4.30290449 2.51488455
C 5.98564694 -3.78984755 1.99003269
H 6.84120323 -3.05630787 0.16897680
H 4.85099913 -4.46769389 3.67624889
H 6.93432931 -3.85561435 2.50219105
C 1.77722865 -5.23662217 -0.86429025
C 0.87933727 -5.46153941 -1.90356947
C 2.51083312 -6.30188998 -0.35183732
C 0.71019303 -6.73479176 -2.41372706
H 0.32476687 -4.63217776 -2.31838884
C 2.33809373 -7.57481271 -0.86621600
H 3.22010547 -6.13653784 0.44781973
C 1.43600150 -7.79460201 -1.89370892
H 0.01157073 -6.90189828 -3.22042352
H 2.91063137 -8.39718190 -0.46235414
H 1.30232614 -8.78968795 -2.29147561
130
conf 96  E=-192.86397938 Eh  dE=0.598 kcal/mol  pop=0.46%
Ir 0.18958813 -0.28585909 0.03832439
C -0.89651534 0.87319798 1.41096924
C -0.30296508 1.35951362 2.60095354
C -2.20562032 1.36679845 1.22901992
C -0.92043194 2.22471666 3.47907932
H 0.67824107 0.99407672 2.87404141
C -2.83764974 2.27967664 2.08518347
C -2.19040439 2.72405119 3.21287530
H -0.41437007 2.51958049 4.38941051
H -2.66689672 3.42154355 3.88725004
C -1.48211341 -1.34694318 -0.62085916
C -2.83245220 -0.95082018 -0.59420670
C -1.31268507 -2.64721186 -1.13157359
C -3.89995124 -1.76052936 -1.00554597
C -2.33660571 -3.46401331 -1.55469417
H -0.29915163 -3.02814338 -1.21173151
C -3.65531520 -3.02542938 -1.48612437
H -2.11907624 -4.45248314 -1.93939715
H -4.46882707 -3.66227632 -1.80396815
C 0.36094763 -1.89771808 1.44220999
C -0.31232775 -1.83717645 2.68310191
C 1.09603413 -3.09413285 1.31408321
C -0.20180374 -2.77759699 3.68635448
H -0.96138858 -0.99633378 2.87967156
C 1.24925671 -4.05514509 2.32467928
C 0.61168917 -3.89237198 3.53091490
H -0.74577663 -2.63974575 4.61229636
H 0.73178238 -4.61559812 4.32550912
C 1.55030174 -1.08420115 -1.42038890
C 2.22160509 -2.32302304 -1.42936844
C 2.02525908 -0.23506090 -2.44848547
C 3.21958081 -2.68963347 -2.34682389
C 2.98493464 -0.57541121 -3.37654785
H 1.61108445 0.75831409 -2.53690306
C 3.59850965 -1.82088388 -3.33958147
H 3.27171706 0.13961087 -4.13771908
H 4.36112738 -2.09265921 -4.05600110
C -0.25500743 1.24569293 -1.31911103
C -0.95337170 0.97018966 -2.51876771
C 0.08567733 2.60786317 -1.19558411
C -1.26035902 1.91893569 -3.47069166
H -1.21371964 -0.05651248 -2.73978031
C -0.25145262 3.59648988 -2.13055354
C -0.93666372 3.25588083 -3.27252398
H -1.75690284 1.62270130 -4.38565878
H -1.19079328 4.00469693 -4.00942241
C 1.96366260 0.57791136 0.76029754
C 2.28827095 1.94549551 0.79315170
C 2.98021095 -0.22867010 1.31320755
C 3.47851973 2.46576234 1.32204843
C 4.15067428 0.25354968 1.85609592
H 2.82941158 -1.30147082 1.33243028
C 4.41333345 1.61918910 1.86779403
H 4.87460868 -0.43253266 2.27844189
H 5.33146885 2.00557335 2.28766671
H -3.84715299 2.61558180 1.86985605
H -4.91901147 -1.39496270 -0.93435074
H 1.88223170 -4.92063774 2.15592398
H 3.71322656 -3.65189351 -2.25766508
H 0.05472560 4.62505128 -1.96785778
H 3.66886283 3.53348867 1.28995524
P -3.28432090 0.68119810 -0.02564741
P 1.19464399 3.17587119 0.09285279
P 1.89087345 -3.59182109 -0.21261221
C -3.68041635 1.81405773 -1.39047110
C -3.53959555 3.18491464 -1.22340165
C -4.20874355 1.30665260 -2.57308638
C -3.91935908 4.04538448 -2.23791780
H -3.13491053 3.56444444 -0.29657543
C -4.59392257 2.17174811 -3.57941437
H -4.30132954 0.23736290 -2.70075131
C -4.44998383 3.54052836 -3.41318220
H -3.80474408 5.11240487 -2.11178016
H -5.00524840 1.77966257 -4.49829323
H -4.74871215 4.21348193 -4.20347261
C -4.88934795 0.48138917 0.80675975
C -4.90507179 -0.36941531 1.90963612
C -6.05463687 1.12569861 0.41216239
C -6.07807163 -0.57392158 2.60872534
H -3.98727663 -0.86340510 2.20138816
C -7.22814952 0.91608543 1.11705074
H -6.04649360 1.78751636 -0.44318897
C -7.24159453 0.06946345 2.21235071
H -6.09012023 -1.23397733 3.46334256
H -8.13448566 1.41666549 0.80837694
H -8.15967631 -0.08975917 2.75835478
C 0.37247431 4.22123516 1.33222409
C -0.82871837 4.84370935 1.01847938
C 0.97721417 4.46060272 2.56148485
C -1.41976534 5.70427007 1.92595521
H -1.28885323 4.65170168 0.06023928
C 0.38710455 5.32931184 3.46034032
H 1.89947116 3.95643308 2.81155903
C -0.80950575 5.95294437 3.14379831
H -2.35648933 6.18469283 1.68219202
H 0.85900143 5.51963353 4.41332593
H -1.26839743 6.62974312 3.84953390
C 2.32576707 4.32713868 -0.74653100
C 3.15071892 3.76306631 -1.71705729
C 2.41275278 5.68382626 -0.46524554
C 4.05755021 4.55135444 -2.39679036
H 3.07360485 2.70237730 -1.91827818
C 3.32552619 6.46913739 -1.14988579
H 1.77382056 6.12390375 0.28869213
C 4.14678294 5.90612344 -2.11174928
H 4.69955584 4.11250914 -3.14611375
H 3.39680766 7.52405794 -0.92788270
H 4.85957068 6.52273443 -2.63908165
C 3.50835055 -4.32921676 0.18943755
C 4.58396327 -3.47442994 0.41570265
C 3.69187162 -5.70445319 0.28078072
C 5.82628018 -3.99142744 0.72903820
H 4.44206419 -2.40691551 0.32447915
C 4.93909274 -6.21652095 0.59394638
H 2.86259738 -6.37493795 0.09757607
C 6.00620671 -5.36305716 0.81834738
H 6.65880260 -3.32416801 0.89753890
H 5.07821581 -7.28593001 0.65853336
H 6.97905868 -5.76664478 1.05728456
C 0.97349664 -5.00788248 -0.92231141
C 0.03246165 -5.69905784 -0.16573055
C 1.21436707 -5.39460881 -2.23727680
C -0.63383674 -6.78200880 -0.71017281
H -0.18587617 -5.37902707 0.84276877
C 0.54171386 -6.47549259 -2.77711751
H 1.91594855 -4.83960065 -2.84253521
C -0.37656334 -7.17704270 -2.01276493
H -1.36166683 -7.31546986 -0.11629704
H 0.73276449 -6.76978264 -3.79884719
H -0.89904417 -8.02245594 -2.43579000
130
conf 97  E=-192.86397892 Eh  dE=0.598 kcal/mol  pop=0.46%
Ir -0.38270484 0.06785147 -0.07090125
C -1.73284777 1.07948138 1.25725169
C -1.19812107 1.89694425 2.28094191
C -3.11324324 1.31261165 1.08458992
C -1.91251265 2.83306719 2.99736387
H -0.15220930 1.79526100 2.53318337
C -3.86136913 2.27423106 1.77877009
C -3.25974535 3.05050998 2.73917608
H -1.41474888 3.41711780 3.76182726
H -3.81944660 3.80354381 3.27630151
C -1.85993804 -0.55563523 -1.50241997
C -3.26280945 -0.44047341 -1.42134541
C -1.46885640 -1.27044086 -2.65858548
C -4.16606031 -0.90374539 -2.39114052
C -2.33324146 -1.75549423 -3.61724843
H -0.41775261 -1.45693208 -2.82350058
C -3.70389001 -1.56065436 -3.50510645
H -1.93876512 -2.28631938 -4.47473257
H -4.38589265 -1.91603877 -4.26503444
C -0.69568543 -1.85234254 0.67855123
C -1.95174900 -2.17452336 1.22647994
C 0.20043868 -2.93600351 0.71090128
C -2.29072737 -3.40664579 1.73765485
H -2.69906677 -1.38933017 1.26253455
C -0.11605169 -4.20679926 1.21066728
C -1.36737411 -4.44754662 1.72709625
H -3.27929541 -3.57006873 2.14793911
H -1.62619245 -5.42237957 2.11586615
C 1.14941409 -0.49747244 -1.38709337
C 2.08955196 -1.52943388 -1.18905513
C 1.38676187 0.22034145 -2.58449007
C 3.16776260 -1.79706265 -2.04467137
C 2.41975380 -0.04632466 -3.45770597
H 0.68536384 0.99309427 -2.86964860
C 3.34615930 -1.04512497 -3.18097042
H 2.51154945 0.52394647 -4.37308526
H 4.16764034 -1.24445739 -3.85454944
C -0.28883028 2.02394007 -0.82451955
C -1.43481103 2.62470850 -1.38256488
C 0.82679860 2.87922882 -0.83685117
C -1.47238213 3.89557928 -1.91037049
H -2.35242061 2.04765840 -1.39438483
C 0.81795350 4.18300964 -1.35333903
C -0.33329953 4.69398934 -1.90326368
H -2.39313692 4.28471892 -2.32712758
H -0.35471648 5.69577729 -2.30881817
C 1.15690603 0.32325158 1.32456787
C 2.29303258 1.14391438 1.17674009
C 1.16767462 -0.39767538 2.54243875
C 3.34745902 1.21171885 2.09815962
C 2.17723465 -0.32196083 3.47800463
H 0.30933255 -1.00900677 2.78738696
C 3.30085224 0.46418472 3.25050023
H 2.09625918 -0.87713702 4.40372013
H 4.10279108 0.51085462 3.97372957
H -4.91133735 2.41725207 1.54651250
H -5.23011769 -0.72440492 -2.26789254
H 0.62046428 -5.00296657 1.17911347
H 3.84553970 -2.61548381 -1.82302968
H 1.71309645 4.79450814 -1.30514451
H 4.18753556 1.87404259 1.91482045
P -4.09387567 0.30757484 -0.02560673
P 2.38701415 2.37135935 -0.12540952
P 1.86912914 -2.75334183 0.09979276
C -5.46232950 1.31998171 -0.68061058
C -5.22535634 2.13661089 -1.78224256
C -6.72260490 1.31527571 -0.09136496
C -6.23153500 2.94277364 -2.28009123
H -4.25361990 2.12635437 -2.25464080
C -7.72661178 2.12447738 -0.59329831
H -6.92092614 0.67627269 0.75843650
C -7.48288996 2.94114181 -1.68480910
H -6.04078233 3.57321043 -3.13617347
H -8.70242426 2.11608466 -0.12982776
H -8.26858858 3.57190713 -2.07351510
C -4.98233340 -0.96150911 0.94947953
C -5.35800313 -2.17206967 0.37785931
C -5.28466256 -0.70877035 2.28512456
C -6.05017955 -3.10597827 1.12787692
H -5.08914808 -2.39122072 -0.64476300
C -5.97537577 -1.64700589 3.02970231
H -4.96211165 0.21721616 2.74170429
C -6.36649368 -2.84373390 2.45085988
H -6.33752513 -4.04560810 0.67917402
H -6.20587243 -1.44533154 4.06575693
H -6.90596145 -3.57559027 3.03409136
C 3.00195905 3.86102553 0.71715528
C 2.15283842 4.40398240 1.67889948
C 4.23705420 4.44551224 0.47149151
C 2.53778503 5.52540122 2.38606197
H 1.19216033 3.93650445 1.85299433
C 4.61739735 5.57035088 1.18464188
H 4.89749129 4.02492520 -0.27509830
C 3.77178895 6.10947936 2.13915101
H 1.87847205 5.94790987 3.12979047
H 5.57788850 6.02658461 0.99309524
H 4.07372228 6.98687956 2.69178427
C 3.67319603 2.01678362 -1.35994279
C 4.70119019 1.13446803 -1.05449754
C 3.66590593 2.67760876 -2.58384868
C 5.71774783 0.91553068 -1.96661809
H 4.69657899 0.62824808 -0.10034311
C 4.68861142 2.46073456 -3.48795521
H 2.85254651 3.34663590 -2.82578548
C 5.71527718 1.58171418 -3.18063780
H 6.51522359 0.22587921 -1.72997182
H 4.68521810 2.97535736 -4.43790286
H 6.51132022 1.41290846 -3.89087306
C 3.10136809 -2.63793792 1.43069581
C 4.30826192 -1.98948247 1.20427722
C 2.86527185 -3.26095122 2.65161538
C 5.27509577 -1.96494060 2.19323792
H 4.48046605 -1.51181649 0.25088604
C 3.83863520 -3.24038645 3.63268644
H 1.91615244 -3.74638801 2.82902856
C 5.04367159 -2.59444596 3.40474501
H 6.21256268 -1.45669604 2.01859821
H 3.65771986 -3.72636057 4.58043728
H 5.80094416 -2.57831849 4.17477349
C 2.25384304 -4.34100848 -0.69745565
C 1.41871585 -4.70742389 -1.75046054
C 3.30222815 -5.16992635 -0.32123946
C 1.63127374 -5.89659475 -2.41886427
H 0.60549886 -4.04830182 -2.02621438
C 3.50988418 -6.36170022 -0.99567801
H 3.95151794 -4.88662094 0.49624667
C 2.67788988 -6.72526985 -2.04086483
H 0.98288863 -6.18203602 -3.23388368
H 4.32417625 -7.00822371 -0.70218317
H 2.84411941 -7.65645606 -2.56201904
130
conf 98  E=-192.86396908 Eh  dE=0.605 kcal/mol  pop=0.46%
Ir 0.22957705 -0.34786904 0.04998646
C -0.87390777 0.87484952 1.34709548
C -0.30909423 1.36127696 2.55098903
C -2.17596637 1.37008692 1.13032556
C -0.94567686 2.23068872 3.41072663
H 0.66118475 0.98960175 2.85223839
C -2.82897374 2.28270454 1.97103197
C -2.20829855 2.73020114 3.11243689
H -0.46168804 2.52700275 4.33246024
H -2.70133302 3.42792737 3.77451968
C -1.42869950 -1.36015437 -0.70573620
C -2.76857300 -0.93345743 -0.74219011
C -1.25743556 -2.65057134 -1.24256370
C -3.82955771 -1.70654074 -1.23369427
C -2.27457407 -3.42951521 -1.74584099
H -0.24992992 -3.05091202 -1.27665411
C -3.58532597 -2.96230285 -1.73764654
H -2.05719735 -4.41099815 -2.14810332
H -4.39319490 -3.57055760 -2.11959957
C 0.16653452 -1.94012880 1.49116824
C -0.68285262 -1.84188460 2.61804336
C 0.80023889 -3.19796474 1.43520209
C -0.84305769 -2.82282314 3.57365724
H -1.25469910 -0.93657782 2.76054263
C 0.67571098 -4.20633275 2.40406263
C -0.14515058 -4.02087103 3.48927620
H -1.51355054 -2.65427980 4.40713165
H -0.24599958 -4.78427439 4.24818583
C 1.68960558 -1.23610075 -1.25045439
C 2.43332852 -2.41566205 -1.03749239
C 2.25681037 -0.45133539 -2.28225580
C 3.62523340 -2.74783286 -1.69700426
C 3.41112042 -0.76422390 -2.96771477
H 1.76317046 0.46658265 -2.56771040
C 4.12922429 -1.91399221 -2.66539668
H 3.77174304 -0.09826547 -3.74213400
H 5.05241227 -2.14950420 -3.17641343
C -0.08504009 1.16242482 -1.36526026
C -0.74498126 0.89095702 -2.58769094
C 0.26053720 2.52209529 -1.23238567
C -1.03149887 1.84415266 -3.54126735
H -0.99806565 -0.13487856 -2.82014039
C -0.04704606 3.51397988 -2.17430159
C -0.71043902 3.18015734 -3.33072474
H -1.50822250 1.55229114 -4.46819269
H -0.94894492 3.93245596 -4.06933573
C 1.99767384 0.47416223 0.82402824
C 2.37384408 1.82877808 0.83415354
C 2.97104276 -0.36023444 1.40836196
C 3.57423404 2.31165807 1.37481139
C 4.15177117 0.08374514 1.95959579
H 2.77902941 -1.42723542 1.42272335
C 4.46585208 1.43884674 1.95119193
H 4.84721724 -0.62196872 2.39677326
H 5.39312042 1.79659047 2.37625455
H -3.83472078 2.61500893 1.73397413
H -4.84320929 -1.32030479 -1.20522210
H 1.24468115 -5.12589816 2.30309493
H 4.15868530 -3.65437304 -1.43163201
H 0.26175250 4.54034786 -2.00320376
H 3.80715752 3.37031747 1.32558389
P -3.21954916 0.69400109 -0.15875846
P 1.33780838 3.08022922 0.08620390
P 1.84933300 -3.69144892 0.07391845
C -3.55044409 1.85818712 -1.51406878
C -3.38837125 3.22222719 -1.31075452
C -4.03551963 1.38864894 -2.73001050
C -3.70963619 4.11319661 -2.31878086
H -3.01415932 3.57296747 -0.36011405
C -4.36334534 2.28448140 -3.73017261
H -4.14090998 0.32478263 -2.88820310
C -4.20215298 3.64593427 -3.52583145
H -3.57912383 5.17446827 -2.16281128
H -4.74322948 1.92171240 -4.67423529
H -4.45702345 4.34275057 -4.31075967
C -4.84483991 0.48815615 0.62866162
C -4.89352420 -0.40918460 1.69311598
C -5.99040756 1.17141586 0.24323427
C -6.08137474 -0.62130079 2.36397964
H -3.98979007 -0.93335992 1.97638411
C -7.17892004 0.95410636 0.92038604
H -5.95416318 1.86878603 -0.58288944
C -7.22575163 0.06138131 1.97754919
H -6.11987598 -1.31777279 3.18835550
H -8.07087794 1.48479292 0.62040967
H -8.15539992 -0.10360231 2.50185498
C 0.50076441 4.15664605 1.28852451
C 1.07922445 4.40185163 2.52923064
C -0.68471489 4.78989329 0.93927298
C 0.47665433 5.28454793 3.40578294
H 1.99007337 3.89018748 2.80488537
C -1.28778582 5.66552575 1.82413413
H -1.12328626 4.59344013 -0.02798938
C -0.70525097 5.91770019 3.05474905
H 0.92655577 5.47849121 4.36863626
H -2.21229448 6.15467949 1.55255809
H -1.17403635 6.60517166 3.74344210
C 2.51167467 4.19719873 -0.73933610
C 2.60212063 5.56010953 -0.49109453
C 3.34561451 3.60398031 -1.68455117
C 3.52641102 6.32359040 -1.18484702
H 1.95525476 6.02220348 0.24269266
C 4.26463903 4.37066386 -2.37267524
H 3.26278154 2.53917123 -1.86080262
C 4.35559433 5.73231952 -2.12269460
H 3.59881627 7.38395494 -0.99074809
H 4.91295373 3.91052256 -3.10355740
H 5.07501342 6.33271528 -2.65968440
C 3.28387013 -4.56832070 0.78032948
C 3.78733738 -5.73039885 0.20450683
C 3.90112041 -4.04206234 1.91121973
C 4.89890705 -6.34924531 0.74878295
H 3.30815600 -6.15446081 -0.66751557
C 5.01079447 -4.66422656 2.45134163
H 3.49884248 -3.15196047 2.37332911
C 5.51401834 -5.81682096 1.86950801
H 5.28485130 -7.25093108 0.29581576
H 5.48369640 -4.25102349 3.33014426
H 6.38139415 -6.30245627 2.29157470
C 1.03987875 -4.99996870 -0.91760638
C 1.43509836 -5.19771154 -2.23822210
C 0.03947814 -5.79826522 -0.37435027
C 0.85366912 -6.19857290 -2.99454973
H 2.18681128 -4.55446774 -2.67472129
C -0.53757460 -6.79852615 -1.13611878
H -0.30199550 -5.62173842 0.63488740
C -0.12763706 -7.00632798 -2.44288638
H 1.16485227 -6.34612839 -4.01853223
H -1.31540944 -7.41463474 -0.70899303
H -0.58051015 -7.78803794 -3.03495883
130
conf 99  E=-192.86396641 Eh  dE=0.606 kcal/mol  pop=0.46%
Ir 0.18598765 0.31773046 0.03543718
C -1.36812518 1.46824686 0.85235090
C -1.09207569 2.72655611 1.42296649
C -2.73834347 1.15467170 0.87840427
C -2.04042832 3.56374834 1.96583647
H -0.06099458 3.06165148 1.43197600
C -3.73043466 1.99036454 1.41101302
C -3.38286516 3.19944501 1.96458155
H -1.74655743 4.51583441 2.39005367
H -4.13640273 3.85388727 2.37975220
C -1.02705335 -0.69721023 -1.33872326
C -2.37194581 -1.07294287 -1.14929909
C -0.50861937 -1.15741060 -2.57281007
C -3.11085485 -1.85744098 -2.04592079
C -1.22518855 -1.90359123 -3.48378461
H 0.49622809 -0.86793761 -2.85021337
C -2.53271601 -2.29157721 -3.21469529
H -0.76901364 -2.18932231 -4.42294634
H -3.09061012 -2.89241007 -3.91906208
C -0.30054329 -1.23750775 1.35308215
C -0.97113627 -0.97723271 2.57282172
C -0.08070123 -2.61451734 1.14782613
C -1.37555321 -1.95249534 3.45912630
H -1.13073589 0.05237172 2.86381592
C -0.51216534 -3.62589720 2.01794918
C -1.17682240 -3.29872697 3.17543637
H -1.85054873 -1.67040956 4.38988930
H -1.50901586 -4.06652267 3.85986061
C 1.84926997 -0.63034239 -0.78822453
C 2.13371112 -2.00683926 -0.83314988
C 2.85954683 0.15100590 -1.38206453
C 3.30030267 -2.55371967 -1.38549019
C 4.00762585 -0.35550700 -1.94784504
H 2.71460879 1.22577918 -1.41062113
C 4.24424371 -1.72680369 -1.94730045
H 4.73257667 0.31410763 -2.39341991
H 5.14800320 -2.13360703 -2.37883325
C 0.21368044 2.02919126 -1.25837902
C -0.77430348 2.14356564 -2.26431295
C 0.87542135 3.25719267 -1.04755170
C -1.09650639 3.31113621 -2.92276824
H -1.32896073 1.26061874 -2.54901204
C 0.55003153 4.46661723 -1.67676068
C -0.45215993 4.50265762 -2.61600432
H -1.87306660 3.30391743 -3.67789067
H -0.72493172 5.42868565 -3.10272690
C 1.66190454 1.01817079 1.42820233
C 2.45742070 2.17831539 1.34770388
C 2.03978175 0.21076666 2.52709391
C 3.45376089 2.53797140 2.26954169
C 3.02862736 0.52559177 3.43463891
H 1.52315712 -0.72431993 2.68785475
C 3.74342804 1.71204181 3.32750195
H 3.24507805 -0.15520996 4.24852404
H 4.50428673 1.97621204 4.04873377
H -4.77282711 1.69154300 1.37296133
H -4.14637509 -2.10022435 -1.82936560
H -0.29765869 -4.66529529 1.79042457
H 3.46435164 -3.62607818 -1.35893157
H 1.07548312 5.37724811 -1.40885016
H 3.98298683 3.47918931 2.15257199
P -3.34674228 -0.37641794 0.18265181
P 2.31349368 3.35965321 0.01396504
P 0.97601273 -3.19885092 -0.17525978
C -4.92032690 0.07349925 -0.60934742
C -6.14526814 -0.50053207 -0.29741243
C -4.83980522 1.04976191 -1.59998568
C -7.28420431 -0.09586240 -0.97389324
H -6.20891998 -1.25854496 0.47187721
C -5.97849649 1.44752266 -2.27147024
H -3.87623866 1.48881218 -1.82465077
C -7.20249078 0.87385779 -1.95860499
H -8.23829002 -0.54055481 -0.73014897
H -5.91682157 2.20481560 -3.03894991
H -8.09382992 1.18450478 -2.48338834
C -3.83329910 -1.59691541 1.43840241
C -4.31206850 -1.17125697 2.67307932
C -3.78884324 -2.95261540 1.14120028
C -4.75021814 -2.10064873 3.59742755
H -4.32550610 -0.11617795 2.90648342
C -4.22124632 -3.87842832 2.07349420
H -3.41660627 -3.26984707 0.17817475
C -4.70646429 -3.45362592 3.29894079
H -5.12424778 -1.77147523 4.55606115
H -4.18216694 -4.93365638 1.84397580
H -5.04680380 -4.17711287 4.02516390
C 2.40102980 5.02324919 0.75671283
C 3.13341165 6.05164850 0.17238193
C 1.69974552 5.26649200 1.93401071
C 3.15237320 7.30720748 0.75381909
H 3.69403143 5.87019141 -0.73456102
C 1.72226118 6.52215198 2.51106116
H 1.14991379 4.46368650 2.40398196
C 2.44548984 7.54597595 1.92053550
H 3.72328259 8.10115127 0.29455235
H 1.17684721 6.70240166 3.42577330
H 2.46316407 8.52700658 2.37173635
C 3.80961375 3.31416268 -1.03917683
C 3.74576977 3.82469623 -2.33339656
C 5.00499233 2.77886400 -0.57246669
C 4.87106429 3.82501789 -3.13683360
H 2.80793620 4.20562121 -2.71380946
C 6.12726298 2.78198733 -1.38136388
H 5.05049117 2.33982542 0.41315566
C 6.06632284 3.31170496 -2.65981343
H 4.81396099 4.22378283 -4.13928337
H 7.05241132 2.36283755 -1.01323006
H 6.94472561 3.31333641 -3.28833267
C 2.00711013 -4.48221533 0.59486439
C 2.85691543 -4.04644065 1.60903695
C 1.97567660 -5.82490844 0.24306067
C 3.67064106 -4.94948767 2.26354867
H 2.86800971 -2.99494906 1.86606362
C 2.79468359 -6.72563434 0.90357965
H 1.31536688 -6.16392543 -0.54391848
C 3.63965685 -6.29091480 1.91056547
H 4.33090535 -4.61194064 3.04860628
H 2.77191317 -7.77060501 0.63015162
H 4.27608888 -6.99812843 2.42161545
C 0.06950891 -4.09219182 -1.47284255
C -1.18603255 -4.62008425 -1.20129734
C 0.65780063 -4.30315963 -2.71528381
C -1.84925340 -5.35684797 -2.16590100
H -1.63183313 -4.45092775 -0.23207027
C -0.00613397 -5.04769969 -3.67211535
H 1.62566056 -3.87261676 -2.92889254
C -1.25814406 -5.57584871 -3.39890435
H -2.82799899 -5.76358190 -1.95550356
H 0.45133739 -5.21503066 -4.63639858
H -1.77501359 -6.15466762 -4.15022919
130
conf 100  E=-192.86395728 Eh  dE=0.612 kcal/mol  pop=0.45%
Ir 0.08262546 -0.37781873 -0.03026218
C -0.87524312 0.84046356 1.37667848
C -0.21848428 1.23879594 2.56534662
C -2.16490736 1.39756546 1.26326737
C -0.76637449 2.08374441 3.50663637
H 0.75375405 0.81721033 2.78325629
C -2.72940706 2.28473088 2.19047442
C -2.02366283 2.64437746 3.31362772
H -0.21603095 2.31241529 4.41024535
H -2.44836972 3.32137375 4.04138860
C -1.67313897 -1.31052172 -0.70083396
C -2.97705436 -0.78518152 -0.68152654
C -1.62559931 -2.61501237 -1.23138892
C -4.11094848 -1.46636366 -1.14717589
C -2.71701582 -3.30416149 -1.71007336
H -0.66237502 -3.11101076 -1.26335526
C -3.98292113 -2.72872013 -1.67516127
H -2.59721196 -4.30327295 -2.11044930
H -4.84699566 -3.26434723 -2.04249763
C -0.03922969 -2.02625573 1.34141916
C -0.97936167 -1.96601901 2.39711865
C 0.47741226 -3.33016269 1.19043410
C -1.37308459 -3.04013889 3.16614750
H -1.43489285 -1.01474974 2.63265227
C 0.08104328 -4.44661117 1.94094825
C -0.85695218 -4.30866949 2.93481158
H -2.10384985 -2.89693983 3.95273096
H -1.17990494 -5.16059618 3.51682650
C 1.31873315 -1.36359791 -1.48785582
C 1.93797588 -2.62783882 -1.40484212
C 1.68381269 -0.69006044 -2.67674134
C 2.74694068 -3.19485632 -2.40239428
C 2.49486477 -1.21109056 -3.66278303
H 1.30567686 0.30754092 -2.84553924
C 3.02428679 -2.49002061 -3.54794269
H 2.71327858 -0.62080837 -4.54392544
H 3.63776677 -2.91652301 -4.32939997
C -0.26768112 1.19718809 -1.37029363
C -1.04535313 1.00443504 -2.53805702
C 0.13554202 2.53920588 -1.21409770
C -1.38232994 2.00829790 -3.42080436
H -1.35256191 -0.00126782 -2.79229897
C -0.22332926 3.58263809 -2.07939023
C -0.99843231 3.32325119 -3.18405853
H -1.94895633 1.77295220 -4.31252194
H -1.27703846 4.11543991 -3.86454951
C 1.91727265 0.35743259 0.63346509
C 2.38332946 1.68451911 0.62203126
C 2.86142301 -0.54092919 1.16503775
C 3.65228367 2.07882772 1.06840537
C 4.10888848 -0.18566143 1.62559240
H 2.57673464 -1.58524165 1.23113565
C 4.52244157 1.14194443 1.57386987
H 4.77343011 -0.93984644 2.02783535
H 5.50385905 1.43105984 1.92267749
H -3.73366840 2.66621385 2.03557543
H -5.09075949 -1.00537630 -1.07727437
H 0.50415069 -5.42241711 1.72669173
H 3.13687004 -4.20046695 -2.27504535
H 0.13360468 4.59028830 -1.89085524
H 3.95243631 3.11960098 1.00403518
P -3.31247028 0.82988062 0.00949581
P 1.34413281 3.00785645 0.02188189
P 1.79459465 -3.68382400 0.03155117
C -3.71154551 2.09224262 -1.23636942
C -3.47689391 3.43299336 -0.96144509
C -4.31675369 1.72479499 -2.43351087
C -3.84637202 4.40159052 -1.87728661
H -3.00885022 3.70611458 -0.02722968
C -4.69254906 2.69770367 -3.34055258
H -4.47796342 0.67913313 -2.65281803
C -4.45934727 4.03571855 -3.06379077
H -3.65888785 5.44433468 -1.66458759
H -5.16637076 2.41354970 -4.26893008
H -4.75220309 4.79294077 -3.77620788
C -4.87892494 0.61319710 0.90808629
C -4.87645849 -0.36766350 1.89734556
C -6.02675458 1.35717678 0.67087524
C -6.01627850 -0.60286070 2.63982063
H -3.97324368 -0.94030430 2.06439132
C -7.16726787 1.11580909 1.41887342
H -6.03056213 2.11947499 -0.09675253
C -7.16371559 0.13928214 2.40020235
H -6.01508717 -1.36501257 3.40490306
H -8.06168503 1.69259622 1.23283104
H -8.05656380 -0.04530502 2.97909765
C 0.65967513 4.03002627 1.35976077
C -0.52739872 4.72322726 1.16397805
C 1.35929222 4.17301075 2.55332830
C -1.01358377 5.55469540 2.15676221
H -1.05869029 4.60690515 0.23080941
C 0.87345973 5.01273825 3.53777653
H 2.27247480 3.61607215 2.70737236
C -0.31169291 5.70408327 3.34106629
H -1.94036820 6.08954816 2.00647018
H 1.41741358 5.12710523 4.46414417
H -0.69029268 6.35623633 4.11435685
C 2.47304033 4.14045663 -0.84247695
C 3.17490297 3.59459868 -1.91480224
C 2.65430059 5.47374209 -0.50000617
C 4.05296936 4.37856560 -2.63630478
H 3.02117375 2.55247779 -2.16401171
C 3.53687603 6.25470594 -1.22760386
H 2.10979449 5.89874319 0.33249098
C 4.23456863 5.71036819 -2.29239751
H 4.59838636 3.95542703 -3.46675977
H 3.67965323 7.29181264 -0.96068804
H 4.92187014 6.32415906 -2.85565653
C 3.38484908 -3.76007184 0.93513452
C 4.58771865 -3.50010188 0.28843139
C 3.38842947 -4.08453591 2.28932023
C 5.78040713 -3.58971376 0.98369447
H 4.58803432 -3.20788860 -0.75118818
C 4.58378205 -4.17021402 2.97882580
H 2.45138836 -4.25312397 2.80203123
C 5.78243382 -3.93122636 2.32608799
H 6.71185416 -3.38573894 0.47615317
H 4.58000806 -4.42046467 4.02979187
H 6.71525990 -3.99902440 2.86642112
C 1.60770304 -5.39832565 -0.56234029
C 2.31983750 -6.45121395 0.00294637
C 0.70862546 -5.65611830 -1.59290059
C 2.12648996 -7.74355461 -0.45259334
H 3.02824119 -6.26127586 0.79779606
C 0.51860466 -6.94845492 -2.04391231
H 0.16937377 -4.83737239 -2.04690268
C 1.22476909 -7.99525384 -1.47283395
H 2.68306895 -8.55608372 -0.00854702
H -0.18045365 -7.14094713 -2.84442993
H 1.07567411 -9.00516816 -1.82511716
130
conf 101  E=-192.86394739 Eh  dE=0.618 kcal/mol  pop=0.45%
Ir 0.14974754 0.36975415 0.00650914
C -1.47594592 1.54067964 0.62393437
C -1.27069655 2.83218270 1.15076738
C -2.83944968 1.20397613 0.53391154
C -2.28177966 3.68423996 1.53698043
H -0.24935744 3.17715973 1.27505434
C -3.88989994 2.05398501 0.90722786
C -3.61342045 3.30293867 1.41033065
H -2.04470444 4.66046090 1.94215403
H -4.41248550 3.97099054 1.69981343
C -0.93585022 -0.70248934 -1.42868362
C -2.26904518 -1.14010218 -1.29350250
C -0.33229646 -1.17805419 -2.61700292
C -2.91300880 -2.01335180 -2.18119607
C -0.95728942 -2.00748449 -3.52305380
H 0.66588606 -0.83871628 -2.86003922
C -2.24920406 -2.46902387 -3.29445805
H -0.44091929 -2.30346747 -4.42727044
H -2.73047534 -3.14270457 -3.98944854
C -0.44089507 -1.14219306 1.34142302
C -1.20496077 -0.82851294 2.49265594
C -0.14780966 -2.51786805 1.25564577
C -1.60427884 -1.75131805 3.43562739
H -1.44027628 0.20901840 2.68855548
C -0.56909270 -3.47958100 2.18551286
C -1.30824176 -3.10023999 3.28024877
H -2.14957799 -1.42402780 4.31129871
H -1.62657556 -3.82803691 4.01320398
C 1.86792404 -0.61026864 -0.67540873
C 2.13506193 -1.99104275 -0.67835663
C 2.90597674 0.13668326 -1.26737959
C 3.30194932 -2.57155022 -1.19574510
C 4.05415108 -0.40317264 -1.80239041
H 2.78614855 1.21167818 -1.33128751
C 4.26793406 -1.77721547 -1.76616639
H 4.79597905 0.24324482 -2.25423412
H 5.16965132 -2.21006839 -2.17604715
C 0.36768217 2.00958817 -1.35468258
C -0.50560030 2.09673929 -2.46361576
C 1.16213370 3.16834273 -1.22999586
C -0.56155270 3.15840778 -3.34091431
H -1.18194103 1.27562564 -2.65535814
C 1.11564904 4.26994134 -2.09703758
C 0.25520731 4.26836568 -3.16700763
H -1.25586139 3.13299712 -4.17148041
H 0.20946474 5.11008046 -3.84394772
C 1.43639878 1.14173712 1.54397471
C 2.16719017 2.34618084 1.54904725
C 1.65124928 0.41105144 2.73637043
C 2.91790097 2.82995488 2.63147893
C 2.38599241 0.85565917 3.81506186
H 1.21143427 -0.56974004 2.83429653
C 3.00823896 2.09709346 3.78938554
H 2.47463756 0.23099505 4.69506672
H 3.56315619 2.46538118 4.64075696
H -4.91954386 1.73332606 0.78765362
H -3.94109196 -2.31084672 -2.00076086
H -0.28384649 -4.51910633 2.05812816
H 3.44686872 -3.64540270 -1.13785007
H 1.74194922 5.13612143 -1.91069099
H 3.42627668 3.78463186 2.55327587
P -3.35233154 -0.39768580 -0.07609819
P 2.36303437 3.35793631 0.08616606
P 0.97119971 -3.15792189 0.01210024
C -4.89374018 -0.09264026 -0.99333691
C -4.80431766 0.80391865 -2.05576661
C -6.10187758 -0.71813103 -0.71509336
C -5.91581690 1.07374843 -2.82902161
H -3.85488413 1.28287592 -2.25725178
C -7.21343624 -0.44336450 -1.49429275
H -6.17527470 -1.41647545 0.10761870
C -7.12240568 0.44899829 -2.54871430
H -5.84586595 1.76963723 -3.65185581
H -8.15317451 -0.92994514 -1.27644421
H -7.99222649 0.65828158 -3.15370018
C -3.88430844 -1.53468226 1.23787537
C -3.75312158 -2.90538402 1.06141699
C -4.49752404 -1.03437901 2.38186882
C -4.22803838 -3.77326982 2.02817602
H -3.27768179 -3.27734181 0.16575559
C -4.97635665 -1.90700289 3.34052872
H -4.58252695 0.03428074 2.51936209
C -4.84310823 -3.27571174 3.16480889
H -4.12134454 -4.84034307 1.89498124
H -5.45356186 -1.52102856 4.22967901
H -5.21620400 -3.95433096 3.91777485
C 2.35627384 5.10647296 0.59108251
C 1.13270653 5.74919290 0.75703875
C 3.53520723 5.78700501 0.87855400
C 1.09187225 7.05653026 1.20362254
H 0.21966971 5.22160799 0.51978835
C 3.48786091 7.09540940 1.32621512
H 4.49003452 5.29504750 0.74738120
C 2.26836222 7.73076695 1.49117236
H 0.14051055 7.55289495 1.32763309
H 4.40641422 7.61921602 1.54781509
H 2.23530432 8.75180056 1.84153513
C 4.07717962 3.11080897 -0.50077737
C 4.93352901 2.23893822 0.16367053
C 4.52536073 3.78462501 -1.63300158
C 6.22834096 2.06182692 -0.28815317
H 4.57873949 1.69366456 1.02587087
C 5.82039667 3.60100762 -2.08181489
H 3.85911406 4.44831982 -2.16491536
C 6.67568319 2.74411271 -1.40762147
H 6.88789288 1.38316643 0.23248704
H 6.16379368 4.12661334 -2.96095957
H 7.68699154 2.60280541 -1.75970476
C 2.01339827 -4.36314428 0.88641167
C 2.81629567 -3.84009878 1.89753006
C 2.05840133 -5.71929861 0.59387242
C 3.65919939 -4.67011119 2.60909300
H 2.76904789 -2.77881177 2.10598412
C 2.90660854 -6.54663319 1.31140976
H 1.43631139 -6.12569593 -0.19245366
C 3.70523357 -6.02522910 2.31500576
H 4.28393168 -4.26436691 3.39098401
H 2.94476845 -7.60196232 1.08339573
H 4.36676986 -6.67501878 2.86859492
C 0.12252734 -4.14902782 -1.25404518
C -1.08842916 -4.75957641 -0.95125460
C 0.70808692 -4.35120667 -2.49863087
C -1.70751287 -5.56984708 -1.88548596
H -1.53458977 -4.59974179 0.01957938
C 0.09105843 -5.17296065 -3.42389288
H 1.63808158 -3.85637203 -2.73868765
C -1.11530521 -5.78263913 -3.11935814
H -2.65178091 -6.03985815 -1.65046233
H 0.54947337 -5.33497959 -4.38854283
H -1.59667788 -6.42095621 -3.84566262
130
conf 102  E=-192.86393369 Eh  dE=0.627 kcal/mol  pop=0.44%
Ir 0.25924542 0.27436078 -0.05913062
C -1.22028251 1.54749950 0.68701629
C -0.85260339 2.80667255 1.19701805
C -2.60651872 1.32121573 0.76902956
C -1.72782141 3.72661189 1.72832973
H 0.20039570 3.06718886 1.18716094
C -3.52786526 2.24033182 1.29020477
C -3.09024401 3.44931552 1.77703896
H -1.35797665 4.67069026 2.10814624
H -3.78826038 4.16644041 2.18537376
C -1.03760356 -0.72895536 -1.36991402
C -2.40386333 -1.00244197 -1.14910801
C -0.57013970 -1.28672296 -2.58468681
C -3.20871861 -1.76881075 -2.00422068
C -1.35404392 -2.00579402 -3.46209825
H 0.45243047 -1.09175657 -2.88040429
C -2.68386324 -2.28154252 -3.16613058
H -0.93304230 -2.35974904 -4.39425248
H -3.29600084 -2.86175765 -3.84204975
C -0.33086999 -1.19057997 1.31550103
C -0.92683038 -0.84167835 2.55043997
C -0.22756721 -2.58635431 1.14336009
C -1.36108109 -1.75659918 3.48587530
H -0.99728204 0.20630527 2.81047789
C -0.70129061 -3.53455982 2.06077169
C -1.28237030 -3.12164649 3.23594027
H -1.76664596 -1.41219645 4.42842384
H -1.64143396 -3.84100317 3.95839839
C 1.88186884 -0.82258011 -0.81826368
C 2.00755906 -2.22230817 -0.87285186
C 3.00678664 -0.16109549 -1.35304344
C 3.11284197 -2.89887391 -1.40903810
C 4.10022588 -0.79680043 -1.89813483
H 3.01306612 0.92291872 -1.35228138
C 4.16321896 -2.18571641 -1.93505276
H 4.91940687 -0.21456203 -2.30185651
H 5.01910435 -2.69259229 -2.35814040
C 0.58952790 1.81379440 -1.51548467
C -0.12371148 1.81464370 -2.73581604
C 1.50631956 2.88301454 -1.45880412
C 0.11489813 2.67366466 -3.78842648
H -0.91362025 1.09181894 -2.87625377
C 1.78134066 3.76429769 -2.51529024
C 1.10283715 3.64616466 -3.70393815
H -0.46931248 2.58374982 -4.69552442
H 1.31847704 4.30213528 -4.53567088
C 1.74759627 0.93614266 1.33777112
C 2.53619020 2.10415450 1.32108063
C 2.13560132 0.06682798 2.38418159
C 3.55003230 2.40047362 2.24486293
C 3.10957822 0.34141781 3.31954503
H 1.63814874 -0.88747943 2.47844618
C 3.82985258 1.52762944 3.26680756
H 3.32366155 -0.37952305 4.09865440
H 4.60008433 1.74938774 3.99220351
H -4.58663408 2.00337260 1.29978470
H -4.25413658 -1.93299289 -1.76237762
H -0.58342652 -4.59408848 1.85661914
H 3.14655921 -3.98331632 -1.39818410
H 2.53393110 4.53620100 -2.39268338
H 4.13509549 3.30782643 2.13907018
P -3.31467931 -0.20606105 0.17244269
P 2.36611297 3.34733566 0.04203076
P 0.74545941 -3.28889215 -0.18803246
C -4.89522886 0.28327679 -0.58357629
C -6.13699464 -0.17295148 -0.16177484
C -4.80760154 1.17963575 -1.64621677
C -7.28377377 0.26881449 -0.80058776
H -6.20861709 -0.86835183 0.66359022
C -5.95427729 1.61576022 -2.27946218
H -3.83050457 1.52554059 -1.95816401
C -7.19449536 1.16031831 -1.85597899
H -8.25006411 -0.08446253 -0.47077932
H -5.88605712 2.31169288 -3.10236903
H -8.09236107 1.50201217 -2.34934451
C -3.83182363 -1.32582449 1.50770822
C -4.20874597 -0.80596682 2.74152478
C -3.92996258 -2.69041994 1.27047477
C -4.68741205 -1.65026453 3.72550532
H -4.11183981 0.25425531 2.92688435
C -4.40101370 -3.53167465 2.26248202
H -3.63949528 -3.08084438 0.30608367
C -4.78464441 -3.01237202 3.48753009
H -4.98278304 -1.24711707 4.68330108
H -4.47251130 -4.59421273 2.07946604
H -5.15595795 -3.66953528 4.26015283
C 1.61649910 4.90969183 0.63294166
C 2.03619847 5.47602014 1.83285597
C 0.61549914 5.53348321 -0.10533229
C 1.47644890 6.66098205 2.27466265
H 2.79486665 4.98691609 2.42568767
C 0.06304049 6.72063383 0.33911344
H 0.26428993 5.08148735 -1.02130989
C 0.49457944 7.28964530 1.52601232
H 1.80685051 7.09520309 3.20705272
H -0.71159144 7.19969175 -0.24164993
H 0.06108556 8.21660487 1.87170029
C 4.06335323 3.85573588 -0.38246013
C 4.40154785 5.18804362 -0.59443358
C 5.03622543 2.86894504 -0.51728643
C 5.69967170 5.52708130 -0.93377834
H 3.65228226 5.96102263 -0.48538445
C 6.33044472 3.21355272 -0.85747877
H 4.77440576 1.83591385 -0.33678456
C 6.66458034 4.54259664 -1.06587482
H 5.95843794 6.56394391 -1.09239966
H 7.08275202 2.44472353 -0.95534359
H 7.67746881 4.81148879 -1.32688080
C 1.68619725 -4.63211379 0.60161235
C 2.57734425 -4.24346306 1.59919692
C 1.56720320 -5.97332795 0.26324466
C 3.34355639 -5.18975556 2.24977771
H 2.66152932 -3.19263271 1.84568817
C 2.33977372 -6.91811283 0.91834691
H 0.87727443 -6.27899988 -0.51157801
C 3.22588839 -6.52925608 1.90842893
H 4.03622996 -4.88710730 3.02132018
H 2.24959170 -7.96109647 0.65174902
H 3.82754031 -7.27016436 2.41379157
C -0.24128248 -4.16587556 -1.43782480
C -1.52246101 -4.60016347 -1.12526081
C 0.31554856 -4.47637373 -2.67407347
C -2.24397091 -5.34133188 -2.04389526
H -1.94190005 -4.35550649 -0.16044534
C -0.40677171 -5.22459856 -3.58432094
H 1.30496271 -4.11846882 -2.92023029
C -1.68534445 -5.65865863 -3.27048003
H -3.24283251 -5.67520359 -1.80216563
H 0.02555091 -5.46881060 -4.54381631
H -2.24753836 -6.24122355 -3.98547430
130
conf 103  E=-192.86393215 Eh  dE=0.628 kcal/mol  pop=0.44%
Ir 0.18499312 -0.31534607 -0.05207585
C -0.75538727 0.83096932 1.43009949
C -0.04818022 1.28877500 2.56735829
C -2.09522770 1.27033862 1.41874556
C -0.59928333 2.07276071 3.55853825
H 0.97277929 0.95813706 2.70654824
C -2.66495156 2.10208607 2.39307864
C -1.91330142 2.51650200 3.46651992
H -0.00587103 2.34599055 4.42153025
H -2.34224776 3.14763909 4.23205002
C -1.53643315 -1.39923622 -0.56582142
C -2.87365451 -0.97537704 -0.46190181
C -1.42628944 -2.70432341 -1.08793104
C -3.98132139 -1.74586521 -0.84388118
C -2.49274694 -3.48034740 -1.48451463
H -0.43590227 -3.13215897 -1.20150208
C -3.79376213 -3.00242436 -1.36835144
H -2.31960850 -4.47055912 -1.88751083
H -4.63709197 -3.60560356 -1.67418423
C 0.45570741 -1.89145063 1.36638797
C -0.24876784 -1.85806241 2.59263157
C 1.25372889 -3.04701391 1.26621344
C -0.09653973 -2.76992934 3.61480158
H -0.95610714 -1.05987512 2.76405192
C 1.42903207 -3.99215551 2.28709155
C 0.77419842 -3.84442648 3.48432856
H -0.66080346 -2.64727123 4.53066538
H 0.91412701 -4.55453854 4.28713755
C 1.27999975 -1.21609840 -1.65173841
C 1.87105080 -2.49344514 -1.69830044
C 1.46779197 -0.51977006 -2.86834914
C 2.45559031 -3.06815845 -2.83598138
C 2.04559490 -1.05319078 -4.00084183
H 1.13249018 0.50468363 -2.93750130
C 2.52056701 -2.35867908 -4.00962334
H 2.12498900 -0.44989577 -4.89636084
H 2.94803224 -2.79472877 -4.90154572
C -0.40369232 1.24095580 -1.33109299
C -1.24496503 1.00328469 -2.44466011
C -0.08897032 2.60751116 -1.18104701
C -1.70366310 1.98756777 -3.29436014
H -1.50146012 -0.01977294 -2.68706108
C -0.57731762 3.63001042 -2.00681997
C -1.39730353 3.32410405 -3.06644994
H -2.30774315 1.72042872 -4.15182582
H -1.77127613 4.09996783 -3.71953694
C 2.02529751 0.55237658 0.44810147
C 2.35279232 1.92032902 0.47242693
C 3.10847689 -0.26448085 0.82902247
C 3.60806657 2.42807989 0.83619999
C 4.34777216 0.20276935 1.20609237
H 2.96063008 -1.33924669 0.84290054
C 4.61214616 1.56826458 1.21335921
H 5.12327337 -0.49563694 1.49534655
H 5.58338647 1.94454892 1.50246050
H -3.70716315 2.39523009 2.31504210
H -4.98619085 -1.35758750 -0.71472411
H 2.07351016 -4.84814793 2.12713590
H 2.85690768 -4.07366414 -2.78748292
H -0.28476738 4.65968525 -1.82639138
H 3.79234387 3.49693780 0.80910038
P -3.28047049 0.61654792 0.24388510
P 1.15726360 3.15592810 -0.01618678
P 2.08471991 -3.52741470 -0.24936556
C -3.85959377 1.83823017 -0.97126316
C -4.50647157 1.41840585 -2.12883415
C -3.72636439 3.19421029 -0.70387005
C -5.02139419 2.35438410 -3.00578550
H -4.58958431 0.36236668 -2.34225473
C -4.23613443 4.12639814 -1.58975783
H -3.22575859 3.50731336 0.20060287
C -4.88789885 3.70781424 -2.73751221
H -5.52576676 2.02964772 -3.90431508
H -4.12796030 5.18165210 -1.38382771
H -5.28894304 4.43629280 -3.42684315
C -4.76958776 0.28996946 1.23757707
C -5.99459016 0.91255965 1.03927743
C -4.62695904 -0.65790679 2.24834160
C -7.07041536 0.58416606 1.84753281
H -6.10913214 1.64847956 0.25481182
C -5.70258784 -0.98031703 3.05142276
H -3.66548357 -1.13593515 2.38520864
C -6.92671132 -0.35911562 2.85054888
H -8.02437864 1.06660360 1.69102274
H -5.59169750 -1.71681593 3.83341714
H -7.76965269 -0.61220730 3.47645636
C 0.49285157 4.11866314 1.37527191
C 1.26331099 4.31258407 2.51698983
C -0.75097565 4.72592601 1.26615966
C 0.79019095 5.11671649 3.53660591
H 2.22159722 3.82109810 2.60521217
C -1.22297119 5.52262796 2.29389123
H -1.33787559 4.57132378 0.37261087
C -0.45158834 5.72278214 3.42627682
H 1.38849921 5.26963638 4.42308457
H -2.19310670 5.99124685 2.21113368
H -0.81927268 6.34788570 4.22673778
C 2.13597985 4.38404892 -0.93509450
C 2.25474257 5.71916945 -0.57314126
C 2.80072517 3.90713880 -2.06245787
C 3.03833279 6.56976305 -1.33531229
H 1.74022645 6.09236540 0.30211238
C 3.57961240 4.76002172 -2.81873387
H 2.69844254 2.86240680 -2.32663475
C 3.69970676 6.09326954 -2.45431291
H 3.13316006 7.60800224 -1.05186462
H 4.09679998 4.38938226 -3.69130551
H 4.31102232 6.76085194 -3.04334477
C 3.89055274 -3.69842793 -0.03901891
C 4.72753464 -2.72990048 -0.58736766
C 4.44796770 -4.75562034 0.67454616
C 6.09704849 -2.81823214 -0.42195273
H 4.30058734 -1.90978239 -1.14635327
C 5.81884058 -4.83746189 0.83945251
H 3.81594655 -5.52887415 1.08848152
C 6.64602538 -3.86966595 0.29372607
H 6.73691947 -2.06314975 -0.85441639
H 6.24323595 -5.66230763 1.39327990
H 7.71613598 -3.93811920 0.42308411
C 1.53001677 -5.23158920 -0.58218629
C 0.24643610 -5.60282255 -0.18989331
C 2.33718358 -6.15482332 -1.24045780
C -0.22072689 -6.87633470 -0.45521282
H -0.37820321 -4.89269786 0.33297606
C 1.86404459 -7.42796715 -1.50337013
H 3.34416925 -5.88832509 -1.53269915
C 0.58540422 -7.79075865 -1.11380323
H -1.21616673 -7.15678533 -0.14357502
H 2.49807289 -8.14054973 -2.01074875
H 0.22096462 -8.78669970 -1.31806938
130
conf 104  E=-192.86392227 Eh  dE=0.634 kcal/mol  pop=0.43%
Ir 0.24754058 0.26664692 -0.07359070
C -1.22690396 1.53097841 0.68624975
C -0.84750595 2.76812703 1.24168265
C -2.62027425 1.33982024 0.69756327
C -1.72562164 3.70646314 1.73476832
H 0.21303253 2.98818720 1.30081406
C -3.54269186 2.28107786 1.17530989
C -3.09685865 3.47351441 1.69462049
H -1.35098632 4.63180700 2.15385474
H -3.79555455 4.21005375 2.06588084
C -1.03808654 -0.76894350 -1.36942764
C -2.40464084 -1.04363998 -1.15778669
C -0.55470547 -1.35227150 -2.56610992
C -3.19400756 -1.84384527 -1.99606471
C -1.32051351 -2.11294176 -3.42372531
H 0.46418215 -1.14601563 -2.86543547
C -2.64943845 -2.39627188 -3.13037823
H -0.88638523 -2.49237997 -4.33980822
H -3.24688627 -3.00865291 -3.79090515
C -0.29963115 -1.17505241 1.34224096
C -0.91104190 -0.80472217 2.56372389
C -0.17590612 -2.57196669 1.20596394
C -1.35142373 -1.70278627 3.51219622
H -0.99806164 0.24781596 2.79858800
C -0.64391636 -3.50496494 2.14195544
C -1.25008268 -3.07249579 3.29704622
H -1.77911168 -1.34129207 4.43854938
H -1.61103827 -3.77895847 4.03124044
C 1.86109917 -0.82432900 -0.85283949
C 2.02107407 -2.22117477 -0.85989848
C 2.95259268 -0.15318792 -1.43900596
C 3.13191125 -2.88663306 -1.39775335
C 4.05019398 -0.77748304 -1.98737338
H 2.92839942 0.93053787 -1.45763372
C 4.14949239 -2.16487024 -1.97444558
H 4.84741357 -0.19019396 -2.42589465
H 5.01045415 -2.66389768 -2.39659279
C 0.43057475 1.85117133 -1.51215055
C -0.41969992 1.88313494 -2.64225627
C 1.23413419 3.00719538 -1.44235881
C -0.44195708 2.88872790 -3.58523386
H -1.10766707 1.06495181 -2.79807245
C 1.25086617 4.03522615 -2.39839458
C 0.41221521 3.97958175 -3.48433754
H -1.12652047 2.82362665 -4.42180962
H 0.41689405 4.76008339 -4.23246811
C 1.83600304 0.91117775 1.21766559
C 2.75026604 1.96416127 1.00480875
C 2.28660860 0.03749085 2.23534342
C 3.98826255 2.09967783 1.64878839
C 3.48541806 0.15896263 2.90483392
H 1.65806339 -0.79394818 2.52120059
C 4.37008944 1.18564568 2.60061331
H 3.74907315 -0.56339105 3.66772182
H 5.32641678 1.26764103 3.09814867
H -4.60666178 2.07390975 1.12508221
H -4.24206441 -2.00411479 -1.76354135
H -0.50510751 -4.56700467 1.96584440
H 3.19747490 -3.96841033 -1.34550332
H 1.94194073 4.86553934 -2.28650477
H 4.65210791 2.91563312 1.38318668
P -3.33205802 -0.19160688 0.11554394
P 2.35369369 3.32703190 -0.08536451
P 0.79955860 -3.29306155 -0.11216014
C -4.89271074 0.27437832 -0.69051418
C -6.14356237 -0.17257115 -0.28639226
C -4.77706127 1.12642295 -1.78650584
C -7.27271541 0.23297616 -0.97834832
H -6.23416246 -0.83344711 0.56520871
C -5.90647813 1.52590881 -2.47273132
H -3.79304964 1.46651725 -2.08280571
C -7.15601167 1.07816021 -2.06879689
H -8.24664405 -0.11351532 -0.66427768
H -5.81744466 2.18587294 -3.32285266
H -8.04006583 1.38943538 -2.60535113
C -3.85664099 -1.26597147 1.48403819
C -4.23459275 -0.70562401 2.69953559
C -3.94263068 -2.63923421 1.29592169
C -4.70307685 -1.51847705 3.71445357
H -4.14680671 0.36156076 2.84595871
C -4.40421600 -3.44836528 2.31836525
H -3.64927315 -3.06223439 0.34625487
C -4.78912177 -2.88883746 3.52530937
H -4.99957316 -1.08408538 4.65817756
H -4.46685073 -4.51733188 2.17388329
H -5.15307796 -3.52121005 4.32169411
C 1.76295110 4.73357474 0.92570442
C 2.21531618 4.86634813 2.23608311
C 0.87793956 5.67195938 0.40693795
C 1.80655722 5.93942776 3.00629358
H 2.87510568 4.11811198 2.65353048
C 0.47358889 6.74385886 1.18253478
H 0.48926120 5.55028047 -0.59331147
C 0.94192374 6.88481859 2.47858850
H 2.16151287 6.03651804 4.02204533
H -0.21562484 7.46904552 0.77489628
H 0.62431359 7.72305800 3.08123640
C 3.89598430 3.98666010 -0.80135289
C 4.56219767 5.07075012 -0.23905595
C 4.42379519 3.37101492 -1.93243341
C 5.74395407 5.52476293 -0.79768905
H 4.15559562 5.56365021 0.63351128
C 5.60452843 3.82807917 -2.48648606
H 3.89692859 2.54227467 -2.38333977
C 6.26842051 4.90397803 -1.91896294
H 6.25559500 6.36735224 -0.35558386
H 6.00723340 3.34658322 -3.36542924
H 7.19054623 5.26151256 -2.35263596
C 1.78296509 -4.58185455 0.71208278
C 2.69599676 -4.12800609 1.66137800
C 1.66254878 -5.94144905 0.45864119
C 3.48371556 -5.02983770 2.34844278
H 2.77834036 -3.06379414 1.84131416
C 2.45669613 -6.84092856 1.15060737
H 0.95368508 -6.29551912 -0.27794101
C 3.36459357 -6.38821040 2.09263559
H 4.19310144 -4.67799843 3.08277778
H 2.36547293 -7.89899015 0.95186912
H 3.98161633 -7.09442161 2.62832897
C -0.20408361 -4.22408571 -1.30790769
C -1.49102686 -4.61957992 -0.96802838
C 0.33795903 -4.60140851 -2.53210273
C -2.23098424 -5.39201637 -1.84504471
H -1.90057880 -4.31951720 -0.01471131
C -0.40355237 -5.37940668 -3.40116098
H 1.33159852 -4.27303090 -2.80128589
C -1.68642878 -5.77726361 -3.05845075
H -3.23362818 -5.69674685 -1.58125939
H 0.01735621 -5.67584804 -4.35095658
H -2.26323985 -6.38420333 -3.74080394
130
conf 105  E=-192.86390666 Eh  dE=0.644 kcal/mol  pop=0.43%
Ir -0.34437792 0.07452716 -0.01801902
C -1.71623353 1.05332195 1.31126505
C -1.20250297 1.84591184 2.36421148
C -3.09142843 1.29587927 1.11058118
C -1.92933438 2.77411377 3.07890650
H -0.16367802 1.73119117 2.63964295
C -3.84996358 2.25241122 1.79949619
C -3.26692623 3.00812409 2.78771395
H -1.44836424 3.34080874 3.86672436
H -3.83436473 3.75819495 3.32094303
C -1.79714778 -0.58047069 -1.45878174
C -3.19919027 -0.44783758 -1.41222375
C -1.38995410 -1.33480778 -2.58445438
C -4.08635488 -0.92107472 -2.39249296
C -2.23805562 -1.83036408 -3.55179859
H -0.33921895 -1.54713986 -2.71673935
C -3.60753457 -1.60830613 -3.48067371
H -1.83148366 -2.39211962 -4.38346177
H -4.27619063 -1.97010129 -4.24935627
C -0.63723462 -1.84421015 0.74074271
C -1.88659406 -2.17620883 1.29962506
C 0.27548990 -2.91333201 0.78451554
C -2.19963001 -3.40219715 1.84144578
H -2.65034867 -1.40642946 1.31946072
C -0.01526533 -4.17738731 1.31634230
C -1.25695371 -4.42574490 1.85182893
H -3.18314809 -3.57382430 2.26071781
H -1.49493197 -5.39447972 2.26821388
C 1.18033119 -0.47005413 -1.34718249
C 2.11342642 -1.51297238 -1.17795031
C 1.39364555 0.25308105 -2.54556090
C 3.16152034 -1.79139070 -2.06679670
C 2.39643339 -0.02361307 -3.45015713
H 0.69497957 1.03706594 -2.80561171
C 3.31533249 -1.03744585 -3.20559557
H 2.46985183 0.55046765 -4.36479543
H 4.11238728 -1.24655765 -3.90504973
C -0.27469672 2.04084145 -0.75122782
C -1.43428114 2.64084855 -1.28038886
C 0.82794358 2.91318474 -0.74828056
C -1.49969393 3.92988052 -1.75883466
H -2.34173249 2.04790422 -1.30822814
C 0.79232710 4.23400556 -1.21787736
C -0.37446226 4.74719180 -1.73190068
H -2.43136208 4.31790859 -2.15149097
H -0.41739687 5.76375347 -2.09688573
C 1.20490200 0.34051755 1.36699126
C 2.34544497 1.15078672 1.19498880
C 1.23933566 -0.38559377 2.58159019
C 3.42614415 1.19968249 2.08676055
C 2.27503330 -0.32747695 3.48955221
H 0.38028099 -0.98749861 2.84683689
C 3.40234505 0.44534997 3.23519309
H 2.21239986 -0.88627678 4.41455125
H 4.22510478 0.47643080 3.93559567
H -4.89151972 2.41009812 1.54036448
H -5.15079338 -0.72802328 -2.29625585
H 0.73309737 -4.96279815 1.29414791
H 3.83473871 -2.61963360 -1.86930147
H 1.67930821 4.85640682 -1.16170611
H 4.26924526 1.85219746 1.88312111
P -4.05102748 0.30930710 -0.03571042
P 2.40858178 2.39502354 -0.09255202
P 1.92590641 -2.72996664 0.12358527
C -5.40235356 1.32560785 -0.71990623
C -5.14919230 2.11088246 -1.84082840
C -6.66710760 1.34843856 -0.14087114
C -6.14299050 2.91479270 -2.36647490
H -4.17557877 2.07700316 -2.30827141
C -7.65860527 2.15539506 -0.67071875
H -6.87953145 0.73103717 0.72143686
C -7.39840959 2.94173832 -1.78058678
H -5.93911162 3.52001231 -3.23761028
H -8.63822034 2.16834966 -0.21534595
H -8.17460774 3.57011484 -2.19166831
C -4.95465761 -0.97205425 0.90886574
C -5.26963742 -2.19845310 0.33390381
C -5.32733213 -0.71545445 2.22601504
C -5.97165783 -3.14355221 1.05993467
H -4.94610319 -2.42068041 -0.67242915
C -6.02934655 -1.66435067 2.94641893
H -5.05005495 0.22188756 2.68898571
C -6.36004292 -2.87671372 2.36266145
H -6.21118848 -4.09528049 0.60785946
H -6.31586134 -1.45843118 3.96760360
H -6.90814934 -3.61706201 2.92676161
C 3.06146300 3.86673691 0.75307206
C 2.26931873 4.37363207 1.78083931
C 4.27283301 4.47197885 0.44697380
C 2.68772580 5.47882395 2.49451673
H 1.32645862 3.88975818 2.00134604
C 4.68652546 5.58101582 1.16624301
H 4.88920314 4.07982880 -0.35091163
C 3.89813021 6.08340589 2.18736855
H 2.07350551 5.87254014 3.29070509
H 5.62838459 6.05334624 0.92731791
H 4.22630386 6.94799707 2.74524214
C 3.64830386 2.06460410 -1.37981318
C 4.69071369 1.18209004 -1.13006248
C 3.59188469 2.74988567 -2.58893633
C 5.67085556 0.98337724 -2.08564131
H 4.72501548 0.65983575 -0.18535860
C 4.57890085 2.55383676 -3.53619662
H 2.76796650 3.42123128 -2.78457869
C 5.61854853 1.67173172 -3.28605798
H 6.47918128 0.29242776 -1.89374392
H 4.53758486 3.08700954 -4.47490657
H 6.38628840 1.51832247 -4.03013342
C 3.21013401 -2.60245432 1.40356187
C 3.03432832 -3.22354409 2.63544569
C 4.40026556 -1.94431145 1.12242013
C 4.05116316 -3.19277586 3.57130024
H 2.09851541 -3.71641869 2.85693643
C 5.41064893 -1.90899918 2.06631174
H 4.52539184 -1.46840090 0.16088811
C 5.23945543 -2.53776729 3.28812435
H 3.91768038 -3.67826768 4.52708450
H 6.33466032 -1.39293954 1.84820465
H 6.03071934 -2.51401750 4.02297280
C 2.28070005 -4.32367894 -0.67586619
C 3.35959379 -5.13584306 -0.35362047
C 1.39066456 -4.71090951 -1.67495236
C 3.54283031 -6.33191715 -1.02763748
H 4.05183716 -4.83629382 0.42184891
C 1.57876225 -5.90458895 -2.34274920
H 0.55410636 -4.06532207 -1.90975590
C 2.65600520 -6.71657651 -2.01865761
H 4.38119303 -6.96523957 -0.77610250
H 0.88695974 -6.20614967 -3.11516550
H 2.80325647 -7.65103013 -2.53973212
130
conf 106  E=-192.86389738 Eh  dE=0.650 kcal/mol  pop=0.42%
Ir 0.26518257 0.28060264 -0.01307568
C -1.23972348 1.58091755 0.64220186
C -0.89154418 2.83018514 1.19463072
C -2.62818242 1.35758046 0.66147268
C -1.79070604 3.73768324 1.70884747
H 0.15888258 3.09116659 1.24391932
C -3.57159555 2.26830815 1.15831677
C -3.15448709 3.46511662 1.69037474
H -1.43621810 4.67008331 2.13001792
H -3.86851036 4.17457887 2.08447061
C -0.96208508 -0.83605224 -1.30291045
C -2.35453130 -1.02774243 -1.20124222
C -0.41409302 -1.48157943 -2.43874143
C -3.12093702 -1.77982340 -2.10338539
C -1.15193243 -2.19844239 -3.35635075
H 0.64025533 -1.35504385 -2.64554021
C -2.51968886 -2.37602098 -3.18591702
H -0.66435732 -2.62443215 -4.22362095
H -3.10025184 -2.94455199 -3.89864310
C -0.35430937 -1.06469157 1.46865382
C -1.00254434 -0.62782184 2.64833623
C -0.30302338 -2.47043392 1.37556448
C -1.55550284 -1.47385603 3.58532046
H -1.03004928 0.43309769 2.85887250
C -0.89198682 -3.34996831 2.29479868
C -1.54056904 -2.85203567 3.39885451
H -2.00546905 -1.06492866 4.48095758
H -1.99896382 -3.51579455 4.11841999
C 1.92227567 -0.85825701 -0.60561493
C 2.07972760 -2.25069422 -0.47556305
C 3.06067302 -0.23374861 -1.15469860
C 3.23981949 -2.95179879 -0.83330009
C 4.20924137 -0.89730674 -1.52586222
H 3.03045073 0.84001488 -1.30993091
C 4.31361495 -2.27440156 -1.36010948
H 5.04111220 -0.34798961 -1.94960542
H 5.21622676 -2.80043640 -1.63790093
C 0.53125083 1.69845009 -1.60371951
C -0.25235113 1.61639834 -2.77894033
C 1.42467839 2.78566962 -1.66537386
C -0.09689780 2.41725995 -3.89055373
H -1.03436763 0.87433408 -2.83482530
C 1.61149026 3.61467646 -2.78176438
C 0.86856052 3.41536038 -3.91942017
H -0.73250538 2.26251896 -4.75342268
H 1.01542922 4.03033610 -4.79623741
C 1.73386269 1.09944313 1.31194927
C 2.54593811 2.23972286 1.14141356
C 2.11212562 0.36003818 2.45649882
C 3.58376419 2.62119560 2.00420695
C 3.11783597 0.71761503 3.32864624
H 1.57863950 -0.55233835 2.68273494
C 3.87158218 1.86416038 3.11286324
H 3.32961840 0.09485013 4.18878208
H 4.66761678 2.14742699 3.78721625
H -4.63004237 2.03293200 1.11512524
H -4.19423399 -1.86432245 -1.96486251
H -0.81580114 -4.42241367 2.14595105
H 3.29652520 -4.02488808 -0.68317166
H 2.34348385 4.41366086 -2.74589843
H 4.17765463 3.50208970 1.78506335
P -3.32880680 -0.15786889 0.02448474
P 2.32891729 3.36761537 -0.23469265
P 0.75847190 -3.26728955 0.17337944
C -4.82991516 0.37578492 -0.85044075
C -4.62996501 1.26712756 -1.90202595
C -6.11503841 -0.03089879 -0.51835382
C -5.71023974 1.74711228 -2.61517625
H -3.62035624 1.57591962 -2.14119606
C -7.19461210 0.45514218 -1.23712891
H -6.27064497 -0.72106352 0.30002547
C -6.99441357 1.34138784 -2.28183883
H -5.55598328 2.43960935 -3.42934384
H -8.19545463 0.14174048 -0.97791526
H -7.84040286 1.71860558 -2.83710283
C -3.95265900 -1.25519358 1.33290627
C -4.10561383 -2.61195439 1.07532248
C -4.33717609 -0.73598868 2.56395039
C -4.64278029 -3.44353263 2.04102004
H -3.80730676 -3.00567410 0.11447971
C -4.88581635 -1.56992367 3.52074774
H -4.19552500 0.31533929 2.76896138
C -5.03949847 -2.92234728 3.26134414
H -4.75635268 -4.49933628 1.84079167
H -5.19023601 -1.16571106 4.47518129
H -5.46482332 -3.57149315 4.01259147
C 1.52604169 4.92921638 0.27269447
C 0.34985868 5.34586361 -0.34264944
C 2.07504097 5.69688887 1.29549722
C -0.25678051 6.52494327 0.04895565
H -0.09153775 4.73837719 -1.11893576
C 1.46255175 6.87407360 1.68443215
H 2.98171206 5.37399824 1.78668821
C 0.29861490 7.29246838 1.05949072
H -1.16995933 6.84163653 -0.43318804
H 1.89400123 7.46723733 2.47756169
H -0.17724156 8.21293469 1.36437433
C 3.98187496 3.90947207 -0.76934849
C 5.00248779 2.96643769 -0.85188084
C 4.22519173 5.22168638 -1.16345267
C 6.24906145 3.33386347 -1.32276452
H 4.81488561 1.95133158 -0.53162204
C 5.47492203 5.58326819 -1.63430742
H 3.43927497 5.96230705 -1.09516580
C 6.48673193 4.64111878 -1.71733672
H 7.03893160 2.59949723 -1.38247058
H 5.65801415 6.60373545 -1.93826439
H 7.46047509 4.92669411 -2.08698464
C 1.58524648 -4.58002770 1.12381515
C 2.39423294 -4.15453863 2.17502019
C 1.42506030 -5.93747332 0.87884767
C 3.03867819 -5.08053271 2.97087222
H 2.50847378 -3.09257276 2.35008879
C 2.07436649 -6.86161809 1.68040480
H 0.79652411 -6.27193763 0.06458878
C 2.87832242 -6.43630507 2.72410470
H 3.66615481 -4.74990795 3.78523516
H 1.94985015 -7.91757860 1.48856447
H 3.38074896 -7.16166351 3.34685697
C -0.13436640 -4.19676980 -1.10782732
C -1.46532648 -4.53994045 -0.91290919
C 0.53844203 -4.63090416 -2.24536681
C -2.12407855 -5.30815954 -1.85588421
H -1.97163407 -4.19834082 -0.02207009
C -0.12348714 -5.40401486 -3.18022393
H 1.57053686 -4.34801556 -2.39705486
C -1.45374848 -5.74317917 -2.98692812
H -3.16191041 -5.57089202 -1.70881217
H 0.39656910 -5.74203981 -4.06485898
H -1.96884717 -6.34408005 -3.72197153
130
conf 107  E=-192.86385560 Eh  dE=0.676 kcal/mol  pop=0.41%
Ir -0.43863143 -0.10514594 -0.02816053
C -1.77375137 0.59290412 1.50316946
C -1.26586697 1.18713307 2.68265715
C -3.18227192 0.58095250 1.50804798
C -2.03102906 1.61060056 3.74844549
H -0.20000185 1.32569007 2.78103463
C -3.98928068 0.99744745 2.57791804
C -3.41470778 1.49296170 3.72252305
H -1.54608086 2.03604705 4.61814438
H -4.02085181 1.79968840 4.56332372
C -1.94259543 -0.80493161 -1.38242715
C -3.34587346 -0.76866989 -1.24288213
C -1.55157532 -1.59184023 -2.49051267
C -4.25325565 -1.42100330 -2.09051329
C -2.42081340 -2.23045924 -3.34886907
H -0.49657732 -1.70651777 -2.69644610
C -3.79433402 -2.15547065 -3.15598999
H -2.03062817 -2.80581912 -4.17910699
H -4.48232776 -2.66488606 -3.81629378
C -0.56307422 -2.10260746 0.59472844
C -1.76433543 -2.61050518 1.13000434
C 0.44282296 -3.08230187 0.49764415
C -1.95165601 -3.91980890 1.51475489
H -2.59414651 -1.92405578 1.26371601
C 0.27728441 -4.42425298 0.86752950
C -0.92658409 -4.84985559 1.37664968
H -2.90223374 -4.23430436 1.92809470
H -1.07107178 -5.88204659 1.66356944
C 1.05342120 -0.45406367 -1.45937503
C 2.13339218 -1.34890671 -1.31782920
C 1.14840609 0.31774421 -2.64183330
C 3.22689164 -1.42134109 -2.19202875
C 2.19622610 0.24026524 -3.53391332
H 0.33175711 0.98205422 -2.89155216
C 3.27334355 -0.60732466 -3.29784539
H 2.18344020 0.84287416 -4.43318384
H 4.10953746 -0.64855223 -3.98163257
C -0.52895897 1.86792313 -0.72055168
C -1.70651388 2.33651419 -1.33769383
C 0.48740210 2.83970396 -0.70291754
C -1.86157444 3.59425781 -1.87652258
H -2.54438752 1.65446778 -1.42026235
C 0.35463165 4.13585892 -1.22142684
C -0.82372547 4.51837603 -1.81676973
H -2.79629388 3.86814273 -2.34938857
H -0.93930364 5.51112759 -2.22862664
C 1.14973609 0.20288577 1.31435473
C 2.14770383 1.19482677 1.24358892
C 1.28951397 -0.61577498 2.46228771
C 3.17637597 1.35607419 2.18315113
C 2.27324012 -0.45721622 3.41482777
H 0.54253623 -1.37569255 2.64861099
C 3.24866129 0.52243110 3.27336589
H 2.28534007 -1.09773089 4.28715087
H 4.02675957 0.64444787 4.01358524
H -5.06868032 0.92779433 2.49998063
H -5.31864232 -1.36690496 -1.89225334
H 1.09233031 -5.12920501 0.74077912
H 4.02426903 -2.13397168 -2.00624242
H 1.17773395 4.83893349 -1.14480933
H 3.89661207 2.15977181 2.06674928
P -4.14594200 0.16749778 0.05815743
P 2.08879025 2.49091456 0.00893278
P 2.07440818 -2.66480509 -0.10542149
C -4.85405407 1.73238257 -0.56784243
C -4.56420813 2.94106441 0.05678854
C -5.67207146 1.71941971 -1.69373756
C -5.10404747 4.11797484 -0.42835784
H -3.90689838 2.95654605 0.91369037
C -6.20638221 2.90006780 -2.17614853
H -5.88581877 0.78616729 -2.19460933
C -5.92775626 4.10030041 -1.54195658
H -4.87412435 5.05296341 0.06119298
H -6.84084495 2.88477507 -3.05044551
H -6.34648791 5.02124498 -1.92044151
C -5.61744951 -0.76038767 0.59296003
C -5.50774503 -2.13402156 0.78937115
C -6.81874816 -0.11890254 0.87812356
C -6.58710914 -2.85436608 1.26516074
H -4.57761846 -2.63112761 0.55302975
C -7.89544004 -0.84524651 1.35525194
H -6.91342654 0.94757491 0.72173102
C -7.78110071 -2.21133818 1.55187728
H -6.49861555 -3.92056088 1.41337180
H -8.82578075 -0.34204868 1.57551836
H -8.62313323 -2.77462204 1.92606925
C 2.52418131 4.01306981 0.90088907
C 3.65115848 4.78014141 0.63982323
C 1.63058321 4.40067014 1.89680064
C 3.87991786 5.93234374 1.37384784
H 4.34375970 4.47945143 -0.13502234
C 1.86464816 5.54998562 2.62480369
H 0.75561822 3.79032771 2.08105593
C 2.99044496 6.31731756 2.36261634
H 4.75525178 6.53207958 1.17077800
H 1.17111174 5.85239241 3.39542170
H 3.17314451 7.21799992 2.92978710
C 3.39421456 2.31574291 -1.24407461
C 3.26449569 2.92526123 -2.48685321
C 4.55247024 1.61286774 -0.93532729
C 4.29629066 2.84394165 -3.40373971
H 2.35270281 3.44997937 -2.73254083
C 5.57600817 1.52451608 -1.86111262
H 4.64555167 1.14348372 0.03324937
C 5.45179889 2.14527732 -3.09282175
H 4.19827211 3.32268566 -4.36705316
H 6.47394804 0.97369550 -1.62079825
H 6.25440447 2.08108154 -3.81280641
C 3.31029770 -2.50432681 1.21698568
C 4.39345450 -1.65170099 1.05291700
C 3.21141003 -3.29509572 2.35723236
C 5.37142919 -1.58471284 2.02882858
H 4.45662878 -1.04671882 0.16037251
C 4.19523711 -3.22822133 3.32536454
H 2.35768250 -3.94575248 2.48417799
C 5.27533247 -2.37450319 3.16229891
H 6.21225583 -0.91721605 1.90557382
H 4.12072960 -3.84084546 4.21214630
H 6.04048201 -2.32251919 3.92291679
C 2.64797491 -4.12935003 -1.01956736
C 1.85722709 -4.52665135 -2.09534241
C 3.81744853 -4.81910498 -0.72774391
C 2.23347478 -5.60666246 -2.86896172
H 0.94884702 -3.97769640 -2.30730388
C 4.18938668 -5.90182390 -1.50705098
H 4.43536601 -4.51239188 0.10538963
C 3.40151082 -6.29516490 -2.57537511
H 1.62001345 -5.91441426 -3.70276142
H 5.09908586 -6.43816685 -1.27889078
H 3.69786644 -7.13900656 -3.18085573
130
conf 108  E=-192.86383737 Eh  dE=0.687 kcal/mol  pop=0.40%
Ir -0.36144692 0.02310910 0.00661044
C -1.84660511 0.52160128 1.46019837
C -1.46024277 1.08325628 2.69967566
C -3.24477705 0.37618918 1.37878468
C -2.31692453 1.34704061 3.74685093
H -0.41908029 1.32287303 2.85897787
C -4.14108076 0.62901962 2.42717346
C -3.67771206 1.09078427 3.63398199
H -1.92504904 1.75588502 4.66963426
H -4.35322476 1.27129079 4.45831762
C -1.70938692 -0.51416899 -1.56342701
C -3.11187611 -0.39623739 -1.59858306
C -1.21023343 -1.05419279 -2.77176659
C -3.91158342 -0.64390028 -2.72332838
C -1.97046456 -1.31611286 -3.89148502
H -0.15593213 -1.27760964 -2.84474611
C -3.33914656 -1.07784226 -3.89324694
H -1.49502932 -1.70743205 -4.78203055
H -3.93829880 -1.25222797 -4.77584301
C -0.47011145 -2.01010440 0.50173446
C -1.69697155 -2.57873521 0.89933279
C 0.57914301 -2.94708637 0.50040415
C -1.86658419 -3.89473752 1.26805666
H -2.57293011 -1.93950284 0.93298702
C 0.43733025 -4.29548226 0.85788236
C -0.78942511 -4.77452119 1.25189080
H -2.84451001 -4.24929974 1.56940879
H -0.91349817 -5.81032582 1.53515953
C 1.24736721 -0.20109242 -1.31785225
C 2.30506400 -1.12575906 -1.19492238
C 1.39401339 0.63814106 -2.44824808
C 3.40497851 -1.19121252 -2.06180247
C 2.44269088 0.56038008 -3.33994290
H 0.60683304 1.34738526 -2.66851112
C 3.48192374 -0.34041725 -3.13854203
H 2.45971460 1.20523028 -4.20908973
H 4.31568820 -0.39018053 -3.82459829
C -0.49486330 2.05318454 -0.49679948
C -1.70790121 2.58820118 -0.97490257
C 0.52715066 3.01766832 -0.42976730
C -1.88665342 3.89769192 -1.36214469
H -2.56368127 1.92648523 -1.06031941
C 0.37464624 4.35994709 -0.80508496
C -0.83515994 4.80467439 -1.28289722
H -2.85155599 4.22556685 -1.72869263
H -0.96631398 5.83523528 -1.58167101
C 1.13433411 0.29790123 1.44887152
C 2.17176918 1.25198855 1.39859722
C 1.22629383 -0.53846510 2.58699814
C 3.20692084 1.34761855 2.33925022
C 2.20980263 -0.43376629 3.54756362
H 0.44567211 -1.26948267 2.75287309
C 3.23462158 0.49640963 3.41803407
H 2.18618282 -1.07988954 4.41562431
H 4.01836170 0.56718035 4.15904778
H -5.20238277 0.46627990 2.28187400
H -4.98332542 -0.49543887 -2.66754180
H 1.29050560 -4.96421577 0.81241219
H 4.18067813 -1.93306432 -1.90054590
H 1.20516572 5.05122571 -0.70769902
H 3.97024585 2.11169884 2.23113627
P -4.09695882 -0.04770093 -0.14148548
P 2.14150408 2.59752472 0.21450412
P 2.22373188 -2.48019686 -0.02305857
C -5.27211964 1.31562705 -0.43517486
C -4.95273605 2.58716079 0.03442071
C -6.45932640 1.12579209 -1.13680379
C -5.80552078 3.64970965 -0.19903634
H -4.03851504 2.73702161 0.59069587
C -7.30879047 2.19288252 -1.36743125
H -6.73448183 0.14034250 -1.48776263
C -6.98356559 3.45623327 -0.90198627
H -5.55051501 4.63136160 0.17246241
H -8.23027857 2.03607785 -1.90914226
H -7.65083050 4.28624330 -1.08170504
C -5.17490686 -1.50613378 0.06262884
C -4.74188381 -2.73312581 -0.43379437
C -6.40010286 -1.43028091 0.71903686
C -5.52078344 -3.86360171 -0.27226032
H -3.79558201 -2.79584342 -0.95160730
C -7.17570266 -2.56467693 0.87713839
H -6.76286916 -0.48185562 1.09111607
C -6.73796838 -3.78303777 0.38445970
H -5.17642015 -4.80979540 -0.66322916
H -8.12782456 -2.49582855 1.38306018
H -7.34774884 -4.66594883 0.50756858
C 2.62906961 4.06219745 1.17867169
C 1.77505233 4.41470264 2.22118984
C 3.76560656 4.81939692 0.92822441
C 2.05540208 5.51786843 3.00243819
H 0.89239912 3.81410871 2.39967687
C 4.04138333 5.92540773 1.71505616
H 4.43140800 4.54910974 0.11978723
C 3.18960930 6.27549853 2.74860274
H 1.39149838 5.79221635 3.80877799
H 4.92429232 6.51585868 1.51727143
H 3.40834957 7.14041437 3.35721830
C 3.44253824 2.50397064 -1.05162462
C 4.57542351 1.73473118 -0.82322373
C 3.34561372 3.27303745 -2.20657267
C 5.60636429 1.73244143 -1.74585382
H 4.64056652 1.14701680 0.08071422
C 4.38260289 3.27375563 -3.12022095
H 2.45335022 3.85489606 -2.38830582
C 5.51333713 2.50519501 -2.89103776
H 6.48588109 1.12964245 -1.57045906
H 4.30973731 3.87260722 -4.01647464
H 6.32057092 2.50632765 -3.60873676
C 3.42053391 -2.36810592 1.34072452
C 4.55958753 -1.58682218 1.20069138
C 3.23996493 -3.13444289 2.48743566
C 5.51315292 -1.56999008 2.20302472
H 4.69172849 -1.00131678 0.30264336
C 4.20061706 -3.12122926 3.48084220
H 2.34203882 -3.72507591 2.59950891
C 5.33749493 -2.34055478 3.33990377
H 6.39716716 -0.95785298 2.09607806
H 4.06302655 -3.71834801 4.37062508
H 6.08479177 -2.33091363 4.11974283
C 2.81750953 -3.92145032 -0.96211760
C 2.05624984 -4.27487615 -2.07384129
C 3.94701151 -4.65857333 -0.63287941
C 2.42292740 -5.35768628 -2.84770432
H 1.17686015 -3.69054183 -2.31236583
C 4.30945593 -5.74449083 -1.41257619
H 4.53990754 -4.38772013 0.23031488
C 3.55108125 -6.09423136 -2.51663897
H 1.83147739 -5.63192460 -3.70863323
H 5.18717639 -6.31922379 -1.15462025
H 3.83816701 -6.94251175 -3.12023674
130
conf 109  E=-192.86381790 Eh  dE=0.699 kcal/mol  pop=0.39%
Ir -0.36875844 0.16402039 0.00842998
C -1.73739239 0.97370123 1.44145784
C -1.22204436 1.65123315 2.57069418
C -3.13936845 1.10254362 1.35591594
C -1.98396178 2.32752055 3.49914589
H -0.15385715 1.64300182 2.73593930
C -3.93824417 1.79639756 2.27647365
C -3.36377838 2.40944841 3.36250528
H -1.50245032 2.80862440 4.34131838
H -3.96753005 2.94678698 4.08048715
C -1.81984631 -0.28347794 -1.51062914
C -3.21426788 -0.08733352 -1.47242435
C -1.42248931 -0.87470417 -2.73323470
C -4.09316258 -0.33246418 -2.53844840
C -2.26082060 -1.13210289 -3.79709976
H -0.38752166 -1.14939820 -2.86880617
C -3.61503637 -0.83237822 -3.72472517
H -1.85697183 -1.56930282 -4.70167756
H -4.27498307 -1.00665096 -4.56289558
C -0.68259677 -1.81347574 0.61842312
C -1.89379304 -2.16463064 1.24800645
C 0.21143935 -2.89624593 0.53962309
C -2.18479449 -3.41545083 1.74518699
H -2.64364499 -1.39322749 1.37631557
C -0.06179805 -4.18674330 1.01532804
C -1.26421956 -4.45135443 1.62665146
H -3.13539417 -3.59593502 2.23119898
H -1.48692437 -5.43866609 2.00626918
C 1.13499415 -0.27544811 -1.39437961
C 2.00532967 -1.38355160 -1.39413672
C 1.34434370 0.56913735 -2.51259612
C 2.97932923 -1.62952930 -2.37276132
C 2.27507321 0.33284759 -3.50163636
H 0.69279800 1.42264570 -2.64401394
C 3.12400958 -0.76511720 -3.43137179
H 2.34364556 1.00468079 -4.34739075
H 3.85981915 -0.95020557 -4.20118157
C -0.26101380 2.18862120 -0.52055964
C -1.40515359 2.86917695 -0.98456390
C 0.86447139 3.02778418 -0.42019840
C -1.43651494 4.20857039 -1.30451249
H -2.32089938 2.30105527 -1.11304414
C 0.85987771 4.39564259 -0.72680254
C -0.29612891 4.99349369 -1.16938388
H -2.35324827 4.66023420 -1.66360569
H -0.31677993 6.04800372 -1.40640912
C 1.18762936 0.26060801 1.40783403
C 2.36812339 1.01851093 1.27105539
C 1.20805473 -0.56180455 2.55931045
C 3.48043674 0.91818704 2.11848498
C 2.27471594 -0.64950286 3.42755142
H 0.31905682 -1.12726954 2.80527366
C 3.44589176 0.06336818 3.19341134
H 2.20343901 -1.27772633 4.30626934
H 4.29468503 -0.02775261 3.85654487
H -5.00923080 1.87088657 2.12014105
H -5.15166984 -0.12668593 -2.42508115
H 0.67158017 -4.97745769 0.89430746
H 3.59697584 -2.52007035 -2.31237507
H 1.76216534 4.98536903 -0.60286633
H 4.35816697 1.53046321 1.93741391
P -4.08269658 0.35438804 0.02870969
P 2.44549356 2.38200540 0.11327083
P 1.82520940 -2.71070047 -0.20484030
C -5.43762875 1.49028957 -0.40191942
C -5.16469757 2.85115997 -0.50617493
C -6.71253754 1.01989773 -0.70131648
C -6.15614145 3.72791659 -0.90492860
H -4.17724210 3.21498476 -0.25965132
C -7.70043202 1.90223518 -1.10091894
H -6.93380274 -0.03583199 -0.61631132
C -7.42381792 3.25520383 -1.20602641
H -5.94112766 4.78359452 -0.98187555
H -8.68827657 1.53114171 -1.33259944
H -8.19689422 3.94070255 -1.52031481
C -4.96658295 -1.14816485 0.57857774
C -4.80140592 -2.35206015 -0.09857983
C -5.79158380 -1.09711138 1.69824093
C -5.46857943 -3.48473518 0.33018566
H -4.14104883 -2.39954531 -0.95196389
C -6.45421127 -2.23375695 2.12374923
H -5.91299688 -0.16860455 2.23741821
C -6.29731611 -3.42813555 1.43869959
H -5.33452453 -4.41642811 -0.19958605
H -7.09411811 -2.18867628 2.99298733
H -6.81566364 -4.31479078 1.77324745
C 3.22010348 3.72231210 1.06910722
C 2.51085849 4.16860616 2.18188581
C 4.46060183 4.27178455 0.77271134
C 3.03861946 5.15780470 2.98772008
H 1.54511483 3.72989855 2.39710378
C 4.98453554 5.26406012 1.58439495
H 5.01534256 3.92662649 -0.08927554
C 4.27763922 5.70611056 2.68961746
H 2.48830727 5.50342508 3.85025333
H 5.94946812 5.69123556 1.35246535
H 4.69239976 6.47842732 3.32041941
C 3.62054404 2.12522036 -1.24855193
C 4.58572963 1.13235175 -1.15043687
C 3.60225922 2.97447555 -2.35021985
C 5.52609562 0.98442739 -2.15398763
H 4.58703805 0.48354375 -0.28689199
C 4.54861255 2.82546866 -3.34613634
H 2.83887842 3.73596451 -2.42571178
C 5.51074873 1.83197881 -3.24905239
H 6.27467592 0.20837605 -2.08230252
H 4.53686915 3.48326758 -4.20312264
H 6.24660325 1.71660746 -4.03128473
C 3.17403015 -2.74361520 1.01379774
C 4.40980914 -2.20001423 0.68441597
C 2.99578188 -3.36228248 2.24589715
C 5.46123282 -2.27854839 1.57935425
H 4.54103098 -1.72345218 -0.27624936
C 4.05432375 -3.44911173 3.13139645
H 2.02728166 -3.76346040 2.50738739
C 5.28637978 -2.90875420 2.80022013
H 6.42014943 -1.85132818 1.32313975
H 3.91772097 -3.93534290 4.08627339
H 6.11003014 -2.97527964 3.49580944
C 2.05506709 -4.23931961 -1.16012306
C 1.10811548 -4.47360327 -2.15457056
C 3.07522931 -5.15478728 -0.94096546
C 1.18323726 -5.61764515 -2.92351645
H 0.31777330 -3.74924211 -2.30510118
C 3.14448672 -6.30099746 -1.71558771
H 3.80910035 -4.97373611 -0.16696718
C 2.20232249 -6.53305330 -2.70323147
H 0.44830017 -5.80083958 -3.69328922
H 3.93630982 -7.01583708 -1.54485769
H 2.26034088 -7.42983236 -3.30218491
130
conf 110  E=-192.86380248 Eh  dE=0.709 kcal/mol  pop=0.38%
Ir -0.35097595 0.08790000 -0.07030526
C -1.66795652 1.09412530 1.29662670
C -1.10633171 1.89386516 2.32017582
C -3.05060411 1.33647197 1.15940341
C -1.80071864 2.81615559 3.07301511
H -0.05444694 1.78870290 2.54353087
C -3.77972190 2.28424998 1.89245630
C -3.15428740 3.03823660 2.85512299
H -1.28241972 3.38470097 3.83549032
H -3.69989290 3.77857485 3.42348106
C -1.85890021 -0.48135225 -1.49237528
C -3.25891417 -0.35023462 -1.38616859
C -1.49475322 -1.17006905 -2.67264041
C -4.18270237 -0.77447634 -2.35439692
C -2.38014790 -1.61826330 -3.63019407
H -0.44862826 -1.36580498 -2.85760907
C -3.74608698 -1.40760083 -3.49221369
H -2.00632595 -2.13192255 -4.50711546
H -4.44413907 -1.73332588 -4.25088987
C -0.67982393 -1.84699281 0.63434199
C -1.93653391 -2.17113445 1.17905399
C 0.20080941 -2.94395943 0.62102101
C -2.29275340 -3.41813186 1.64010764
H -2.66940667 -1.37513872 1.25449303
C -0.13351183 -4.22952828 1.06851761
C -1.38721605 -4.47275708 1.57806942
H -3.28102117 -3.58280341 2.05039511
H -1.66061555 -5.45949440 1.92452062
C 1.16446490 -0.47073329 -1.40982271
C 2.11029590 -1.50012723 -1.22363659
C 1.39616320 0.25909375 -2.60105043
C 3.19327003 -1.74894611 -2.07873037
C 2.43144065 0.00813559 -3.47636717
H 0.68911522 1.02925832 -2.87940899
C 3.36722231 -0.98400583 -3.20696269
H 2.51820964 0.58627331 -4.38736859
H 4.19240777 -1.16859839 -3.88021320
C -0.23478768 2.05075287 -0.79940390
C -1.37666801 2.67694708 -1.33744677
C 0.89856589 2.88203393 -0.82761922
C -1.39346484 3.94669985 -1.86899386
H -2.30743277 2.12139803 -1.33055043
C 0.91104926 4.18415380 -1.34789796
C -0.23605832 4.71817521 -1.88431680
H -2.31150216 4.35595944 -2.27214765
H -0.24060605 5.71810899 -2.29490685
C 1.20124144 0.30068237 1.31631338
C 2.33995318 1.11987634 1.18201206
C 1.20476981 -0.43518617 2.52520247
C 3.38764341 1.17857660 2.11175717
C 2.20737009 -0.36830581 3.46878620
H 0.34557303 -1.05061781 2.75663915
C 3.33158452 0.42143070 3.25746649
H 2.12050400 -0.93322024 4.38799487
H 4.12739758 0.46244082 3.98776321
H -4.83474462 2.43370806 1.68923742
H -5.24213147 -0.58351343 -2.21043043
H 0.59126449 -5.03431832 1.00223160
H 3.87850275 -2.56273388 -1.86331802
H 1.81960540 4.77633975 -1.31395614
H 4.22944557 1.84195082 1.94044440
P -4.05979395 0.36725871 0.04324118
P 2.45130132 2.34985219 -0.11649155
P 1.87717093 -2.75280435 0.03490124
C -5.42894607 1.41266417 -0.55654334
C -5.20066024 2.26807152 -1.63011074
C -6.67943254 1.39938670 0.05329663
C -6.20572458 3.10342027 -2.08005828
H -4.23660655 2.26635434 -2.11802877
C -7.68210475 2.23811959 -0.40031233
H -6.87097191 0.73145249 0.88211594
C -7.44697307 3.09303465 -1.46404910
H -6.02177787 3.76422047 -2.91439908
H -8.64985155 2.22323754 0.07974563
H -8.23135374 3.74732177 -1.81469915
C -4.94696577 -0.91689595 0.99966277
C -5.35836729 -2.10143131 0.39958923
C -5.21462011 -0.70051781 2.34904954
C -6.05296445 -3.04472843 1.13577474
H -5.11565050 -2.29381714 -0.63493011
C -5.90754282 -1.64799915 3.07949408
H -4.86406281 0.20454755 2.82612240
C -6.33572462 -2.81782080 2.47262054
H -6.36852146 -3.96429840 0.66472422
H -6.11112725 -1.47476992 4.12632117
H -6.87725541 -3.55670698 3.04489171
C 3.07735679 3.83476040 0.72688338
C 2.23568265 4.37782420 1.69509571
C 4.30680939 4.42423165 0.46587792
C 2.62249731 5.50396432 2.39362134
H 1.27878476 3.90708147 1.88057056
C 4.68848201 5.55462636 1.16948433
H 4.96153858 4.00401297 -0.28585378
C 3.85028336 6.09389814 2.13029838
H 1.96897951 5.92627220 3.14247389
H 5.64385506 6.01565829 0.96461832
H 4.15279458 6.97628544 2.67459352
C 3.74537414 1.98255202 -1.33914636
C 4.76248082 1.09303867 -1.01886142
C 3.76180659 2.64434379 -2.56228340
C 5.79310726 0.86941124 -1.91390513
H 4.73914794 0.58594997 -0.06554733
C 4.79873272 2.42328984 -3.44916456
H 2.95671444 3.31858808 -2.81662256
C 5.81556271 1.53846645 -3.12598406
H 6.58227427 0.17446726 -1.66488558
H 4.81472143 2.93985204 -4.39785056
H 6.62354672 1.36756321 -3.82212982
C 3.08130017 -2.67742117 1.39397275
C 4.30041377 -2.03868392 1.21097931
C 2.80888332 -3.32629145 2.59377138
C 5.24191885 -2.04594729 2.22449675
H 4.50191259 -1.54350934 0.27239313
C 3.75705155 -3.33779995 3.59908489
H 1.85090285 -3.80615624 2.73531127
C 4.97336248 -2.69866662 3.41592312
H 6.18866185 -1.54419336 2.08486986
H 3.54743985 -3.84322478 4.53062210
H 5.71055210 -2.70634993 4.20530581
C 2.28103957 -4.31838505 -0.79589714
C 1.47533609 -4.65643432 -1.88082101
C 3.32432978 -5.15343760 -0.41871579
C 1.71309346 -5.82247176 -2.58086727
H 0.66560873 -3.99338631 -2.15719239
C 3.55738097 -6.32179778 -1.12489758
H 3.95057183 -4.89243365 0.42373417
C 2.75565103 -6.65626162 -2.20296732
H 1.08821104 -6.08536823 -3.42146342
H 4.36838961 -6.97231350 -0.83108616
H 2.94269787 -7.56844469 -2.75002801
130
conf 111  E=-192.86377981 Eh  dE=0.723 kcal/mol  pop=0.37%
Ir -0.38294976 0.10982249 -0.02803520
C -1.76237725 1.02812578 1.33563915
C -1.25475620 1.78187627 2.41933316
C -3.14007925 1.26617377 1.14556705
C -1.99119435 2.66971563 3.17466527
H -0.21388099 1.66686345 2.68740187
C -3.90764190 2.18521758 1.87425883
C -3.33157696 2.90223870 2.89491352
H -1.51589595 3.20599630 3.98678536
H -3.90609763 3.62194478 3.46136950
C -1.83172633 -0.48816421 -1.49979748
C -3.23491640 -0.37517213 -1.44306718
C -1.42125837 -1.18873589 -2.65889732
C -4.12096950 -0.82096395 -2.43746880
C -2.26733572 -1.65533859 -3.64213764
H -0.36910457 -1.38196218 -2.80644239
C -3.63943836 -1.45701668 -3.55495013
H -1.85660747 -2.17593992 -4.49828856
H -4.30703963 -1.79773050 -4.33408415
C -0.67864289 -1.83701828 0.65707576
C -1.91797644 -2.18267823 1.23030386
C 0.23007639 -2.90999009 0.64976186
C -2.22447277 -3.42388835 1.74046219
H -2.67828368 -1.41177685 1.29043488
C -0.05519894 -4.18988238 1.14587467
C -1.28638825 -4.45087377 1.69902119
H -3.19958060 -3.60499612 2.17501630
H -1.51972768 -5.43121076 2.09015052
C 1.13835280 -0.37901307 -1.38452874
C 2.05658186 -1.44307919 -1.27999566
C 1.34568103 0.39687441 -2.55100506
C 3.08307801 -1.69826393 -2.20059503
C 2.32743113 0.14592093 -3.48560133
H 0.65645693 1.20323937 -2.76296110
C 3.23057298 -0.89509806 -3.30608807
H 2.39560868 0.76147548 -4.37323853
H 4.01011916 -1.08642525 -4.02993796
C -0.29827669 2.10496330 -0.67108837
C -1.45286847 2.73992106 -1.16933284
C 0.81461738 2.96399663 -0.63233500
C -1.50529296 4.05062148 -1.58705140
H -2.36583487 2.15718540 -1.22276063
C 0.79166340 4.30550226 -1.03945173
C -0.37163188 4.85426145 -1.52407259
H -2.43337460 4.46634257 -1.95941933
H -0.40514990 5.88737083 -1.84038373
C 1.16461792 0.30818399 1.36943264
C 2.32145306 1.09921304 1.21797391
C 1.19193787 -0.46236384 2.55636308
C 3.41304029 1.08656473 2.09761416
C 2.23942486 -0.46657397 3.45237345
H 0.32077753 -1.05260780 2.80794676
C 3.38409255 0.28605029 3.21406639
H 2.17292940 -1.05907947 4.35593417
H 4.21636831 0.26636501 3.90352933
H -4.95049969 2.34438316 1.62010346
H -5.18741760 -0.64785738 -2.32694532
H 0.68978467 -4.97639278 1.08294146
H 3.74301982 -2.54778573 -2.05628981
H 1.68571246 4.91490564 -0.95806892
H 4.26947357 1.72632441 1.90960038
P -4.09303204 0.31810574 -0.03762447
P 2.39421962 2.39452666 -0.01702553
P 1.87040849 -2.71583055 -0.03260955
C -5.45056836 1.34719877 -0.68974777
C -6.72959919 1.31316114 -0.14415157
C -5.18778029 2.19131076 -1.76496830
C -7.72673887 2.12077181 -0.66265300
H -6.94921532 0.65060022 0.68197930
C -6.18679115 2.99604292 -2.27883488
H -4.20173589 2.20166896 -2.20686859
C -7.45766748 2.96448585 -1.72722544
H -8.71820789 2.08810705 -0.23475436
H -5.97561299 3.64650812 -3.11489925
H -8.23878579 3.59189465 -2.13035585
C -4.98659162 -1.00780438 0.85300117
C -5.39039432 -0.79618703 2.16882355
C -5.26093520 -2.22500585 0.23943859
C -6.08402632 -1.78026101 2.84902138
H -5.14405058 0.13377936 2.66266149
C -5.95436739 -3.20568915 0.92551875
H -4.91285254 -2.41154980 -0.76572900
C -6.37439053 -2.98361367 2.22659536
H -6.39518736 -1.60936085 3.86935563
H -6.16183058 -4.14998837 0.44364803
H -6.91574959 -3.75139363 2.75969138
C 3.08457827 3.81641576 0.88261339
C 4.30775914 4.40545268 0.59198182
C 2.31415915 4.29636635 1.93941460
C 4.75444604 5.47168130 1.35487611
H 4.90800332 4.03403649 -0.22774855
C 2.76528390 5.35904613 2.69645599
H 1.36211728 3.82555617 2.14829353
C 3.98730151 5.94755526 2.40444077
H 5.70563549 5.93104933 1.12787046
H 2.16776728 5.73177980 3.51514924
H 4.34134806 6.77859120 2.99642336
C 3.61808290 2.09857860 -1.32763047
C 3.57786766 2.85087520 -2.49697101
C 4.63488135 1.17394632 -1.13114402
C 4.55495079 2.67724603 -3.45878918
H 2.77402275 3.55652995 -2.65132233
C 5.60539572 0.99894649 -2.10117371
H 4.65557933 0.60007894 -0.21645861
C 5.56884892 1.75249146 -3.26235815
H 4.52600797 3.26149208 -4.36710690
H 6.39369711 0.27515734 -1.95133960
H 6.32844152 1.61682915 -4.01818753
C 3.17323351 -2.66185564 1.23394555
C 4.38388796 -2.04291625 0.94983820
C 2.98794314 -3.29400608 2.45859327
C 5.40477436 -2.05851262 1.88285102
H 4.51805113 -1.55737466 -0.00564366
C 4.01578645 -3.31584176 3.38285652
H 2.03687830 -3.75484644 2.68383393
C 5.22394591 -2.69998544 3.09666227
H 6.34434621 -1.57256363 1.66194345
H 3.87491679 -3.81107210 4.33250896
H 6.02343776 -2.71670842 3.82274998
C 2.18603757 -4.27486738 -0.91186537
C 1.27625364 -4.59494870 -1.91705265
C 3.25067683 -5.12375211 -0.64139341
C 1.43149059 -5.75850413 -2.64365666
H 0.45141137 -3.92102146 -2.11007273
C 3.40082097 -6.28938103 -1.37430099
H 3.95697963 -4.87594356 0.13965887
C 2.49499479 -6.60710441 -2.37199930
H 0.72535504 -6.00803178 -3.42165197
H 4.22791775 -6.95160090 -1.16360092
H 2.61657579 -7.51821906 -2.93894525
130
conf 112  E=-192.86373889 Eh  dE=0.749 kcal/mol  pop=0.36%
Ir -0.38059276 -0.06150978 -0.01011291
C -1.70206261 0.48862106 1.59280834
C -1.18824128 1.00188210 2.80704641
C -3.10847686 0.41632233 1.62881051
C -1.94079949 1.28639368 3.92681457
H -0.12831835 1.18864313 2.88872919
C -3.90265548 0.69313189 2.75183714
C -3.31723877 1.10128094 3.92521569
H -1.45135392 1.65429420 4.81987007
H -3.91156615 1.29439213 4.80719653
C -1.89494268 -0.69353004 -1.38533390
C -3.29719135 -0.66852442 -1.23566751
C -1.51037291 -1.39552191 -2.55118795
C -4.20985798 -1.24013209 -2.13427296
C -2.38443341 -1.95705962 -3.45703841
H -0.45657250 -1.50521285 -2.76509851
C -3.75734387 -1.88383027 -3.25950078
H -1.99829861 -2.46887221 -4.32965843
H -4.44949747 -2.32862075 -3.96079639
C -0.45230922 -2.09703223 0.48382547
C -1.63679814 -2.67130980 0.98828204
C 0.58206347 -3.03890097 0.32873979
C -1.78260267 -4.00475253 1.30143277
H -2.48952556 -2.02131197 1.15590175
C 0.45975191 -4.40302656 0.62763429
C -0.72815763 -4.89268778 1.11614861
H -2.72326536 -4.37064551 1.69453828
H -0.83852344 -5.94246065 1.34928041
C 1.08646766 -0.29085068 -1.48786264
C 2.18834183 -1.16760572 -1.42240170
C 1.12825391 0.53982218 -2.63276449
C 3.25520661 -1.17287299 -2.33208457
C 2.14690786 0.52623916 -3.56085978
H 0.29147126 1.19889211 -2.82258092
C 3.24814406 -0.30796617 -3.39938425
H 2.09199762 1.16911224 -4.43010645
H 4.06197062 -0.29919365 -4.11079948
C -0.51773027 1.95072093 -0.57370291
C -1.71568988 2.43954487 -1.13301535
C 0.48860584 2.93223701 -0.52870450
C -1.89857225 3.72382951 -1.59523947
H -2.54896674 1.75440634 -1.23128639
C 0.33002250 4.25265797 -0.97336747
C -0.86814992 4.65446365 -1.51399132
H -2.84967673 4.01311241 -2.02443195
H -1.00421760 5.66664444 -1.86818612
C 1.22642915 0.19518152 1.32080953
C 2.20596110 1.20782189 1.29263882
C 1.39925273 -0.68611129 2.41676649
C 3.24484936 1.33482146 2.22618574
C 2.39474771 -0.56451664 3.36245137
H 0.66797471 -1.46834393 2.57040079
C 3.34850356 0.44151340 3.26539411
H 2.43210511 -1.25427319 4.19564291
H 4.13487489 0.53572536 4.00092319
H -4.97975856 0.58360714 2.69321194
H -5.27453718 -1.19591189 -1.93058699
H 1.29571388 -5.07463845 0.46223503
H 4.07379274 -1.87417385 -2.20489130
H 1.14955965 4.95844470 -0.88426709
H 3.94833156 2.15766371 2.14712939
P -4.08939183 0.12857448 0.16025872
P 2.10944662 2.56468733 0.12747474
P 2.19102201 -2.54528624 -0.27874793
C -4.82586224 1.74008896 -0.28901628
C -4.49466935 2.88866804 0.42255890
C -5.70401371 1.82753937 -1.36514627
C -5.05165636 4.10479432 0.07239953
H -3.79248029 2.82695231 1.24087107
C -6.25596171 3.04707473 -1.71206013
H -5.95324918 0.94191875 -1.93196532
C -5.93472167 4.18653742 -0.99168806
H -4.78937481 4.99265727 0.62879230
H -6.93795072 3.10980309 -2.54755918
H -6.36737685 5.13795207 -1.26449992
C -5.53825949 -0.87238945 0.61792461
C -5.40656605 -2.25736910 0.66327531
C -6.74284209 -0.28338458 0.98938803
C -6.46905651 -3.04105731 1.07237862
H -4.47287925 -2.71187002 0.36322692
C -7.80240432 -1.07316245 1.39918497
H -6.85341810 0.79229514 0.95227557
C -7.66717707 -2.45081288 1.44299858
H -6.36395651 -4.11552223 1.10349474
H -8.73571740 -0.61066708 1.68596113
H -8.49614391 -3.06392966 1.76429579
C 2.55297161 4.04677114 1.08081980
C 1.69648200 4.36300536 2.13298174
C 3.64559241 4.85747460 0.80544960
C 1.93424110 5.48312179 2.90406913
H 0.84716081 3.72028537 2.32673208
C 3.87777010 5.98064288 1.58216042
H 4.30882425 4.61398125 -0.01381830
C 3.02593194 6.29365331 2.62775400
H 1.26985318 5.72947199 3.71901435
H 4.72552323 6.61471239 1.36693703
H 3.21101354 7.17213519 3.22804622
C 3.38845682 2.47092279 -1.16101592
C 4.57638873 1.79921555 -0.89872935
C 3.21207829 3.11703816 -2.37907348
C 5.58181762 1.77493898 -1.84783449
H 4.70658368 1.30434175 0.05279201
C 4.22691036 3.10194363 -3.31839318
H 2.27867073 3.61981914 -2.58726018
C 5.41048860 2.43157028 -3.05529413
H 6.50238387 1.24672417 -1.64483889
H 4.09303133 3.60990375 -4.26223675
H 6.19918018 2.41778809 -3.79315738
C 3.45613802 -2.42698587 1.02044925
C 4.51397211 -1.53981759 0.87661683
C 3.40716425 -3.28267609 2.11618407
C 5.51584221 -1.50215429 1.82973770
H 4.53902773 -0.88621570 0.01708128
C 4.41515913 -3.24536694 3.06069676
H 2.57326407 -3.96116269 2.22783181
C 5.46932767 -2.35610694 2.91886938
H 6.33686676 -0.80763057 1.72303419
H 4.37991740 -3.90902414 3.91249636
H 6.25310496 -2.32713170 3.66153308
C 2.77519817 -3.94678234 -1.28159907
C 1.96355937 -4.31089881 -2.35358451
C 3.96668519 -4.62304942 -1.05460733
C 2.34010265 -5.34544556 -3.18675877
H 1.03816222 -3.77324576 -2.51489537
C 4.33901059 -5.66009773 -1.89363525
H 4.60131529 -4.34218765 -0.22500763
C 3.52966291 -6.02135442 -2.95710268
H 1.70966322 -5.62782954 -4.01683130
H 5.26560733 -6.18640085 -1.71530460
H 3.82576937 -6.83030270 -3.60849982
130
conf 113  E=-192.86372959 Eh  dE=0.755 kcal/mol  pop=0.35%
Ir -0.38448951 -0.07986956 -0.01915964
C -1.72818203 0.50421091 1.55296740
C -1.23036431 1.02661537 2.77004952
C -3.13582521 0.45099095 1.56327355
C -2.00013462 1.33798223 3.87077387
H -0.16943311 1.19804069 2.87020525
C -3.94740150 0.75477852 2.66685944
C -3.37891708 1.17254826 3.84512384
H -1.52271072 1.71152792 4.76799325
H -3.98709978 1.38804680 4.71235997
C -1.88090587 -0.71309198 -1.41364358
C -3.28521402 -0.67351472 -1.28812364
C -1.48320399 -1.43322119 -2.56387319
C -4.18799069 -1.24980757 -2.19371957
C -2.34720693 -1.99805890 -3.47737980
H -0.42696246 -1.55404709 -2.75909434
C -3.72251650 -1.91115833 -3.30336089
H -1.95139986 -2.52318672 -4.33768812
H -4.40676941 -2.35872855 -4.01064992
C -0.48996574 -2.10935068 0.49441326
C -1.69034259 -2.66384083 0.98349926
C 0.53393364 -3.06622125 0.36384558
C -1.85980702 -3.99305692 1.30248836
H -2.53626280 -2.00076452 1.13346444
C 0.38808224 -4.42647568 0.66995403
C -0.81472618 -4.89663698 1.14080072
H -2.81183518 -4.34376562 1.68192836
H -0.94378812 -5.94327502 1.37844190
C 1.10575682 -0.34188312 -1.46790147
C 2.19598838 -1.23039959 -1.37323715
C 1.18006628 0.47868668 -2.61844720
C 3.28112132 -1.25500341 -2.26065429
C 2.21775577 0.44691222 -3.52474609
H 0.35445060 1.14480052 -2.83112075
C 3.30616100 -0.39790087 -3.33398395
H 2.18816773 1.08364408 -4.39972312
H 4.13472865 -0.40310761 -4.02821012
C -0.48925492 1.92700536 -0.60803587
C -1.67117518 2.42097718 -1.19615118
C 0.52561736 2.89920305 -0.55386320
C -1.83217069 3.70141869 -1.67675623
H -2.50879907 1.74258323 -1.30364595
C 0.38827414 4.21632716 -1.01518873
C -0.79480775 4.62330480 -1.58443900
H -2.77112219 3.99442426 -2.12947409
H -0.91399252 5.63279705 -1.95215017
C 1.20188087 0.17535745 1.33719409
C 2.19305162 1.17676590 1.31462444
C 1.34552098 -0.69463636 2.44630315
C 3.21703090 1.30311979 2.26462963
C 2.32511569 -0.57237882 3.40841278
H 0.60441194 -1.46864756 2.59441078
C 3.29201677 0.42151196 3.31624538
H 2.34006570 -1.25247002 4.25020915
H 4.06605885 0.51635553 4.06467168
H -5.02464622 0.65898120 2.58882056
H -5.25544405 -1.19507797 -2.00747628
H 1.21764919 -5.11032887 0.52365480
H 4.08859023 -1.96479987 -2.11150506
H 1.21213960 4.91570577 -0.91597804
H 3.93112841 2.11702763 2.18826534
P -4.09263457 0.15393946 0.08076794
P 2.13071351 2.52349473 0.13541294
P 2.15977393 -2.59747150 -0.21748012
C -4.79774551 1.76767170 -0.40916414
C -4.48782566 2.91962138 0.30645186
C -5.63023222 1.85248667 -1.52124882
C -5.02164904 4.13658908 -0.07549139
H -3.82019328 2.86013588 1.15332033
C -6.15865178 3.07289419 -1.90008408
H -5.86083307 0.96417597 -2.09168185
C -5.85949937 4.21584503 -1.17568652
H -4.77628195 5.02703904 0.48448676
H -6.80452591 3.13367632 -2.76394551
H -6.27347203 5.16803744 -1.47357320
C -5.56380980 -0.81942436 0.52685387
C -5.45105936 -2.20455157 0.60586423
C -6.76838389 -0.20728132 0.85879771
C -6.53167149 -2.96533002 1.01079725
H -4.51771173 -2.67757286 0.33483739
C -7.84623959 -0.97415518 1.26437320
H -6.86407118 0.86859004 0.79506375
C -7.72938680 -2.35190332 1.34322671
H -6.44138725 -4.04012790 1.06791465
H -8.77917914 -0.49359656 1.52107925
H -8.57228870 -2.94716098 1.66184888
C 2.56977886 4.00998472 1.08428679
C 1.69114275 4.34804942 2.11107325
C 3.68056409 4.80270831 0.83005788
C 1.92408966 5.47263192 2.87708285
H 0.82833069 3.71889516 2.28901516
C 3.90816206 5.93016303 1.60191240
H 4.36175980 4.54185837 0.03111574
C 3.03365978 6.26545432 2.62157167
H 1.24203788 5.73624638 3.67177679
H 4.77056928 6.54988414 1.40360773
H 3.21502508 7.14748681 3.21775972
C 3.43214828 2.40770497 -1.12876870
C 4.60866648 1.72668865 -0.84040718
C 3.28457440 3.04749383 -2.35409281
C 5.63208559 1.68866407 -1.76976996
H 4.71645668 1.23530700 0.11572575
C 4.31659923 3.01749850 -3.27398904
H 2.35986712 3.55725251 -2.58302184
C 5.48961320 2.33948359 -2.98402176
H 6.54427704 1.15454487 -1.54553677
H 4.20502762 3.52003611 -4.22366670
H 6.29207441 2.31517953 -3.70661841
C 3.39928471 -2.47982582 1.10599981
C 3.31827979 -3.32365185 2.20897966
C 4.47015426 -1.60641973 0.97439292
C 4.30796747 -3.28871558 3.17279789
H 2.47408432 -3.99088828 2.31094865
C 5.45382887 -1.57150772 1.94631403
H 4.51928356 -0.96111107 0.10957605
C 5.37575565 -2.41407087 3.04255682
H 4.24783892 -3.94297087 4.03046657
H 6.28529156 -0.88817054 1.84879600
H 6.14559314 -2.38744597 3.79974870
C 2.74946375 -4.01426577 -1.19523790
C 3.92994285 -4.69901440 -0.93775934
C 1.95739898 -4.38009721 -2.28115195
C 4.31119997 -5.74549453 -1.76080673
H 4.54904215 -4.41692341 -0.09692625
C 2.34282059 -5.42416816 -3.09835842
H 1.04010564 -3.83628051 -2.46626272
C 3.52166315 -6.10790303 -2.83873201
H 5.22939367 -6.27799828 -1.55899752
H 1.72774228 -5.70774987 -3.93948525
H 3.82502071 -6.92376698 -3.47806362
130
conf 114  E=-192.86372719 Eh  dE=0.756 kcal/mol  pop=0.35%
Ir 0.20047793 -0.30199920 -0.05473183
C -0.74476174 0.84204012 1.42454640
C -0.03842934 1.30890071 2.55849907
C -2.08879238 1.26919217 1.41509619
C -0.59486455 2.08828670 3.55035509
H 0.98643101 0.98892318 2.69434862
C -2.66284823 2.09948886 2.38795348
C -1.91261185 2.52115823 3.45966169
H -0.00266388 2.36730983 4.41233111
H -2.34531055 3.15010902 4.22486800
C -1.51033061 -1.41372143 -0.54121335
C -2.85167962 -1.00301582 -0.43680693
C -1.38802312 -2.72540667 -1.04365045
C -3.95248470 -1.79195566 -0.80083672
C -2.44772836 -3.52017955 -1.42079862
H -0.39337559 -3.14355617 -1.15614649
C -3.75343304 -3.05488690 -1.30540438
H -2.26537225 -4.51543906 -1.80698324
H -4.59168331 -3.67244640 -1.59633304
C 0.51012540 -1.85697728 1.37846782
C -0.18755884 -1.82452735 2.60871569
C 1.34596636 -2.98671568 1.29473633
C 0.00807620 -2.70670580 3.64943712
H -0.92661153 -1.05252253 2.76662198
C 1.57074139 -3.89793160 2.33634901
C 0.92367988 -3.74556305 3.53741690
H -0.55639967 -2.58803455 4.56573363
H 1.10196078 -4.42793528 4.35655913
C 1.29315554 -1.20736259 -1.65334847
C 1.90081208 -2.47727161 -1.68975483
C 1.45986667 -0.52390141 -2.88023616
C 2.47837884 -3.05971202 -2.82712248
C 2.03109302 -1.06487120 -4.01251849
H 1.11280209 0.49604748 -2.95774876
C 2.52039805 -2.36514343 -4.01062222
H 2.09394085 -0.47188852 -4.91619644
H 2.94171476 -2.80811755 -4.90209792
C -0.41849624 1.23510239 -1.34068789
C -1.25675300 0.97642534 -2.45179076
C -0.13257495 2.60855972 -1.19404839
C -1.73472803 1.94811672 -3.30534419
H -1.49361830 -0.05263546 -2.68896990
C -0.64380789 3.61803693 -2.02192142
C -1.45606753 3.29137822 -3.08139000
H -2.33274426 1.66570845 -4.16218996
H -1.84586143 4.05737535 -3.73688210
C 2.03393365 0.59750190 0.41605055
C 2.33536472 1.97155951 0.43580488
C 3.13999045 -0.19876703 0.77385464
C 3.58734179 2.50273219 0.77692147
C 4.37776526 0.29139118 1.12572972
H 3.01328146 -1.27647430 0.78800852
C 4.61537643 1.66187409 1.13163279
H 5.17296384 -0.39246388 1.39587013
H 5.58469349 2.05684152 1.40160763
H -3.70704472 2.38559013 2.31039949
H -4.96111197 -1.41303579 -0.67316007
H 2.24935323 -4.72968210 2.19064175
H 2.89295182 -4.05936031 -2.77047530
H -0.37489646 4.65449189 -1.84368323
H 3.75009435 3.57508419 0.74997161
P -3.27165994 0.59417235 0.24927434
P 1.10898439 3.18336317 -0.03617030
P 2.14511366 -3.49009026 -0.23046473
C -3.87131414 1.79284300 -0.97891813
C -3.76039101 3.15394509 -0.72867711
C -4.51812430 1.34758928 -2.12703631
C -4.29206782 4.06612475 -1.62265508
H -3.26049294 3.48658279 0.16921320
C -5.05498621 2.26341210 -3.01196282
H -4.58428130 0.28765235 -2.32659658
C -4.94362608 3.62218891 -2.76092226
H -4.20113543 5.12556968 -1.43041678
H -5.55951541 1.91886468 -3.90299709
H -5.36189570 4.33496997 -3.45641298
C -4.75641750 0.26631287 1.24975574
C -4.60649696 -0.67266069 2.26781915
C -5.98595856 0.87895037 1.04831584
C -5.67935178 -0.99702236 3.07386322
H -3.64161516 -1.14284923 2.40767700
C -7.05895225 0.54899682 1.85976331
H -6.10668018 1.60833019 0.25872123
C -6.90814093 -0.38631065 2.86915196
H -5.56273006 -1.72708279 3.86105436
H -8.01633434 1.02364456 1.70030950
H -7.74913379 -0.64135982 3.49691317
C 0.44541343 4.13577805 1.36279626
C -0.80361813 4.73377549 1.26354237
C 1.22581248 4.33956850 2.49610050
C -1.27123025 5.53133693 2.29272560
H -1.39730678 4.57172255 0.37578995
C 0.75703691 5.14450373 3.51709390
H 2.18862221 3.85552819 2.57643740
C -0.48989061 5.74173161 3.41641555
H -2.24528388 5.99303223 2.21749099
H 1.36326253 5.30555496 4.39677467
H -0.85369423 6.36857737 4.21731164
C 2.05191811 4.43492381 -0.96180721
C 2.70630728 3.97877669 -2.10377167
C 2.15574330 5.76865585 -0.58997775
C 3.45964070 4.85049967 -2.86442682
H 2.61590675 2.93498581 -2.37584929
C 2.91389888 6.63826082 -1.35643291
H 1.64961701 6.12648710 0.29644543
C 3.56491311 6.18222715 -2.48985364
H 3.96826070 4.49589299 -3.74862226
H 2.99706457 7.67520022 -1.06463457
H 4.15651415 6.86449957 -3.08223546
C 3.95438964 -3.66741543 -0.05979711
C 4.78228457 -2.69925039 -0.62250987
C 4.52416203 -4.73279010 0.63156535
C 6.15513296 -2.79639778 -0.49310428
H 4.34572964 -1.87348996 -1.16574747
C 5.89843029 -4.82358185 0.76018576
H 3.89859758 -5.50649716 1.05492779
C 6.71662876 -3.85631995 0.20009619
H 6.78813782 -2.04224280 -0.93733887
H 6.33215382 -5.65547334 1.29598383
H 7.78940610 -3.93273488 0.29961963
C 1.57629458 -5.19803299 -0.52048590
C 2.35651949 -6.13159494 -1.19666071
C 0.30817665 -5.56207239 -0.07461420
C 1.87275533 -7.40768531 -1.42311401
H 3.35186676 -5.87127908 -1.53111306
C -0.16990220 -6.83854792 -0.30402112
H -0.29602002 -4.84367130 0.46080582
C 0.60976651 -7.76342900 -0.97952452
H 2.48651910 -8.12801005 -1.94433459
H -1.15309305 -7.11287801 0.04930848
H 0.23722812 -8.76181080 -1.15537682
130
conf 115  E=-192.86369210 Eh  dE=0.778 kcal/mol  pop=0.34%
Ir 0.18754062 0.28642903 -0.02056461
C -1.39777398 1.51034422 0.59677305
C -1.14336192 2.82267614 1.04124954
C -2.76525311 1.18428014 0.65027000
C -2.10419145 3.69669369 1.49867008
H -0.11676886 3.17360704 1.04018842
C -3.77033328 2.05462637 1.09517846
C -3.44165563 3.31670084 1.53001815
H -1.81935486 4.68694052 1.83203302
H -4.20482140 3.99664434 1.88172709
C -0.98061597 -0.86222199 -1.33149575
C -2.33708375 -1.20656553 -1.15471092
C -0.42855652 -1.43894452 -2.50070850
C -3.05932321 -2.05119259 -2.00958183
C -1.13174623 -2.23630767 -3.37892676
H 0.59271260 -1.19433480 -2.76242836
C -2.45552940 -2.57690196 -3.12679029
H -0.65143999 -2.60166495 -4.27748321
H -3.00410008 -3.21677727 -3.80351053
C -0.37043776 -1.14912878 1.39839121
C -1.04857705 -0.78732876 2.58643150
C -0.17655872 -2.54208828 1.29262177
C -1.47142155 -1.68756840 3.54119858
H -1.19592970 0.26420668 2.79542335
C -0.63695109 -3.47878993 2.22853570
C -1.29723667 -3.05418465 3.35681694
H -1.94262705 -1.32970252 4.44752253
H -1.64644858 -3.76386423 4.09354015
C 1.90943889 -0.73670411 -0.64247993
C 2.12129101 -2.12734077 -0.63682638
C 3.02051319 -0.02603323 -1.14113419
C 3.29161395 -2.75226139 -1.09099029
C 4.17853708 -0.61076506 -1.60350484
H 2.96484032 1.05658029 -1.17938343
C 4.32467162 -1.99387003 -1.58769145
H 4.98277796 0.00865553 -1.98082753
H 5.23050156 -2.46137994 -1.94748138
C 0.47163748 1.75770045 -1.54700591
C -0.24259106 1.67378522 -2.76472131
C 1.34401682 2.86340236 -1.54270151
C -0.03430750 2.48718741 -3.85856116
H -1.00650950 0.91722765 -2.86781787
C 1.58561938 3.70219824 -2.64026201
C 0.91621291 3.49965662 -3.82186589
H -0.61462795 2.33178222 -4.75933001
H 1.10686324 4.12289258 -4.68425490
C 1.51556750 1.14996090 1.41548551
C 2.16836022 2.39697810 1.38482686
C 1.85110278 0.42277707 2.58154878
C 2.95327196 2.91784955 2.42326240
C 2.61865921 0.90697246 3.61891266
H 1.47954802 -0.58586454 2.68998667
C 3.15996891 2.18527050 3.56558846
H 2.80185144 0.28484611 4.48592185
H 3.74675158 2.58118274 4.38246124
H -4.80815924 1.73852036 1.08656740
H -4.10359664 -2.26595724 -1.80522555
H -0.44699291 -4.53665972 2.07680019
H 3.38891982 -3.83158962 -1.03897436
H 2.30186765 4.51115834 -2.55412870
H 3.40893527 3.89524650 2.31969036
P -3.34688956 -0.41145725 0.09433218
P 2.17717581 3.44944900 -0.06790613
P 0.89260403 -3.24015914 0.03440607
C -4.91556527 -0.04192775 -0.75020258
C -4.82648372 0.81254613 -1.84672709
C -6.15107493 -0.53803644 -0.35602228
C -5.96573588 1.16793401 -2.54082985
H -3.85484515 1.19204429 -2.13603853
C -7.29060316 -0.17714769 -1.05572154
H -6.22334814 -1.20015675 0.49632141
C -7.20000817 0.67352803 -2.14424611
H -5.89657879 1.83178969 -3.38985354
H -8.25253745 -0.55962602 -0.74614055
H -8.09237439 0.95307924 -2.68449047
C -3.86306552 -1.50667741 1.45051520
C -4.32697117 -0.96155553 2.64326577
C -3.87171655 -2.88293051 1.26744540
C -4.80213203 -1.79264591 3.64002241
H -4.29957956 0.10890769 2.78839242
C -4.33948223 -3.71043461 2.27273477
H -3.51536471 -3.29451962 0.33444261
C -4.80927029 -3.16660611 3.45636505
H -5.16505702 -1.36951548 4.56551092
H -4.34056750 -4.78183959 2.13228275
H -5.17742504 -3.81325839 4.23928391
C 1.49564990 5.11429953 0.24634626
C 0.25148448 5.44520001 -0.28422550
C 2.17639459 6.04914593 1.02088577
C -0.30045971 6.68915984 -0.04194358
H -0.28045458 4.72386868 -0.88768259
C 1.61843496 7.29154287 1.26206720
H 3.15265394 5.81782787 1.42327495
C 0.37948793 7.61405241 0.73332865
H -1.26574657 6.93535826 -0.45934139
H 2.15543573 8.01230537 1.86162989
H -0.05186013 8.58615168 0.92177555
C 3.93908704 3.76529376 -0.41059761
C 4.86230952 2.76670803 -0.11035876
C 4.37988130 4.95351854 -0.98597536
C 6.20421701 2.95587060 -0.38215619
H 4.52460541 1.84775305 0.34739521
C 5.72452583 5.13753480 -1.25465225
H 3.67707264 5.74551237 -1.20840472
C 6.63827103 4.14053563 -0.95517057
H 6.91355978 2.17757503 -0.14136836
H 6.05994758 6.06490401 -1.69603808
H 7.68753614 4.28991847 -1.16293421
C 1.87318946 -4.49276379 0.91951978
C 1.84066561 -5.85239723 0.63981767
C 2.70070768 -4.01154221 1.93142901
C 2.63587229 -6.72261790 1.36703179
H 1.19989992 -6.23075314 -0.14520698
C 3.49060933 -4.88381664 2.65346756
H 2.71635749 -2.94823366 2.13327595
C 3.45947835 -6.24158887 2.37038840
H 2.61248721 -7.77999690 1.14626393
H 4.13388392 -4.50888970 3.43569860
H 4.07899798 -6.92479389 2.93234323
C 0.01806282 -4.22834555 -1.21599255
C 0.65094714 -4.55889253 -2.40976200
C -1.24733434 -4.72854317 -0.94010352
C 0.02002534 -5.39225376 -3.31399247
H 1.62725711 -4.15077976 -2.62867298
C -1.87755099 -5.55520379 -1.85305922
H -1.72619636 -4.46800132 -0.00762841
C -1.24288173 -5.89220799 -3.03665470
H 0.51200568 -5.65196588 -4.24013624
H -2.86430036 -5.94072975 -1.63998354
H -1.73344597 -6.54207224 -3.74639380
130
conf 116  E=-192.86364265 Eh  dE=0.809 kcal/mol  pop=0.32%
Ir 0.07749488 -0.32425122 -0.05865975
C -0.87049948 0.88450497 1.36202970
C -0.21042905 1.25210501 2.55864884
C -2.16707490 1.42979894 1.27316780
C -0.76537232 2.05229485 3.53426362
H 0.77054328 0.83968753 2.75388834
C -2.73919838 2.27217092 2.23678587
C -2.03333227 2.59752426 3.37044353
H -0.21217063 2.25736620 4.44173248
H -2.46569476 3.23697830 4.12708685
C -1.68308123 -1.23031952 -0.75069021
C -2.97803315 -0.68297990 -0.75090708
C -1.64546584 -2.52620342 -1.30297554
C -4.11078396 -1.33167345 -1.26335676
C -2.73559124 -3.18319211 -1.82764464
H -0.69242149 -3.04214021 -1.31448916
C -3.99030127 -2.58268233 -1.81931841
H -2.62386091 -4.17638618 -2.24463762
H -4.85246117 -3.09194090 -2.22648629
C -0.06819551 -1.97779769 1.30625736
C -1.02539314 -1.91759126 2.34693703
C 0.45076588 -3.28169056 1.16473700
C -1.42753157 -2.98923131 3.11457588
H -1.48839447 -0.96796676 2.57292182
C 0.04743414 -4.39577376 1.91571199
C -0.90303521 -4.25669430 2.89719984
H -2.17039452 -2.84437239 3.88943639
H -1.23042414 -5.10696791 3.47909458
C 1.30127763 -1.32510214 -1.51685555
C 1.91432694 -2.59253677 -1.42970229
C 1.65896407 -0.66210749 -2.71347972
C 2.71311594 -3.16997193 -2.42923966
C 2.46028583 -1.19393615 -3.70193856
H 1.28285857 0.33566770 -2.88594219
C 2.98551428 -2.47397668 -3.58148548
H 2.67434899 -0.61146022 -4.58928109
H 3.59171772 -2.90852452 -4.36422224
C -0.26099596 1.27142358 -1.37872886
C -1.03066290 1.10178376 -2.55517787
C 0.12505780 2.61395979 -1.18444340
C -1.37954330 2.12646381 -3.40906269
H -1.32323647 0.09965092 -2.83941260
C -0.25186124 3.67822638 -2.01595119
C -1.02061752 3.44027716 -3.12964654
H -1.93707942 1.90920018 -4.31110031
H -1.31318709 4.24873412 -3.78467470
C 1.92365462 0.39332751 0.59389430
C 2.40122275 1.71669275 0.58433226
C 2.87257372 -0.51800248 1.09329191
C 3.68710458 2.09417923 0.99497097
C 4.13816708 -0.18023482 1.51583935
H 2.57655367 -1.55914880 1.16243745
C 4.56456108 1.14313644 1.45999269
H 4.80735979 -0.94460321 1.89000937
H 5.56069127 1.41855934 1.77663937
H -3.74980279 2.64432734 2.10241639
H -5.08368866 -0.85421484 -1.20888392
H 0.47545859 -5.37149423 1.71214427
H 3.09851458 -4.17692605 -2.29839613
H 0.08594958 4.68561712 -1.79402011
H 3.99432656 3.13307721 0.93449573
P -3.30844752 0.90994886 -0.00746797
P 1.34701049 3.05481685 0.04813788
P 1.77076193 -3.64273064 0.01160488
C -3.69459398 2.22481941 -1.20229107
C -3.48431511 3.55308827 -0.85571995
C -4.27069183 1.91068285 -2.42835624
C -3.85166947 4.56206648 -1.72776993
H -3.03840978 3.78538876 0.10026611
C -4.64429256 2.92343210 -3.29186869
H -4.41181019 0.87546163 -2.70347938
C -4.43729119 4.24866743 -2.94276851
H -3.68457142 5.59506464 -1.45827689
H -5.09570166 2.68051265 -4.24278751
H -4.72924210 5.03718270 -3.62079099
C -4.88428620 0.66522941 0.86775242
C -4.89620592 -0.35564953 1.81560122
C -6.02724239 1.42216766 0.64843569
C -6.04484857 -0.61645353 2.53566475
H -3.99720920 -0.93875727 1.96851071
C -7.17661466 1.15497446 1.37374105
H -6.02050519 2.21491255 -0.08767434
C -7.18699402 0.13944095 2.31457513
H -6.05458263 -1.40952312 3.26859780
H -8.06700185 1.74223137 1.20153912
H -8.08662000 -0.06501643 2.87604934
C 0.69026864 4.02353890 1.43820998
C -0.50182754 4.72135243 1.29841657
C 1.42197081 4.12400116 2.61686144
C -0.96249789 5.51389675 2.33438719
H -1.05678621 4.63802370 0.37549733
C 0.96087150 4.92432413 3.64485418
H 2.34025988 3.56430387 2.72451388
C -0.23020891 5.61956451 3.50500885
H -1.89310275 6.05286300 2.22886745
H 1.52871487 5.00490789 4.56042050
H -0.58945624 6.24090318 4.31218915
C 2.44734887 4.22957752 -0.79708564
C 3.11982252 3.73754849 -1.91345416
C 2.63072681 5.54789316 -0.40144207
C 3.96939065 4.55990916 -2.62632399
H 2.96521238 2.70642764 -2.20422328
C 3.48478823 6.36754443 -1.12041588
H 2.10961765 5.93178922 0.46518612
C 4.15212268 5.87687231 -2.22981455
H 4.49115523 4.17862805 -3.49152579
H 3.62855301 7.39296181 -0.81204587
H 4.81625888 6.52105217 -2.78688730
C 3.35992163 -3.73314502 0.91625451
C 4.56767800 -3.51018285 0.26471697
C 3.35710483 -4.03592243 2.27539717
C 5.75859357 -3.61515456 0.96107049
H 4.57357303 -3.23519482 -0.77951254
C 4.55068691 -4.13716471 2.96583700
H 2.41683338 -4.17617767 2.79078293
C 5.75387143 -3.93516863 2.30885435
H 6.69418426 -3.43989478 0.45030715
H 4.54193314 -4.37102013 4.02049782
H 6.68543143 -4.01500118 2.84982113
C 1.56862961 -5.35986352 -0.56988748
C 0.66526435 -5.61933594 -1.59599390
C 2.26337146 -6.41518974 0.01275789
C 0.45422893 -6.91575320 -2.02602587
H 0.13825232 -4.79909560 -2.06176002
C 2.04821799 -7.71147072 -0.42086612
H 2.97411539 -6.22430340 0.80529310
C 1.14217007 -7.96468793 -1.43701819
H -0.24839998 -7.10994977 -2.82298904
H 2.58985585 -8.52594273 0.03797086
H 0.97507925 -8.97789151 -1.77137037
130
conf 117  E=-192.86362700 Eh  dE=0.819 kcal/mol  pop=0.32%
Ir -0.34261424 0.10632322 -0.01879177
C -1.73441464 1.07372939 1.29625155
C -1.23643518 1.88397655 2.34294343
C -3.11250261 1.29299672 1.08754978
C -1.98122149 2.80728323 3.04567709
H -0.19675610 1.78624253 2.62288912
C -3.88760085 2.24764965 1.75994612
C -3.32001033 3.02089770 2.74371970
H -1.51377266 3.38721295 3.83196403
H -3.89989481 3.76912536 3.26606488
C -1.77919703 -0.57224783 -1.46688801
C -3.18420885 -0.49138147 -1.40520773
C -1.35857850 -1.31490709 -2.59602753
C -4.06565809 -1.01348631 -2.36612103
C -2.19932605 -1.85554705 -3.54518675
H -0.30253641 -1.48039127 -2.74806310
C -3.57621004 -1.69573976 -3.45230682
H -1.78088093 -2.40533963 -4.37915627
H -4.24061112 -2.09827097 -4.20414082
C -0.63153071 -1.81023403 0.75159217
C -1.86598134 -2.12912156 1.35048758
C 0.27658342 -2.88300345 0.78531173
C -2.16771847 -3.34538217 1.92024757
H -2.62590596 -1.35599109 1.38324496
C -0.00472440 -4.13928530 1.34057821
C -1.23064934 -4.37405538 1.91666167
H -3.13831623 -3.50538142 2.37265520
H -1.46057280 -5.33550425 2.35410940
C 1.18713636 -0.42859376 -1.34986313
C 2.09599479 -1.49671724 -1.21259864
C 1.40360541 0.31061007 -2.53847785
C 3.12037143 -1.78966927 -2.12440819
C 2.38455865 0.02340273 -3.46345599
H 0.72240792 1.11665271 -2.77591109
C 3.27684945 -1.02120430 -3.25308670
H 2.46054854 0.61306272 -4.36784611
H 4.05486140 -1.24150336 -3.97027243
C -0.27269479 2.07489982 -0.74127425
C -1.43153016 2.67590311 -1.27113256
C 0.82675682 2.95190723 -0.71942490
C -1.49985659 3.97207532 -1.72975444
H -2.33479547 2.07769952 -1.31582763
C 0.78747632 4.27938827 -1.16893645
C -0.37942291 4.79499355 -1.68069372
H -2.43050232 4.36098024 -2.12397884
H -0.42548653 5.81726264 -2.02898014
C 1.19868981 0.37319770 1.37533251
C 2.34918513 1.16780155 1.19678295
C 1.23292911 -0.35653365 2.58753069
C 3.44254554 1.19139784 2.07390428
C 2.28288996 -0.32584425 3.48011793
H 0.36597141 -0.94290059 2.86133046
C 3.42221539 0.42576857 3.21475832
H 2.22231869 -0.88969056 4.40225291
H 4.25649987 0.43282890 3.90197556
H -4.92875493 2.39048079 1.48966346
H -5.13559390 -0.86381508 -2.25417785
H 0.73878592 -4.92889519 1.30564243
H 3.77139978 -2.64138356 -1.95360821
H 1.67147900 4.90468748 -1.09895732
H 4.29382965 1.83103013 1.86344454
P -4.05316953 0.27184101 -0.04362092
P 2.41058866 2.42223995 -0.08009920
P 1.91155494 -2.72087579 0.08193353
C -5.41047743 1.25371374 -0.76572923
C -5.14224123 2.02471742 -1.89328757
C -6.69282760 1.25392408 -0.22718024
C -6.13870647 2.79222604 -2.46559593
H -4.15372414 2.00648959 -2.32944217
C -7.68753761 2.02400224 -0.80424660
H -6.91763259 0.64667319 0.63903122
C -7.41280763 2.79569710 -1.92072817
H -5.92291698 3.38560893 -3.34193133
H -8.68167271 2.01813884 -0.38143961
H -8.19214366 3.39372238 -2.36940386
C -4.94503961 -1.00564185 0.91629669
C -5.17624571 -2.27089314 0.38796941
C -5.39170351 -0.70662613 2.20095992
C -5.87155223 -3.21262333 1.12477650
H -4.79272237 -2.52430824 -0.58929382
C -6.08780453 -1.65188221 2.93189806
H -5.17666826 0.26149388 2.63218882
C -6.33665256 -2.90355374 2.39241922
H -6.04510660 -4.19457319 0.70929621
H -6.43357500 -1.41240959 3.92705658
H -6.88043608 -3.64073246 2.96476895
C 3.08855036 3.88031666 0.76953729
C 2.31014192 4.39748340 1.80262608
C 4.31294694 4.46047787 0.46600848
C 2.75406716 5.48873639 2.52249094
H 1.35756137 3.93293115 2.02255056
C 4.75253532 5.55514071 1.19173509
H 4.91961166 4.05984401 -0.33501755
C 3.97703860 6.06844875 2.21728692
H 2.15018306 5.89063127 3.32249729
H 5.70467676 6.00740321 0.95472008
H 4.32538823 6.92175829 2.78023844
C 3.63634239 2.08997754 -1.38011798
C 4.65329513 1.17136890 -1.15808888
C 3.59490498 2.80864233 -2.57035905
C 5.62281520 0.96906897 -2.12376261
H 4.67439915 0.62320169 -0.22775971
C 4.57068246 2.60742473 -3.52802434
H 2.79101922 3.50987702 -2.74363209
C 5.58490375 1.68890463 -3.30612052
H 6.41165884 0.25035531 -1.95420625
H 4.54051816 3.16518676 -4.45268724
H 6.34385863 1.53196410 -4.05846966
C 3.22440538 -2.60986028 1.33398895
C 3.05502068 -3.19516735 2.58383236
C 4.42564149 -1.98801014 1.01741444
C 4.08932448 -3.16862329 3.50091601
H 2.11118313 -3.65768839 2.83418343
C 5.45308725 -1.95564073 1.94246987
H 4.54750325 -1.53752954 0.04327944
C 5.28820366 -2.55104945 3.18198033
H 3.96051664 -3.62715434 4.47046911
H 6.38533372 -1.46796418 1.69585036
H 6.09296667 -2.53018399 3.90210340
C 2.21082667 -4.31749201 -0.73262279
C 3.25472431 -5.17549281 -0.41515862
C 1.30072971 -4.66399995 -1.72872058
C 3.38373378 -6.37686669 -1.09217618
H 3.96047977 -4.90706139 0.35969028
C 1.43457742 -5.86304452 -2.39962994
H 0.49163119 -3.98234445 -1.95784559
C 2.47726708 -6.72091813 -2.08054669
H 4.19482984 -7.04691075 -0.84518444
H 0.72784146 -6.13319901 -3.17024278
H 2.58112748 -7.66039050 -2.60307785
130
conf 118  E=-192.86361725 Eh  dE=0.825 kcal/mol  pop=0.31%
Ir -0.35996026 -0.06192233 0.02971606
C -1.66348059 0.79181070 1.51139704
C -1.12349078 1.47033817 2.62973028
C -3.07017856 0.86841179 1.49990463
C -1.86528283 2.07753882 3.62048297
H -0.05073499 1.52539773 2.73900127
C -3.85397031 1.46336725 2.50201909
C -3.25372790 2.06303974 3.58158127
H -1.35919595 2.56493759 4.44450517
H -3.84285255 2.51531897 4.36718300
C -1.89578333 -0.82628105 -1.25912321
C -3.28743370 -0.85510528 -1.02853073
C -1.53240389 -1.68108226 -2.32549727
C -4.19973902 -1.67647338 -1.70509662
C -2.41036594 -2.47636309 -3.03104977
H -0.49332307 -1.72777021 -2.62006371
C -3.76199783 -2.50198858 -2.71237165
H -2.04084209 -3.10262537 -3.83372938
H -4.44989811 -3.14862435 -3.23924131
C -0.54059546 -2.02227007 0.75593872
C -1.76157259 -2.46484089 1.30171962
C 0.43343837 -3.03635589 0.72375236
C -1.99445418 -3.73991289 1.76533736
H -2.57730429 -1.75246390 1.35582767
C 0.22531947 -4.34648641 1.17795533
C -0.99273491 -4.70320100 1.70553527
H -2.96322280 -4.00260574 2.17191972
H -1.16892245 -5.71000560 2.05734737
C 1.10754649 -0.53597924 -1.38905848
C 2.14582653 -1.47528019 -1.22393132
C 1.21818849 0.17807604 -2.60611607
C 3.21108025 -1.64760151 -2.11887221
C 2.23882127 0.00361857 -3.51612978
H 0.43221512 0.87356732 -2.86903579
C 3.27248597 -0.89183187 -3.26482790
H 2.23778715 0.56628583 -4.44094375
H 4.08618325 -1.01316032 -3.96597472
C -0.40691639 1.87508287 -0.74225975
C -1.60325601 2.35989353 -1.30617351
C 0.63909017 2.81219574 -0.81073249
C -1.75128555 3.60363545 -1.87720763
H -2.46380020 1.70031716 -1.30821467
C 0.51759544 4.09250604 -1.36890310
C -0.68074722 4.49185668 -1.91161880
H -2.70427947 3.89483953 -2.30086393
H -0.78832335 5.47348877 -2.35131325
C 1.25388339 0.26919753 1.32588717
C 2.29751075 1.20127250 1.15776900
C 1.39258698 -0.48349639 2.51730621
C 3.37148805 1.35832609 2.04555302
C 2.42198940 -0.32426840 3.42040147
H 0.61321455 -1.18777693 2.77593136
C 3.44412999 0.58623465 3.18033979
H 2.43493907 -0.91010048 4.33036495
H 4.25959317 0.70482942 3.87977680
H -4.93708788 1.43560184 2.42779518
H -5.24691356 -1.67488611 -1.42061204
H 1.01838504 -5.08276144 1.09911887
H 3.97337119 -2.39385162 -1.91822399
H 1.36356967 4.77206062 -1.36202452
H 4.12994750 2.11032140 1.85191840
P -4.06000689 0.25691339 0.14404205
P 2.25294357 2.43118868 -0.14411845
P 2.06351902 -2.72177219 0.05965137
C -4.78525960 1.66975582 -0.76539638
C -5.27147746 1.47662006 -2.05599087
C -4.85302497 2.93347635 -0.18954405
C -5.84480498 2.52861389 -2.74650272
H -5.18296420 0.50517626 -2.52283931
C -5.42632401 3.98201979 -0.88603062
H -4.43865826 3.09967123 0.79387410
C -5.93108359 3.78105162 -2.16014733
H -6.22185354 2.37164287 -3.74669355
H -5.47378002 4.96180915 -0.43354570
H -6.37936955 4.60166591 -2.70084888
C -5.52864998 -0.54720062 0.86823451
C -6.80664631 -0.34789810 0.35660015
C -5.35483198 -1.38486756 1.96632545
C -7.89154815 -0.98688494 0.93101926
H -6.95634735 0.31238883 -0.48675127
C -6.44131886 -2.02096603 2.53607134
H -4.36702016 -1.52201405 2.38214747
C -7.71168296 -1.82545518 2.01822477
H -8.88139315 -0.82602212 0.52917034
H -6.29811090 -2.66729458 3.38956764
H -8.56103005 -2.32068376 2.46501515
C 2.78408506 3.97562895 0.65320645
C 1.94391196 4.45350326 1.65644318
C 3.93646023 4.67397094 0.31956591
C 2.25574744 5.62402762 2.31853046
H 1.04810041 3.89577083 1.89815137
C 4.24324974 5.84801290 0.98747935
H 4.58857464 4.30335371 -0.46004835
C 3.40656981 6.32274264 1.98321059
H 1.60355311 5.99621614 3.09463110
H 5.13844110 6.39403854 0.72739788
H 3.65018921 7.23985863 2.49884800
C 3.51363912 2.14183433 -1.42110488
C 4.62518492 1.36274012 -1.12621646
C 3.40263608 2.74819807 -2.66761321
C 5.62298268 1.19594962 -2.06934865
H 4.70149209 0.89616063 -0.15499009
C 4.40775260 2.58575919 -3.60276199
H 2.52503214 3.33364737 -2.90115751
C 5.51855371 1.81232710 -3.30495888
H 6.48545339 0.58683439 -1.83958193
H 4.32485191 3.06035184 -4.56965204
H 6.30094817 1.68644002 -4.03890000
C 3.34189298 -2.55322460 1.34052990
C 4.47757735 -1.79357748 1.09453339
C 3.21425743 -3.24663543 2.53975100
C 5.47989715 -1.72383310 2.04536493
H 4.56502620 -1.26355325 0.15754893
C 4.22230480 -3.17874526 3.48256787
H 2.31999832 -3.82249020 2.73142934
C 5.35521893 -2.41850367 3.23675604
H 6.36182978 -1.12863888 1.85678908
H 4.12516064 -3.71681428 4.41439234
H 6.13938584 -2.36504418 3.97762168
C 2.52969531 -4.26050931 -0.79085153
C 1.68744556 -4.66106180 -1.82565609
C 3.65456827 -5.01323703 -0.48117472
C 1.96982146 -5.80680089 -2.54235778
H 0.81369279 -4.06276655 -2.05001788
C 3.93172922 -6.16217635 -1.20322711
H 4.31011951 -4.70443017 0.32194304
C 3.09361021 -6.55853326 -2.23134381
H 1.31685293 -6.11731296 -3.34454557
H 4.80583488 -6.74913943 -0.96083490
H 3.31566029 -7.45483788 -2.79146928
130
conf 119  E=-192.86353152 Eh  dE=0.879 kcal/mol  pop=0.29%
Ir 0.09337167 -0.35708132 -0.00695145
C -0.94871924 0.71321512 1.46258964
C -0.34337574 1.08502493 2.68658563
C -2.24048774 1.25932609 1.31732124
C -0.92943265 1.91379622 3.61909486
H 0.62107043 0.66166969 2.93427200
C -2.84228292 2.13264235 2.23413155
C -2.17792840 2.48020073 3.38548442
H -0.41638865 2.12690666 4.54823545
H -2.62751700 3.15167940 4.10347256
C -1.60137883 -1.36567830 -0.72136205
C -2.93592296 -0.92304954 -0.65775322
C -1.48399439 -2.64721513 -1.29669695
C -4.03738338 -1.66554432 -1.10587397
C -2.54548097 -3.39494155 -1.75633819
H -0.49118906 -3.07366249 -1.40084552
C -3.84513216 -2.90897159 -1.65951418
H -2.37296861 -4.36928116 -2.19704992
H -4.68435944 -3.49411112 -2.00848839
C 0.17877706 -2.08036868 1.25634586
C -0.67757344 -2.15669160 2.37867155
C 0.88899386 -3.28363285 1.06388027
C -0.78075480 -3.24579528 3.21757754
H -1.29855215 -1.30406561 2.61435664
C 0.79767214 -4.40969394 1.89456308
C -0.03420020 -4.39400201 2.98697959
H -1.45552746 -3.21020506 4.06370314
H -0.11228649 -5.25391281 3.63749144
C 1.33217757 -1.12279674 -1.58436302
C 1.90839058 -2.40284731 -1.69946542
C 1.64487540 -0.32143317 -2.70746465
C 2.58404853 -2.88579209 -2.82952298
C 2.30950839 -0.76340645 -3.83189199
H 1.34518582 0.71571548 -2.70994640
C 2.75675320 -2.07503418 -3.92480622
H 2.47900199 -0.08048799 -4.65482741
H 3.24957795 -2.43857720 -4.81555984
C -0.34969884 1.27193028 -1.25833828
C -1.10028657 1.08465915 -2.44494085
C 0.04803615 2.61268395 -1.08508402
C -1.39635229 2.08781866 -3.34292227
H -1.40924711 0.08139708 -2.70729182
C -0.27278680 3.65651466 -1.96483571
C -1.00543122 3.39875373 -3.09876304
H -1.93581760 1.85429852 -4.25159594
H -1.24594412 4.19007993 -3.79462624
C 1.87014167 0.43835919 0.76818849
C 2.24798815 1.79076447 0.84692727
C 2.83162694 -0.41887880 1.34183729
C 3.44725655 2.24855745 1.41161083
C 4.00796044 -0.00006573 1.92277698
H 2.62746166 -1.48236982 1.35253313
C 4.33426119 1.35141674 1.95725752
H 4.68515396 -0.72658741 2.35451632
H 5.25962124 1.68880877 2.40256924
H -3.84007738 2.51557811 2.04466804
H -5.04137450 -1.26674174 -1.00501801
H 1.36663635 -5.30400704 1.66404505
H 2.96803483 -3.89936308 -2.83918692
H 0.08526363 4.66212185 -1.76774416
H 3.67982975 3.30861532 1.40968432
P -3.33932060 0.67933543 0.02775302
P 1.19305530 3.08461305 0.20938656
P 2.03255468 -3.50926209 -0.29867063
C -3.74029724 1.92918705 -1.22934423
C -3.51643730 3.27382742 -0.96704303
C -4.35128274 1.54276222 -2.41801454
C -3.89619196 4.22898093 -1.89293255
H -3.04501434 3.55757129 -0.03754774
C -4.73437113 2.50221406 -3.33571408
H -4.50846767 0.49284920 -2.62144959
C -4.50825145 3.84495634 -3.07428160
H -3.71745367 5.27584017 -1.69285580
H -5.20877202 2.20471058 -4.25971945
H -4.80652342 4.59177676 -3.79542703
C -4.93124553 0.44680897 0.87815289
C -4.94778966 -0.50634132 1.89390740
C -6.08042528 1.17138754 0.58979348
C -6.10596042 -0.73415303 2.61013789
H -4.04305061 -1.06199981 2.10429581
C -7.23915154 0.93840137 1.31161790
H -6.07169546 1.91380822 -0.19717569
C -7.25367237 -0.01081100 2.31926459
H -6.11846811 -1.47378823 3.39657629
H -8.13302494 1.50184413 1.08526691
H -8.15999769 -0.18770980 2.87915270
C 0.40731052 4.06463552 1.52345445
C -0.75401997 4.77637887 1.24877407
C 0.99505119 4.15568924 2.78022195
C -1.32163390 5.57723591 2.22305159
H -1.20200384 4.70142213 0.26849950
C 0.43007803 4.96774571 3.74617023
H 1.88464799 3.58217078 2.99768180
C -0.72672381 5.67890090 3.46954004
H -2.22763199 6.12623312 2.00939289
H 0.88991653 5.04339305 4.72082274
H -1.16723520 6.30939785 4.22792522
C 2.34448582 4.24903664 -0.57928341
C 3.12468889 3.72087724 -1.60538658
C 2.49013669 5.57893835 -0.20911577
C 4.04486845 4.51929763 -2.25455845
H 2.99938288 2.67995159 -1.87477430
C 3.41560528 6.37465095 -0.86407818
H 1.88593393 5.98885780 0.58921713
C 4.19138854 5.84785592 -1.88272412
H 4.65181390 4.10926993 -3.04814930
H 3.53235455 7.40907330 -0.57519934
H 4.91345189 6.47247610 -2.38726722
C 3.77312846 -3.41237252 0.24895991
C 4.63063473 -2.46872716 -0.30771470
C 4.24092989 -4.26045246 1.24854791
C 5.94333609 -2.38866892 0.11905456
H 4.26283559 -1.79305211 -1.06578871
C 5.55421254 -4.17427501 1.67266632
H 3.57768716 -4.98827420 1.69384728
C 6.40850388 -3.24135204 1.10658429
H 6.60293994 -1.65298388 -0.31720647
H 5.91287293 -4.83601353 2.44770162
H 7.43400975 -3.17610341 1.43960841
C 1.87193019 -5.22497947 -0.88076639
C 2.98259712 -5.96288951 -1.27843208
C 0.60039202 -5.77961532 -0.99516749
C 2.82060953 -7.24140380 -1.78169799
H 3.97408478 -5.53917417 -1.18799024
C 0.44526917 -7.05806538 -1.49767063
H -0.25944781 -5.20827031 -0.67505238
C 1.55368985 -7.78985912 -1.89341398
H 3.68646036 -7.80999877 -2.08826023
H -0.54263937 -7.48667940 -1.58096485
H 1.43107451 -8.78812424 -2.28685949
130
conf 120  E=-192.86350242 Eh  dE=0.897 kcal/mol  pop=0.28%
Ir -0.37224969 0.06929524 -0.08058305
C -1.67027089 0.95733119 1.38201792
C -1.10156945 1.71304440 2.43493635
C -3.07661744 1.03884242 1.39566547
C -1.81600027 2.39302849 3.39694399
H -0.02613838 1.77188430 2.51295829
C -3.83127026 1.74392999 2.34693117
C -3.20440407 2.41031467 3.37022930
H -1.28901243 2.92940413 4.17624791
H -3.77366830 2.94714281 4.11615620
C -1.89697210 -0.39566925 -1.51470609
C -3.28616903 -0.17799963 -1.41112997
C -1.55522804 -0.95528470 -2.76612959
C -4.20728932 -0.35768288 -2.45380776
C -2.44097238 -1.16613345 -3.80268432
H -0.52781051 -1.23714763 -2.94446856
C -3.78296153 -0.83396789 -3.67099136
H -2.08403860 -1.58295589 -4.73598568
H -4.47576073 -0.95939776 -4.49144680
C -0.67309635 -1.89347523 0.56133674
C -1.94407610 -2.27626844 1.02807640
C 0.24560421 -2.95982275 0.56663247
C -2.27889844 -3.54454178 1.44500107
H -2.71435654 -1.51253334 1.07515889
C -0.06328303 -4.26444543 0.97504572
C -1.33106036 -4.56278592 1.41631275
H -3.28245876 -3.75407478 1.79374130
H -1.58435360 -5.56509313 1.73190711
C 1.14474623 -0.45048101 -1.43473107
C 2.12605784 -1.44468822 -1.23577125
C 1.36223680 0.28491890 -2.62471512
C 3.22702424 -1.65465633 -2.07816374
C 2.41150951 0.06531581 -3.49192920
H 0.63475760 1.03469879 -2.90698536
C 3.38070328 -0.89071558 -3.20989102
H 2.48447445 0.64113712 -4.40560145
H 4.21833179 -1.04727562 -3.87487532
C -0.29877648 2.04742443 -0.78792336
C -1.44890723 2.65994067 -1.32815862
C 0.82477756 2.89133674 -0.82846955
C -1.47753674 3.92424581 -1.87348790
H -2.37474963 2.09736854 -1.33497575
C 0.82376825 4.18932527 -1.36035615
C -0.32879064 4.70775898 -1.89975857
H -2.39968246 4.31461195 -2.28621925
H -0.34334623 5.70206964 -2.32356875
C 1.19710840 0.28106225 1.28920824
C 2.30273108 1.14815192 1.17483111
C 1.21895770 -0.46758110 2.49005538
C 3.33129341 1.24805935 2.12218958
C 2.19822745 -0.35549264 3.45394495
H 0.38667629 -1.12577407 2.70223696
C 3.28665629 0.48816988 3.26678900
H 2.12118679 -0.92742246 4.36957984
H 4.06412510 0.56668680 4.01358286
H -4.91216454 1.78633387 2.26112001
H -5.25236514 -0.10751190 -2.30104344
H 0.69250013 -5.04166177 0.93161980
H 3.94339135 -2.43741629 -1.84939488
H 1.72739333 4.78940048 -1.33568092
H 4.14636910 1.94791007 1.96733194
P -4.08551943 0.28393258 0.12487365
P 2.38672516 2.38780220 -0.11762942
P 1.92816569 -2.70260964 0.02425842
C -5.39233391 1.50142555 -0.23789344
C -5.02601644 2.83835165 -0.37048079
C -6.72558952 1.13586570 -0.38531749
C -5.98305826 3.79538771 -0.64747928
H -3.99182425 3.12188613 -0.23574477
C -7.68014653 2.09948173 -0.66161814
H -7.01889851 0.10025808 -0.27409638
C -7.31169968 3.42782654 -0.79311996
H -5.69383680 4.83167704 -0.74308953
H -8.71586806 1.81199956 -0.76981286
H -8.06041802 4.17727837 -1.00329492
C -5.03548454 -1.15674627 0.73642913
C -5.51669152 -1.16652633 2.04220158
C -5.27514800 -2.25035257 -0.08984253
C -6.25279109 -2.24287941 2.50287450
H -5.30152560 -0.33994499 2.70305493
C -6.01519087 -3.32210172 0.37557339
H -4.87127092 -2.26541530 -1.09169057
C -6.51210894 -3.31815225 1.66857128
H -6.62310960 -2.24350543 3.51771108
H -6.19994408 -4.16588865 -0.27317958
H -7.09052789 -4.15607063 2.02917432
C 2.97181369 3.89060101 0.72485619
C 2.11147149 4.41772129 1.68530067
C 4.17860183 4.52094473 0.45374174
C 2.45636049 5.56839840 2.36558126
H 1.17176377 3.91658391 1.87855168
C 4.51864067 5.67551037 1.13928396
H 4.84754908 4.11454285 -0.29299092
C 3.66101557 6.19940572 2.09140301
H 1.78694531 5.97878526 3.10695487
H 5.45582298 6.16859169 0.92546001
H 3.92973014 7.10229142 2.61955776
C 3.68915604 2.06230263 -1.34364790
C 4.75677472 1.23869836 -1.01092047
C 3.66088035 2.69505800 -2.58163865
C 5.79216579 1.05166396 -1.90894045
H 4.77047134 0.75435201 -0.04550120
C 4.70324691 2.51243508 -3.47106519
H 2.81724760 3.31619151 -2.84571508
C 5.76949027 1.69286744 -3.13604617
H 6.62037243 0.40756070 -1.65041163
H 4.68404969 3.00711687 -4.43125305
H 6.58116943 1.55082235 -3.83441476
C 3.11351597 -2.59659899 1.39760400
C 4.30281064 -1.89833636 1.23976437
C 2.86526919 -3.29378403 2.57553102
C 5.23818976 -1.89160376 2.25898620
H 4.48373380 -1.36766998 0.31652331
C 3.80704130 -3.28962370 3.58676775
H 1.93035613 -3.82269422 2.69601014
C 4.99343606 -2.58976741 3.42963980
H 6.16185102 -1.34351386 2.14036156
H 3.61640345 -3.83093691 4.50213735
H 5.72601957 -2.58602229 4.22334408
C 2.41212344 -4.25184566 -0.79778018
C 1.64761289 -4.62263270 -1.90160878
C 3.48073017 -5.04354917 -0.39799968
C 1.94998941 -5.77678281 -2.59650269
H 0.81817322 -3.99340160 -2.19754460
C 3.77892773 -6.20029762 -1.09879420
H 4.07736071 -4.75921636 0.45803602
C 3.01733999 -6.56703722 -2.19510555
H 1.35670377 -6.06408369 -3.45180249
H 4.60988495 -6.81604921 -0.78625798
H 3.25536769 -7.46965474 -2.73825456
130
conf 121  E=-192.86347316 Eh  dE=0.916 kcal/mol  pop=0.27%
Ir -0.39978231 0.06492295 -0.10255921
C -1.64751279 0.87530217 1.44919245
C -1.04095055 1.55719664 2.53144177
C -3.05092720 0.98737213 1.49790655
C -1.71989924 2.20369119 3.54096330
H 0.03669764 1.58193005 2.59476552
C -3.77018662 1.65855625 2.50039744
C -3.10779048 2.25786444 3.54242191
H -1.16499111 2.68432525 4.33715625
H -3.64905578 2.76988343 4.32572254
C -1.97095258 -0.28200024 -1.52184921
C -3.35652398 -0.07602371 -1.35911860
C -1.66969003 -0.76010604 -2.81664719
C -4.31169926 -0.19722904 -2.37940107
C -2.59037827 -0.91813544 -3.83199833
H -0.64685916 -1.01983004 -3.04760116
C -3.92852502 -0.60360996 -3.63495910
H -2.26450038 -1.27778854 -4.79980749
H -4.64932782 -0.68655012 -4.43651714
C -0.71104417 -1.93963437 0.38487689
C -1.97571718 -2.34555665 0.84876870
C 0.18993500 -3.01477472 0.26723171
C -2.32315836 -3.64323380 1.14831403
H -2.72876782 -1.57654940 0.99193090
C -0.13194140 -4.34789283 0.55583901
C -1.39502655 -4.66853885 0.99495599
H -3.32129591 -3.87055305 1.50117820
H -1.65905647 -5.69307054 1.21631515
C 1.07916814 -0.36358374 -1.52909682
C 2.06169769 -1.37087301 -1.42362169
C 1.27662540 0.45855940 -2.66466159
C 3.14960767 -1.51510440 -2.29626431
C 2.31281593 0.30724890 -3.56150661
H 0.54443990 1.22601434 -2.87886515
C 3.28685662 -0.66590854 -3.36760490
H 2.37127254 0.95067999 -4.43004394
H 4.11489610 -0.76936223 -4.05460456
C -0.30609902 2.08651161 -0.66769655
C -1.45064516 2.74992676 -1.15724430
C 0.83076783 2.91364769 -0.66442875
C -1.46286680 4.04705913 -1.62039880
H -2.38468926 2.20230531 -1.19285893
C 0.84675451 4.24254206 -1.11269690
C -0.30167539 4.81231745 -1.60752208
H -2.38162727 4.47751311 -1.99935708
H -0.30302920 5.83153441 -1.96771373
C 1.19423187 0.14757879 1.25184969
C 2.30519130 1.01338643 1.19728998
C 1.21788995 -0.69184097 2.39099797
C 3.33858895 1.03505891 2.14432042
C 2.20315158 -0.66046220 3.35475515
H 0.38328612 -1.36034904 2.55636486
C 3.29497632 0.18980734 3.22760050
H 2.12752058 -1.30154786 4.22351919
H 4.07603581 0.20743485 3.97458686
H -4.85177271 1.72542069 2.44064004
H -5.35055483 0.04587955 -2.17940221
H 0.61003561 -5.12802471 0.42168153
H 3.86871200 -2.31289764 -2.13937905
H 1.76034575 4.82543413 -1.05831156
H 4.15665821 1.74069345 2.04010294
P -4.10469205 0.30723317 0.22349674
P 2.39153804 2.34306580 -0.00221171
P 1.86903700 -2.72781443 -0.27031825
C -5.41507118 1.54623867 -0.04085986
C -5.04268659 2.88410937 -0.14256252
C -6.75657552 1.19573718 -0.14356883
C -6.00233791 3.85710957 -0.34523704
H -4.00106688 3.15476568 -0.04193343
C -7.71353553 2.17519463 -0.34582561
H -7.05363394 0.15913512 -0.05484792
C -7.33914158 3.50455668 -0.44707515
H -5.70884810 4.89417420 -0.41739270
H -8.75534070 1.89895000 -0.41934215
H -8.08929479 4.26640873 -0.59964088
C -5.04240477 -1.15157129 0.80984222
C -5.38907923 -2.17476840 -0.06690289
C -5.40494631 -1.24492050 2.15023647
C -6.11748418 -3.25933553 0.38750762
H -5.07584144 -2.12711817 -1.09977789
C -6.12956751 -2.33379713 2.59902231
H -5.10352133 -0.47449516 2.84472692
C -6.49567277 -3.33831998 1.71778116
H -6.38552552 -4.04885330 -0.29943392
H -6.40635554 -2.40049896 3.64111291
H -7.06372005 -4.18680734 2.06996847
C 2.99942146 3.77558954 0.94012974
C 2.14884524 4.24547811 1.93836953
C 4.21439315 4.40654385 0.71006173
C 2.51188211 5.33986973 2.69743555
H 1.20232871 3.74551676 2.09873461
C 4.57246343 5.50476198 1.47448956
H 4.87572009 4.04449291 -0.06579810
C 3.72482828 5.97168414 2.46450134
H 1.85012690 5.70582138 3.46844143
H 5.51611418 5.99855010 1.29299399
H 4.00779717 6.83078953 3.05458496
C 3.68201964 2.08688618 -1.25691057
C 4.74129385 1.23044555 -0.98568475
C 3.65573976 2.80037528 -2.45014486
C 5.77073730 1.09172190 -1.89913135
H 4.75359644 0.68278175 -0.05464412
C 4.69293871 2.66644358 -3.35430891
H 2.81846857 3.44720991 -2.66864369
C 5.75106986 1.81447318 -3.08010260
H 6.59206498 0.42191841 -1.68822055
H 4.67585543 3.22502688 -4.27879869
H 6.55870800 1.71103809 -3.78984554
C 3.06044396 -2.74865021 1.10177206
C 4.26096650 -2.06018732 0.99529803
C 2.80364024 -3.53460363 2.22052390
C 5.19878984 -2.15052719 2.00839016
H 4.44881432 -1.46111633 0.11629971
C 3.74792354 -3.62742239 3.22498000
H 1.86042455 -4.05636977 2.30087437
C 4.94524135 -2.93634084 3.12010798
H 6.13139568 -1.61037873 1.93044955
H 3.55117067 -4.23792162 4.09437002
H 5.67964900 -3.00875149 3.90880774
C 2.33991467 -4.20419512 -1.22354184
C 1.57609287 -4.47035342 -2.35766157
C 3.40148829 -5.03636894 -0.89281025
C 1.87277991 -5.56043654 -3.15147804
H 0.75232108 -3.81118458 -2.59919002
C 3.69403046 -6.12833168 -1.69279123
H 3.99753930 -4.83356465 -0.01349137
C 2.93363874 -6.39064134 -2.81952718
H 1.28039028 -5.76631215 -4.03060964
H 4.51984792 -6.77516035 -1.43404455
H 3.16751116 -7.24273075 -3.44049459
130
conf 122  E=-192.86346794 Eh  dE=0.919 kcal/mol  pop=0.27%
Ir -0.35339013 0.00900461 0.01600062
C -1.80846159 0.53913005 1.48998204
C -1.39102176 1.12662751 2.70717281
C -3.20777548 0.39075243 1.44828678
C -2.21930030 1.40243923 3.77382548
H -0.34741041 1.37570968 2.83305607
C -4.07612909 0.65718758 2.51624395
C -3.58112700 1.13677118 3.70343551
H -1.80402498 1.82838873 4.67844987
H -4.23431281 1.32669653 4.54345276
C -1.73606921 -0.45958580 -1.54670140
C -3.13761129 -0.32068515 -1.54402608
C -1.27171007 -0.93812316 -2.79386515
C -3.96567637 -0.49385266 -2.66239639
C -2.06034127 -1.12563594 -3.90929902
H -0.22264865 -1.17089054 -2.90265450
C -3.42496550 -0.86846738 -3.86751396
H -1.61014226 -1.47165763 -4.83113547
H -4.04518237 -0.98290995 -4.74538683
C -0.50599735 -2.02472668 0.50251370
C -1.74499584 -2.56566162 0.89922637
C 0.52124383 -2.98614414 0.50448848
C -1.94598182 -3.87599517 1.27199382
H -2.60649313 -1.90683169 0.92788566
C 0.34800932 -4.33010486 0.86460258
C -0.88940088 -4.78034937 1.25914549
H -2.93217645 -4.20682184 1.57334776
H -1.03695114 -5.81207429 1.54590016
C 1.24856532 -0.25665296 -1.31258934
C 2.28470665 -1.20594726 -1.18868725
C 1.42478796 0.58698413 -2.43570504
C 3.38811720 -1.29289123 -2.04937108
C 2.47716751 0.48962470 -3.32143024
H 0.65820301 1.31895585 -2.65466440
C 3.49240112 -0.43830057 -3.12073197
H 2.51614736 1.14049186 -4.18538049
H 4.32893782 -0.50411671 -3.80206495
C -0.44109105 2.04608148 -0.47600310
C -1.64435024 2.61791407 -0.93772063
C 0.60759417 2.98157713 -0.41427254
C -1.78853036 3.93330036 -1.31951075
H -2.52146207 1.98404787 -1.01102728
C 0.49043319 4.32881360 -0.78532918
C -0.71011136 4.80911677 -1.25140360
H -2.74773806 4.29082219 -1.67304664
H -0.81397559 5.84325164 -1.54855424
C 1.15258370 0.23967906 1.45353457
C 2.21092573 1.17084597 1.40721980
C 1.21631256 -0.59335717 2.59564462
C 3.24172769 1.24547584 2.35449220
C 2.19418508 -0.50636456 3.56362603
H 0.41812113 -1.30585429 2.75829429
C 3.24167730 0.39847260 3.43698443
H 2.14853899 -1.14718835 4.43469494
H 4.02161842 0.45440476 4.18324966
H -5.14095705 0.49374663 2.40133731
H -5.03358661 -0.33148477 -2.57367203
H 1.18591263 -5.01798805 0.82201702
H 4.14451012 -2.05434365 -1.88704200
H 1.34142283 4.99558977 -0.69390064
H 4.02367502 1.99082904 2.24908604
P -4.09092366 -0.04115593 -0.05208136
P 2.21209402 2.52039969 0.22683241
P 2.17628801 -2.55662299 -0.01556752
C -5.29486224 1.30641462 -0.29271763
C -4.95217054 2.58639101 0.13593371
C -6.52368127 1.09970063 -0.91280324
C -5.82600811 3.64044954 -0.05329799
H -4.00313481 2.74873010 0.62671173
C -7.39477874 2.15839258 -1.09811513
H -6.81211032 0.10814853 -1.23534507
C -7.04840241 3.42944604 -0.67049522
H -5.55320329 4.62897218 0.28593753
H -8.34974631 1.98874902 -1.57399620
H -7.73309204 4.25240795 -0.81335773
C -5.13717299 -1.52582293 0.13547526
C -4.72754741 -2.71501313 -0.46234845
C -6.31749096 -1.50515251 0.87290103
C -5.48613888 -3.86204623 -0.32337114
H -3.81325108 -2.73583884 -1.03798264
C -7.07284325 -2.65600580 1.00879108
H -6.66291787 -0.58610500 1.32575312
C -6.65932911 -3.83617207 0.41294082
H -5.15985261 -4.77824132 -0.79329137
H -7.98957513 -2.63043871 1.57971167
H -7.25278123 -4.73222017 0.51984154
C 2.72962132 3.97038411 1.19842882
C 1.88026082 4.33896918 2.23914514
C 3.88368663 4.70289167 0.95443036
C 2.18273796 5.43282483 3.02530217
H 0.98317201 3.75869075 2.41259994
C 4.18163354 5.79971540 1.74601209
H 4.54628086 4.42041701 0.14754483
C 3.33459736 6.16545500 2.77807656
H 1.52193119 5.71947809 3.82989745
H 5.07817850 6.37095395 1.55314172
H 3.57055819 7.02355347 3.38989989
C 3.51300825 2.40712651 -1.03781977
C 4.63123309 1.61661952 -0.80961696
C 3.43296800 3.18249309 -2.18983865
C 5.66443034 1.59951225 -1.72954661
H 4.68322024 1.02416872 0.09208095
C 4.47244397 3.16859134 -3.10051361
H 2.55163907 3.78060193 -2.37192675
C 5.58859806 2.37894224 -2.87147014
H 6.53251847 0.98034972 -1.55431369
H 4.41298802 3.77254896 -3.99433212
H 6.39794454 2.36920496 -3.58669788
C 3.36791677 -2.46262435 1.35403762
C 4.52243985 -1.70368600 1.21801733
C 3.16517080 -3.22001606 2.50296784
C 5.46890007 -1.69940257 2.22712822
H 4.67129363 -1.12542120 0.31785049
C 4.11871138 -3.21944791 3.50329917
H 2.25564248 -3.79334948 2.61151729
C 5.27057581 -2.46037251 3.36680392
H 6.36478163 -1.10413713 2.12383570
H 3.96334558 -3.80908456 4.39514734
H 6.01183236 -2.45954140 4.15244214
C 2.74438517 -4.01641077 -0.94203008
C 1.98691716 -4.35783806 -2.06006728
C 3.84479893 -4.78614833 -0.58930269
C 2.32716295 -5.46213299 -2.81556046
H 1.13069320 -3.74757332 -2.31720485
C 4.18073199 -5.89339178 -1.35057397
H 4.43527255 -4.52450018 0.27833916
C 3.42484203 -6.23235069 -2.45971338
H 1.73783010 -5.72776055 -3.68063212
H 5.03512586 -6.49391574 -1.07370841
H 3.69009307 -7.09855164 -3.04765842
130
conf 123  E=-192.86345978 Eh  dE=0.924 kcal/mol  pop=0.27%
Ir -0.38064103 -0.04997708 -0.01145430
C -1.56791189 0.75579250 1.58575924
C -0.95198740 1.30109100 2.73672755
C -2.97163359 0.81054441 1.68897461
C -1.62036524 1.71388910 3.86991551
H 0.12210346 1.40663523 2.75483599
C -3.68213333 1.22067091 2.82662209
C -3.00536862 1.64304992 3.94468333
H -1.05721813 2.09294959 4.71346704
H -3.53541043 1.93571429 4.84007301
C -2.00402779 -0.58813887 -1.29582336
C -3.38691345 -0.38098124 -1.11215005
C -1.74502359 -1.38125660 -2.43719539
C -4.38943333 -0.85978293 -1.96776539
C -2.70873786 -1.85728226 -3.30042478
H -0.72037674 -1.63601075 -2.66830680
C -4.05443670 -1.59538576 -3.07776049
H -2.41591334 -2.44740165 -4.15973944
H -4.81691264 -1.96815817 -3.74736985
C -0.66562248 -2.02093048 0.64753269
C -1.89686302 -2.41663829 1.20867505
C 0.25227872 -3.08415126 0.55642244
C -2.18583558 -3.69605397 1.62916566
H -2.66942483 -1.66439280 1.33266507
C -0.01676743 -4.39812086 0.96446726
C -1.24181217 -4.70989366 1.50442917
H -3.15413120 -3.92012750 2.05978506
H -1.46493108 -5.71879497 1.82211556
C 1.01148594 -0.56579635 -1.49144570
C 2.00981182 -1.55429779 -1.36874917
C 1.12569150 0.16528451 -2.69763531
C 3.04953570 -1.75248469 -2.28784859
C 2.11704420 -0.03686952 -3.63391517
H 0.36585222 0.90013308 -2.92892473
C 3.11838200 -0.97803428 -3.42073435
H 2.11895893 0.54060201 -4.54953972
H 3.91265538 -1.11839179 -4.14040203
C -0.32625980 1.91662135 -0.73364716
C -1.49016368 2.49708509 -1.27763910
C 0.78171772 2.77976963 -0.80506321
C -1.55386782 3.75642295 -1.83119167
H -2.39892316 1.90797192 -1.28694574
C 0.74598372 4.07513231 -1.34114969
C -0.42546644 4.56865822 -1.86408018
H -2.48782006 4.11878089 -2.24227083
H -0.46724632 5.56161769 -2.28920038
C 1.29603564 0.13309445 1.24103147
C 2.38269881 1.01652050 1.08419183
C 1.41484970 -0.66133608 2.40796901
C 3.47204857 1.09941142 1.96347835
C 2.45635813 -0.57022538 3.30654873
H 0.60722846 -1.33726012 2.65601525
C 3.51630073 0.29954628 3.08029224
H 2.44962572 -1.17862121 4.20159974
H 4.34038311 0.36555753 3.77653287
H -4.76594805 1.20232352 2.82398908
H -5.43343174 -0.66977227 -1.74293718
H 0.73463070 -5.17136153 0.84323454
H 3.78565680 -2.53129001 -2.11530915
H 1.63913602 4.69142042 -1.33495671
H 4.26411658 1.81859171 1.78001560
P -4.03859475 0.54791376 0.27659492
P 2.38140368 2.28301374 -0.18295680
P 1.89086766 -2.82559340 -0.11291972
C -4.62819924 2.20803334 -0.21079493
C -4.08200544 3.34373212 0.37912675
C -5.60419590 2.34707953 -1.19312313
C -4.52079573 4.59961172 0.00266757
H -3.30729727 3.23903975 1.12434779
C -6.03720188 3.60594867 -1.56748019
H -6.02684424 1.47084037 -1.66355791
C -5.49966786 4.73386199 -0.96812836
H -4.09193007 5.47628808 0.46544216
H -6.79613398 3.70818672 -2.32949635
H -5.84023930 5.71593343 -1.26192589
C -5.55671514 -0.28813181 0.82953120
C -5.57335328 -1.67886960 0.88501406
C -6.66703111 0.43076215 1.26177418
C -6.68889407 -2.33961988 1.36419008
H -4.71398245 -2.23484763 0.53747837
C -7.77985192 -0.23636772 1.74214868
H -6.66370905 1.51182220 1.21580233
C -7.79226766 -1.62028688 1.79562722
H -6.69939235 -3.41902993 1.40103090
H -8.63912929 0.32674299 2.07649596
H -8.66268124 -2.13752155 2.17136631
C 3.01440197 3.77395363 0.64182645
C 2.23237856 4.25857786 1.68780028
C 4.17853510 4.43702144 0.27871508
C 2.61410849 5.39971396 2.36434741
H 1.32534627 3.72951008 1.95111002
C 4.55558466 5.58201484 0.96101284
H 4.78460658 4.06215453 -0.53527434
C 3.77686164 6.06308128 1.99979182
H 2.00686838 5.77691124 3.17382888
H 5.45961216 6.10116007 0.67757190
H 4.07467058 6.95797999 2.52589973
C 3.58826105 1.96654312 -1.50504180
C 4.69184370 1.16150613 -1.25157310
C 3.44571823 2.57596537 -2.74668699
C 5.64950023 0.97187074 -2.23133788
H 4.79501651 0.69277379 -0.28365699
C 4.41230628 2.39247784 -3.71801629
H 2.57371990 3.18105682 -2.94867088
C 5.51434852 1.59236064 -3.46206873
H 6.50501064 0.34192441 -2.03418661
H 4.30451270 2.87079528 -4.68063901
H 6.26590854 1.44872938 -4.22443515
C 3.19151108 -2.75077439 1.15430501
C 4.35132902 -2.02592751 0.91720601
C 3.06113470 -3.49620510 2.32174520
C 5.37495257 -2.04040051 1.84768232
H 4.43879771 -1.45597566 0.00386691
C 4.08984167 -3.51144309 3.24419215
H 2.14926315 -4.04677445 2.50515795
C 5.24699207 -2.78508099 3.00813093
H 6.27629468 -1.47227721 1.66738406
H 3.99091896 -4.08909021 4.15184176
H 6.04783964 -2.79735753 3.73282846
C 2.29712340 -4.36238384 -0.99974847
C 1.43863965 -4.71611755 -2.03813368
C 3.40193317 -5.15455500 -0.71552037
C 1.68329386 -5.85367644 -2.78154022
H 0.58185070 -4.08802064 -2.24508202
C 3.64188683 -6.29463100 -1.46419737
H 4.07263732 -4.88373307 0.08851489
C 2.78657914 -6.64442621 -2.49495913
H 1.01687201 -6.12755817 -3.58595060
H 4.50119126 -6.91030868 -1.24075890
H 2.97954878 -7.53390796 -3.07631800
130
conf 124  E=-192.86341503 Eh  dE=0.952 kcal/mol  pop=0.25%
Ir 0.13551394 -0.31789669 -0.07147502
C -0.79359502 0.89724083 1.35800803
C -0.11152515 1.27953898 2.53758063
C -2.11047225 1.39825352 1.31077070
C -0.66979861 2.04167975 3.54169932
H 0.89014267 0.90332588 2.69886423
C -2.68511407 2.20737762 2.30082876
C -1.96149298 2.53988424 3.42142406
H -0.09959825 2.25447109 4.43669090
H -2.39708221 3.14972084 4.20031181
C -1.62797276 -1.25513988 -0.72836720
C -2.92815539 -0.72054742 -0.71047245
C -1.58680833 -2.54399302 -1.30003889
C -4.06170410 -1.37234941 -1.21781626
C -2.67806591 -3.20248784 -1.82225098
H -0.63122515 -3.05157368 -1.35250996
C -3.93822415 -2.61513828 -1.79105310
H -2.55763878 -4.18514303 -2.26154914
H -4.80033213 -3.12556186 -2.19701205
C 0.09112713 -1.91217967 1.36927465
C -0.80968571 -1.82892726 2.45793148
C 0.73830536 -3.16298165 1.33656030
C -0.99743063 -2.80962518 3.40725925
H -1.40281728 -0.93449199 2.57697040
C 0.55010050 -4.19066749 2.27506901
C -0.30736056 -4.01259564 3.33190323
H -1.69892143 -2.64536442 4.21579926
H -0.45385859 -4.79115432 4.06750413
C 1.26159136 -1.36842050 -1.56453226
C 1.79604821 -2.67160290 -1.49749389
C 1.51831951 -0.77032704 -2.81841499
C 2.38821237 -3.35307666 -2.57124850
C 2.12197295 -1.40456489 -3.88469090
H 1.21967943 0.25618510 -2.97335471
C 2.53615762 -2.72634344 -3.78524701
H 2.26210457 -0.87093818 -4.81625444
H 2.97355556 -3.24320872 -4.62811228
C -0.25073870 1.27302001 -1.38510888
C -1.04124638 1.10198781 -2.54702484
C 0.10058075 2.62338732 -1.17398740
C -1.43432979 2.13069171 -3.37679754
H -1.31683664 0.09716376 -2.83928808
C -0.32581938 3.69067908 -1.97700786
C -1.10756497 3.44929931 -3.08092384
H -2.00316475 1.91304681 -4.27166458
H -1.43700899 4.26020013 -3.71514337
C 1.99961913 0.42271704 0.50365875
C 2.44477149 1.75802215 0.50734444
C 2.99919889 -0.47845493 0.91383747
C 3.74118807 2.15570724 0.86161847
C 4.27802054 -0.12191288 1.27685040
H 2.73891669 -1.53153741 0.95885449
C 4.66601416 1.21402580 1.24739547
H 4.98711863 -0.88080606 1.58306939
H 5.67035003 1.50588731 1.52034550
H -3.71152045 2.54520238 2.19807118
H -5.03767639 -0.90354046 -1.14775933
H 1.06370431 -5.13885890 2.15321129
H 2.71545922 -4.38037024 -2.44512647
H -0.01734699 4.70420306 -1.74052340
H 4.01953843 3.20351490 0.81989154
P -3.26907097 0.86100437 0.05260001
P 1.33694760 3.07903489 0.03968430
P 1.86256320 -3.61878965 0.02202505
C -3.70825050 2.17571390 -1.12390860
C -3.53377474 3.50576700 -0.76427536
C -4.28911491 1.85889369 -2.34707593
C -3.94213312 4.51326973 -1.61966828
H -3.08338649 3.74140086 0.18887222
C -4.70494219 2.86984654 -3.19327992
H -4.40116846 0.82343494 -2.63423733
C -4.53394221 4.19656781 -2.83079206
H -3.80222234 5.54759637 -1.33995328
H -5.16097051 2.62409043 -4.14127990
H -4.85855919 4.98374593 -3.49537699
C -4.82382594 0.56515397 0.95011683
C -4.78805443 -0.45622215 1.89674026
C -6.00351008 1.26137509 0.72509138
C -5.92536610 -0.77841820 2.60975537
H -3.86155390 -0.99349658 2.05303561
C -7.14177509 0.93210128 1.44245686
H -6.03444767 2.05350712 -0.01099981
C -7.10483959 -0.08484779 2.38104681
H -5.89760526 -1.57294411 3.34061874
H -8.06140156 1.47011415 1.26367257
H -7.99685506 -0.34005494 2.93378886
C 0.70447508 4.01393512 1.46416027
C -0.50856717 4.68313065 1.37789654
C 1.48601986 4.13184770 2.60901902
C -0.94246891 5.46195544 2.43580694
H -1.10061692 4.58783567 0.47948355
C 1.05066023 4.91743424 3.65908327
H 2.42270879 3.59635677 2.67346000
C -0.16258554 5.58293265 3.57369549
H -1.88920460 5.97894425 2.37268217
H 1.65632370 5.01083835 4.54887363
H -0.50110615 6.19358194 4.39781270
C 2.37798654 4.30781867 -0.80709086
C 3.03225851 3.86870247 -1.95577049
C 2.53259953 5.62072935 -0.38137406
C 3.83481778 4.73648862 -2.66945692
H 2.90074679 2.84182771 -2.27152001
C 3.33931329 6.48625752 -1.10105336
H 2.02631049 5.96643677 0.50956142
C 3.98878559 6.04739491 -2.24217994
H 4.34224820 4.39539910 -3.55959921
H 3.45981319 7.50699062 -0.76803526
H 4.61593214 6.72726786 -2.79968450
C 3.60264463 -3.69950984 0.58538049
C 4.64388951 -3.36740835 -0.27573295
C 3.88995559 -4.08335558 1.89189805
C 5.95486010 -3.45068159 0.15726934
H 4.42522601 -3.03127404 -1.27889383
C 5.20265204 -4.16115645 2.31975062
H 3.08566487 -4.30331554 2.57837960
C 6.23805383 -3.85419796 1.45178596
H 6.75807744 -3.19352758 -0.51779887
H 5.41839860 -4.45877281 3.33557780
H 7.26272405 -3.91770870 1.78749645
C 1.47987126 -5.35998585 -0.35697868
C 0.14150646 -5.72885159 -0.46501785
C 2.47345667 -6.31592921 -0.53517166
C -0.19598091 -7.03830663 -0.74789396
H -0.62859897 -4.98739292 -0.30598045
C 2.12905122 -7.62668260 -0.81691056
H 3.51509316 -6.03769346 -0.44349993
C 0.79698204 -7.98957065 -0.92353456
H -1.23587751 -7.32009689 -0.82473935
H 2.90407464 -8.36778174 -0.94843847
H 0.53230097 -9.01455883 -1.13739542
130
conf 125  E=-192.86329412 Eh  dE=1.028 kcal/mol  pop=0.22%
Ir 0.21344685 -0.30227818 0.07471600
C -0.93528910 0.90993991 1.34524033
C -0.40319013 1.42434454 2.55257045
C -2.22778963 1.40802404 1.07863495
C -1.05697466 2.32340778 3.36801478
H 0.55490566 1.05405842 2.89248753
C -2.89457503 2.35390672 1.87022666
C -2.30353834 2.82884593 3.01606040
H -0.59897870 2.63980385 4.29639161
H -2.80705233 3.55320517 3.64058660
C -1.42614978 -1.36610595 -0.65336969
C -2.77658578 -0.97311328 -0.69047482
C -1.23181254 -2.67233810 -1.13933266
C -3.82525554 -1.79368914 -1.12823824
C -2.23602583 -3.50023238 -1.58678763
H -0.21364660 -3.04461688 -1.17527406
C -3.55826796 -3.06675563 -1.57392086
H -2.00043399 -4.49340369 -1.94768160
H -4.35665176 -3.71339597 -1.90988639
C 0.23281237 -1.89241560 1.52240678
C -0.56724458 -1.79807654 2.68425490
C 0.89486268 -3.13625428 1.45405870
C -0.65992312 -2.76855619 3.65985020
H -1.15512021 -0.90483394 2.83771402
C 0.84057603 -4.13113785 2.44267090
C 0.06460571 -3.94926925 3.56126258
H -1.29671486 -2.60448703 4.52012858
H 0.01891719 -4.70277700 4.33531987
C 1.70087672 -1.14652621 -1.22746423
C 2.44222727 -2.33438462 -1.05819701
C 2.26640340 -0.32990030 -2.23579701
C 3.61615447 -2.65849301 -1.75463161
C 3.40670601 -0.62929347 -2.94962327
H 1.78321476 0.60464219 -2.48072149
C 4.11172669 -1.80072927 -2.70573804
H 3.76407941 0.06275893 -3.70236550
H 5.01974704 -2.03220443 -3.24493463
C -0.12922920 1.18149057 -1.35874882
C -0.75488486 0.86875261 -2.58904323
C 0.20724613 2.54618025 -1.25689272
C -1.00576287 1.78789758 -3.58511703
H -1.00537117 -0.16408237 -2.79180517
C -0.06687081 3.50429259 -2.24305770
C -0.68667644 3.12946819 -3.41125289
H -1.45245421 1.46449880 -4.51646382
H -0.89421204 3.85500946 -4.18512797
C 1.94400823 0.57972542 0.86473198
C 2.25815781 1.94944536 0.90329554
C 2.93609557 -0.21831741 1.46843683
C 3.41012445 2.47988627 1.50159030
C 4.06871354 0.27267908 2.07795299
H 2.79819853 -1.29317216 1.45206531
C 4.31393256 1.64155988 2.10912602
H 4.78003645 -0.40584369 2.53230167
H 5.20085627 2.03628079 2.58454684
H -3.88794239 2.69104567 1.59153105
H -4.84699078 -1.42925594 -1.10423346
H 1.43067276 -5.03613567 2.33189423
H 4.14150368 -3.58121690 -1.53311856
H 0.23617229 4.53624380 -2.09724239
H 3.59677886 3.54839476 1.47322353
P -3.24942826 0.67681675 -0.19776456
P 1.22218232 3.15853787 0.08766697
P 1.89829469 -3.62506190 0.05537778
C -3.56703777 1.75212000 -1.62766591
C -3.43571555 3.12906804 -1.50859749
C -4.01678632 1.19542634 -2.82036715
C -3.74732697 3.94620810 -2.58041268
H -3.09179178 3.54739791 -0.57397425
C -4.33468857 2.01767136 -3.88455998
H -4.10135080 0.12163044 -2.90985130
C -4.20036049 3.39227188 -3.76607311
H -3.63979547 5.01767655 -2.49135097
H -4.68507228 1.58711190 -4.81141378
H -4.44564034 4.03147719 -4.60146786
C -4.88880199 0.51532850 0.57124923
C -4.95566731 -0.29767923 1.70048989
C -6.02931995 1.16130756 0.11277218
C -6.15529216 -0.46117976 2.36411858
H -4.05614745 -0.79425261 2.04086337
C -7.22967597 0.99301661 0.78275803
H -5.97993461 1.79262147 -0.76411585
C -7.29381362 0.18587946 1.90578030
H -6.20742503 -1.09106774 3.23974110
H -8.11690149 1.49575323 0.42593063
H -8.23213083 0.06031665 2.42553107
C 0.31343343 4.25993066 1.21341661
C -0.85736228 4.86906835 0.78085245
C 0.82341823 4.55473157 2.47313547
C -1.51097699 5.77256750 1.59929563
H -1.24432389 4.63363397 -0.19972457
C 0.17097079 5.46534681 3.28320539
H 1.72133650 4.06127544 2.81583460
C -0.99415084 6.07650495 2.84742844
H -2.42315879 6.24365243 1.26197019
H 0.56925428 5.69849994 4.25995711
H -1.50153021 6.78695582 3.48346829
C 2.41710421 4.27119599 -0.71456621
C 3.31393168 3.66225774 -1.58975402
C 2.47519433 5.64204780 -0.50377604
C 4.26299691 4.42106786 -2.24481134
H 3.25675961 2.59140066 -1.73697028
C 3.43019808 6.39769629 -1.16392847
H 1.78017408 6.11697978 0.17578657
C 4.32221984 5.79068310 -2.03121030
H 4.96052990 3.94835971 -2.92024990
H 3.47772631 7.46418176 -0.99771752
H 5.06649550 6.38456303 -2.54090044
C 3.37407205 -4.47922380 0.70239932
C 4.06163232 -3.91545020 1.77270383
C 3.85024655 -5.65193471 0.12460206
C 5.21268560 -4.51185770 2.25180360
H 3.68317406 -3.01437574 2.23352390
C 5.00345888 -6.24489579 0.60733287
H 3.31909665 -6.10258446 -0.70286253
C 5.68799956 -5.67524951 1.66782079
H 5.74172814 -4.06898459 3.08277277
H 5.36866160 -7.15400915 0.15199093
H 6.58924004 -6.13929736 2.04030303
C 1.08534291 -4.95048615 -0.91156527
C 0.18017599 -5.82028229 -0.31375420
C 1.38279104 -5.09043432 -2.26464619
C -0.40034795 -6.83240132 -1.05721638
H -0.08502946 -5.69151768 0.72516316
C 0.79717544 -6.10250536 -3.00250590
H 2.06108341 -4.39431724 -2.73852021
C -0.08924862 -6.98008430 -2.39905812
H -1.10408683 -7.50466088 -0.58830453
H 1.03015788 -6.20414502 -4.05248383
H -0.54601554 -7.77001198 -2.97709968
130
conf 126  E=-192.86327958 Eh  dE=1.037 kcal/mol  pop=0.22%
Ir -0.36129273 0.15770047 0.04224980
C -1.75948711 1.00511052 1.42173653
C -1.27355247 1.73352786 2.53174177
C -3.16415882 1.08742091 1.32305987
C -2.06434290 2.40450352 3.44004286
H -0.20618051 1.77090546 2.69864634
C -3.99274434 1.76947104 2.22562949
C -3.44606248 2.42703487 3.30003019
H -1.60482124 2.92576655 4.27046650
H -4.07302356 2.95408751 4.00564907
C -1.78557363 -0.37657586 -1.47723956
C -3.17829133 -0.16531836 -1.48054595
C -1.36718344 -1.02003125 -2.66590417
C -4.03382962 -0.43309136 -2.55953301
C -2.18148612 -1.29772927 -3.74358187
H -0.33568955 -1.32221702 -2.76225773
C -3.53136708 -0.97219413 -3.71845833
H -1.76134019 -1.77167833 -4.62180575
H -4.17116386 -1.16016296 -4.56924073
C -0.65449996 -1.78844125 0.76519081
C -1.85761925 -2.12033680 1.42134157
C 0.25365833 -2.86206929 0.74555785
C -2.12896164 -3.34483068 1.99044319
H -2.61815186 -1.35497160 1.51249250
C 0.00041179 -4.12721935 1.29512934
C -1.19557789 -4.37365042 1.92608202
H -3.07475874 -3.50951449 2.49120923
H -1.40295614 -5.34090395 2.36193244
C 1.15554685 -0.33760270 -1.32767488
C 2.03358815 -1.43810077 -1.27049456
C 1.35612782 0.44682356 -2.49044993
C 3.00690423 -1.72977909 -2.23712959
C 2.28508740 0.16318851 -3.46864097
H 0.69786243 1.28713084 -2.66619719
C 3.14244546 -0.92294613 -3.34145100
H 2.34542318 0.78796906 -4.35025512
H 3.87729111 -1.14434087 -4.10249457
C -0.27187064 2.15377287 -0.58869248
C -1.42350884 2.80403756 -1.07660112
C 0.85064075 3.00218412 -0.54334761
C -1.46295647 4.12270278 -1.47275286
H -2.33965788 2.22809179 -1.16140111
C 0.83781648 4.35012084 -0.92796366
C -0.32383989 4.91723167 -1.39555181
H -2.38518686 4.54995169 -1.84718464
H -0.34992565 5.95567301 -1.69470980
C 1.18691807 0.35034127 1.44102376
C 2.36380385 1.10499514 1.25941658
C 1.21214373 -0.40327678 2.63848456
C 3.47625576 1.06106464 2.11152547
C 2.27934008 -0.43440538 3.51000364
H 0.32689812 -0.95970009 2.91661013
C 3.44619198 0.27101412 3.23500610
H 2.21199162 -1.01139065 4.42351055
H 4.29504900 0.22417991 3.90269542
H -5.06526525 1.79752918 2.06526582
H -5.09217928 -0.21308515 -2.47898745
H 0.74412566 -4.91349410 1.21578461
H 3.63031670 -2.61201933 -2.13072853
H 1.73865403 4.94930220 -0.84552581
H 4.35063310 1.66655309 1.89472953
P -4.07380161 0.29170555 -0.00086085
P 2.43647719 2.39703142 0.02188570
P 1.86383430 -2.70126234 -0.01239779
C -5.44961413 1.38610970 -0.46704639
C -5.20723057 2.75180564 -0.58403610
C -6.70700355 0.88077751 -0.78321226
C -6.21316163 3.59980500 -1.00802630
H -4.23192811 3.14150969 -0.32809054
C -7.70928523 1.73447073 -1.20826717
H -6.90324711 -0.17929456 -0.69158327
C -7.46416093 3.09284128 -1.32284150
H -6.02235576 4.65938078 -1.09425609
H -8.68366638 1.33685927 -1.45249506
H -8.24884220 3.75576524 -1.65621113
C -4.91797085 -1.22831163 0.55962426
C -4.64565225 -2.44750676 -0.05253433
C -5.81582486 -1.17759855 1.62185772
C -5.27899227 -3.59708307 0.38237607
H -3.92994339 -2.49218472 -0.86008508
C -6.44459033 -2.33095503 2.05366058
H -6.02284562 -0.23538150 2.10895672
C -6.18046181 -3.54141400 1.43258572
H -5.06210080 -4.54045589 -0.09690482
H -7.14233243 -2.28623059 2.87726641
H -6.67310239 -4.44097867 1.77156940
C 3.20643824 3.79578087 0.89504949
C 2.50036850 4.30180055 1.98401023
C 4.44071350 4.33679101 0.55914582
C 3.02489532 5.34086841 2.72678316
H 1.53952985 3.86914379 2.23098214
C 4.96142154 5.37928075 1.30741043
H 4.99354331 3.94607770 -0.28436150
C 4.25761120 5.88029999 2.38912966
H 2.47677109 5.73249239 3.57082975
H 5.92139194 5.79943696 1.04412950
H 4.66983047 6.69167520 2.97062104
C 3.61451424 2.07328271 -1.32364628
C 4.59744699 1.10582980 -1.16691695
C 3.58071879 2.85400766 -2.47467597
C 5.53908186 0.91375922 -2.16205638
H 4.61238027 0.51124619 -0.26525846
C 4.52790855 2.66121497 -3.46204452
H 2.80360753 3.59569669 -2.59414438
C 5.50718880 1.69207422 -3.30694367
H 6.30184242 0.15730208 -2.04478186
H 4.50321758 3.26507271 -4.35759407
H 6.24356622 1.54149648 -4.08269252
C 3.21265148 -2.65547377 1.20552888
C 4.44412137 -2.12159384 0.84508411
C 3.03879421 -3.20170244 2.47199677
C 5.49602174 -2.13982422 1.74258983
H 4.57098555 -1.69938794 -0.14124309
C 4.09790337 -3.22847023 3.36070332
H 2.07348975 -3.59401016 2.75733878
C 5.32601747 -2.69948752 2.99803980
H 6.45152928 -1.72044289 1.46180799
H 3.96467610 -3.65878560 4.34246054
H 6.15003735 -2.71994199 3.69605485
C 2.09903525 -4.27864011 -0.88339506
C 1.14908027 -4.57115160 -1.85940385
C 3.11854992 -5.18057902 -0.61178375
C 1.22060250 -5.75967759 -2.55794429
H 0.35876512 -3.85653852 -2.05095197
C 3.18423051 -6.37163995 -1.31590895
H 3.85371818 -4.95394293 0.14893708
C 2.23889383 -6.66168046 -2.28505193
H 0.48298134 -5.98867929 -3.31280301
H 3.97482113 -7.07653424 -1.10350426
H 2.29313048 -7.59365429 -2.82801283
130
conf 127  E=-192.86319734 Eh  dE=1.089 kcal/mol  pop=0.20%
Ir 0.22948773 -0.33738456 0.10158712
C -0.79990529 0.93337416 1.41866801
C -0.16774003 1.47516825 2.56423791
C -2.10061233 1.44823145 1.23609442
C -0.74125170 2.41153730 3.39811344
H 0.80807070 1.09865301 2.84106373
C -2.68913633 2.42896376 2.04706095
C -2.00372798 2.92767830 3.12846671
H -0.20633455 2.74933420 4.27646600
H -2.44624469 3.67902868 3.76713325
C -1.48146772 -1.38703509 -0.46766340
C -2.82343191 -0.96676702 -0.41822848
C -1.34914902 -2.71151532 -0.92342127
C -3.91678777 -1.77777997 -0.75190715
C -2.39911613 -3.53185677 -1.26827288
H -0.34373398 -3.10659383 -1.02111104
C -3.70810887 -3.06968783 -1.17399776
H -2.20945125 -4.54110126 -1.61110004
H -4.54171583 -3.70869263 -1.42928640
C 0.33819261 -1.89058106 1.58492607
C -0.36029294 -1.74854651 2.80576379
C 0.96937517 -3.14943103 1.49694912
C -0.39173757 -2.69185655 3.81152213
H -0.91413006 -0.83807580 2.98283671
C 0.97880196 -4.11630343 2.51430120
C 0.29967352 -3.88981880 3.68649794
H -0.95246791 -2.49234234 4.71607055
H 0.30286431 -4.62232321 4.48179035
C 1.59883895 -1.24179006 -1.28670781
C 2.32337605 -2.44404146 -1.15051896
C 2.10245242 -0.45911175 -2.35327924
C 3.42743701 -2.81346328 -1.93358906
C 3.17259178 -0.80276439 -3.15067573
H 1.62618940 0.48441624 -2.57645190
C 3.86394067 -1.98900148 -2.94125384
H 3.48574199 -0.13465022 -3.94366954
H 4.71691680 -2.25657413 -3.54918874
C -0.19583604 1.11397229 -1.34262614
C -0.91982388 0.78168492 -2.51224576
C 0.17115237 2.47397393 -1.30414892
C -1.23074001 1.67969121 -3.51075190
H -1.20272653 -0.25102647 -2.66743323
C -0.16232921 3.41181637 -2.29143944
C -0.87699606 3.01907499 -3.39797833
H -1.75278628 1.34106663 -4.39640426
H -1.13170490 3.72844896 -4.17273517
C 2.03054128 0.53020899 0.73545226
C 2.37299401 1.89327553 0.70866089
C 3.04990762 -0.27094759 1.28755855
C 3.57702617 2.41611242 1.20197462
C 4.23388467 0.21340402 1.79649337
H 2.89062045 -1.34251200 1.31422055
C 4.50738291 1.57692002 1.76656954
H 4.96384002 -0.46630376 2.21836411
H 5.43494636 1.96621990 2.16225765
H -3.69587480 2.77520431 1.83539658
H -4.92684117 -1.39094190 -0.66568917
H 1.54249375 -5.03511161 2.38168721
H 3.94531277 -3.74575757 -1.73565087
H 0.16819017 4.44128461 -2.19663666
H 3.78232667 3.47879229 1.12534988
P -3.22919917 0.70477059 0.06095993
P 1.30119738 3.10067487 -0.06193449
P 1.84574822 -3.69578640 0.03509267
C -3.63585995 1.74874074 -1.36989342
C -3.47429615 3.12578623 -1.29846732
C -4.18311041 1.16975173 -2.51008737
C -3.85174990 3.92044034 -2.36601101
H -3.05567162 3.56212795 -0.40343151
C -4.56677479 1.96980455 -3.56955432
H -4.29187734 0.09574566 -2.56370407
C -4.40118552 3.34429417 -3.49918403
H -3.72029224 4.99169399 -2.31442933
H -4.99313773 1.52185348 -4.45542321
H -4.69762945 3.96597705 -4.33122196
C -4.80945593 0.59502309 0.95352912
C -4.80572783 -0.18472310 2.10786079
C -5.97111030 1.24629375 0.56006140
C -5.95636021 -0.31049335 2.86059273
H -3.89101497 -0.68600407 2.39692061
C -7.12203038 1.11594963 1.31929590
H -5.97677895 1.85210349 -0.33594460
C -7.11607323 0.34132243 2.46675422
H -5.95363703 -0.91490998 3.75548087
H -8.02575928 1.62251382 1.01284266
H -8.01615958 0.24479759 3.05572747
C 0.50594966 4.25454047 1.09649298
C 1.12621202 4.58686246 2.29615272
C -0.69268340 4.86201105 0.74597393
C 0.55499491 5.53298592 3.12640838
H 2.04570953 4.09458861 2.57804413
C -1.26489765 5.80088027 1.58541112
H -1.16585579 4.59696872 -0.18808687
C -0.63845684 6.14238374 2.77197729
H 1.03908945 5.79563873 4.05573572
H -2.19937940 6.26986235 1.31185661
H -1.08191318 6.88053139 3.42403559
C 2.45429824 4.15826786 -0.98986743
C 2.55269423 5.53435913 -0.83582583
C 3.27357362 3.49901172 -1.90364965
C 3.47190566 6.24484252 -1.59009021
H 1.91711507 6.04792679 -0.12675863
C 4.18735439 4.21305529 -2.65262547
H 3.18616499 2.42507399 -2.00653223
C 4.28812387 5.58770123 -2.49486987
H 3.55158148 7.31533341 -1.46795576
H 4.82524614 3.70112953 -3.35779987
H 5.00557138 6.14652280 -3.07749272
C 3.35373434 -4.56516041 0.58056256
C 3.75085534 -5.76812257 0.00508484
C 4.14745823 -3.98226372 1.56362127
C 4.93038712 -6.37208764 0.40323247
H 3.13813814 -6.23377918 -0.75488963
C 5.32467333 -4.58948267 1.95810967
H 3.83188587 -3.05665908 2.02304445
C 5.72053935 -5.78325017 1.37614843
H 5.23346145 -7.30477487 -0.05006343
H 5.93649151 -4.13123495 2.72114131
H 6.64222275 -6.25573765 1.68198397
C 0.93503125 -5.02825286 -0.82953041
C 1.10818885 -5.19699675 -2.20080301
C 0.08068105 -5.87755181 -0.13540199
C 0.45128093 -6.21799088 -2.86222762
H 1.74632849 -4.51665240 -2.74758501
C -0.57164959 -6.89888175 -0.80293250
H -0.08880720 -5.72620783 0.92030991
C -0.38309287 -7.07595623 -2.16380823
H 0.58840593 -6.34260691 -3.92649238
H -1.23476662 -7.55564667 -0.25891814
H -0.89461991 -7.87367169 -2.68213192
130
conf 128  E=-192.86307714 Eh  dE=1.164 kcal/mol  pop=0.18%
Ir 0.19983034 -0.31536643 0.09618973
C -0.98078210 0.89090227 1.34422573
C -0.48339367 1.39217355 2.57175336
C -2.25983139 1.40262624 1.04039247
C -1.15518361 2.29127217 3.37246482
H 0.46072914 1.01216495 2.93904122
C -2.94307686 2.34946651 1.81673480
C -2.38527139 2.81067605 2.98452881
H -0.72454074 2.59674188 4.31746375
H -2.90204268 3.53549059 3.59760634
C -1.42620333 -1.36606710 -0.68078754
C -2.77249349 -0.96352301 -0.75541480
C -1.22738306 -2.67163490 -1.16564375
C -3.81363924 -1.77554096 -1.22547422
C -2.22384621 -3.49167980 -1.64409992
H -0.21085906 -3.04994436 -1.17441413
C -3.54289454 -3.04932470 -1.66713802
H -1.98450916 -4.48520190 -2.00146961
H -4.33609626 -3.68929773 -2.02725286
C 0.19057979 -1.91941427 1.52996813
C -0.62243135 -1.83017597 2.68305885
C 0.85062564 -3.16463413 1.46179114
C -0.72744765 -2.80564240 3.65250397
H -1.21059335 -0.93683765 2.83439569
C 0.78332629 -4.16471222 2.44433975
C -0.00407940 -3.98717514 3.55560187
H -1.37297919 -2.64491418 4.50686402
H -0.05935711 -4.74461212 4.32516071
C 1.71903020 -1.15007629 -1.17677954
C 2.44083276 -2.35101848 -1.01671351
C 2.31796401 -0.32025747 -2.15476982
C 3.62075500 -2.68023539 -1.70102859
C 3.46517088 -0.62327913 -2.85556054
H 1.85659314 0.62858809 -2.38595900
C 4.14503859 -1.81260127 -2.62723159
H 3.84760852 0.07930277 -3.58588410
H 5.05661523 -2.04905631 -3.15813025
C -0.10103957 1.17854117 -1.33604493
C -0.68608749 0.87180573 -2.58753792
C 0.24112529 2.54071802 -1.22018645
C -0.89425472 1.79361888 -3.59100537
H -0.93790007 -0.15870368 -2.80019640
C 0.01000581 3.50150378 -2.21468885
C -0.57013947 3.13223783 -3.40488618
H -1.31049342 1.47441475 -4.53777792
H -0.74302723 3.85984262 -4.18530735
C 1.90707943 0.55899149 0.94267151
C 2.21685009 1.92878539 1.00565617
C 2.88067046 -0.24337006 1.57047141
C 3.34570505 2.45561293 1.64952656
C 3.98974881 0.24392033 2.22468042
H 2.74626731 -1.31810550 1.53707406
C 4.22941648 1.61305318 2.28018407
H 4.68686074 -0.43751214 2.69639332
H 5.09747209 2.00471801 2.79160769
H -3.92352159 2.69824343 1.50814718
H -4.83311434 -1.40409983 -1.22997314
H 1.37257317 -5.07045308 2.33486441
H 4.12748532 -3.61569757 -1.48969112
H 0.31612516 4.53088035 -2.05771117
H 3.53031001 3.52481860 1.63868970
P -3.24714980 0.68842728 -0.27190932
P 1.21227566 3.14412247 0.16051513
P 1.86895462 -3.65004264 0.07237175
C -3.51072955 1.77154535 -1.70689570
C -3.37238843 3.14684975 -1.57776981
C -3.92841546 1.22319927 -2.91501165
C -3.64384661 3.97077383 -2.65529296
H -3.05462263 3.55813579 -0.63085848
C -4.20660614 2.05228994 -3.98499651
H -4.01933113 0.15048830 -3.01127649
C -4.06441568 3.42522280 -3.85671589
H -3.53043506 5.04098431 -2.55858297
H -4.53204293 1.62841154 -4.92395121
H -4.27829996 4.06971474 -4.69666197
C -4.91235753 0.53933609 0.44247701
C -5.02315201 -0.27317133 1.56861159
C -6.03235524 1.19295175 -0.05431651
C -6.24579671 -0.42890169 2.19084689
H -4.13900802 -0.77545707 1.93952095
C -7.25596972 1.03240360 0.57417052
H -5.94905601 1.82418212 -0.92866175
C -7.36380206 0.22544127 1.69397402
H -6.33182427 -1.05843992 3.06403931
H -8.12722300 1.54095090 0.18743481
H -8.32024081 0.10578027 2.18106024
C 0.27042020 4.24639865 1.25799215
C -0.87462870 4.87218837 0.78217870
C 0.73016977 4.52512913 2.54038243
C -1.55263436 5.77569658 1.58048181
H -1.22228715 4.64999303 -0.21605471
C 0.05427677 5.43659138 3.33017503
H 1.60755397 4.01907510 2.91617568
C -1.08524022 6.06372724 2.85169391
H -2.44498224 6.25930668 1.20947523
H 0.41403548 5.65760755 4.32452204
H -1.61130557 6.77437991 3.47214023
C 2.44001278 4.25286303 -0.59633873
C 3.36501654 3.64082515 -1.43930462
C 2.49851648 5.62278005 -0.37946745
C 4.34239683 4.39547322 -2.05652216
H 3.30742098 2.57071868 -1.59149362
C 3.48200468 6.37417308 -1.00141524
H 1.78176882 6.09991876 0.27554181
C 4.40209050 5.76397157 -1.83666631
H 5.06154584 3.91997246 -2.70686671
H 3.53011827 7.43984152 -0.83024940
H 5.16846316 6.35468796 -2.31636814
C 3.33199637 -4.51842249 0.72997996
C 4.02318740 -3.95494086 1.79806687
C 3.79758864 -5.69941863 0.16052461
C 5.16709476 -4.55994189 2.28340574
H 3.65369718 -3.04638994 2.25127238
C 4.94366574 -6.30105898 0.64953299
H 3.26440994 -6.14956515 -0.66585163
C 5.63181070 -5.73179846 1.70783162
H 5.69908802 -4.11700334 3.11245461
H 5.30068410 -7.21646557 0.20032111
H 6.52773011 -6.20242495 2.08482724
C 1.06339506 -4.96332779 -0.91687095
C 0.15303207 -5.83903187 -0.33593863
C 1.37231872 -5.08854613 -2.26883153
C -0.42122379 -6.84311677 -1.09507683
H -0.12056176 -5.72137941 0.70215530
C 0.79283284 -6.09250763 -3.02231616
H 2.05488749 -4.38753429 -2.72911985
C -0.09853835 -6.97655462 -2.43564837
H -1.12873176 -7.52041694 -0.63926881
H 1.03466803 -6.18311966 -4.07129634
H -0.55019805 -7.76034771 -3.02588829
130
conf 129  E=-192.86306803 Eh  dE=1.170 kcal/mol  pop=0.18%
Ir -0.36564832 -0.03117560 0.13676073
C -1.77823476 0.71148345 1.58146923
C -1.31813107 1.29883666 2.78208135
C -3.18564242 0.76272272 1.49143832
C -2.13006411 1.80677494 3.77475363
H -0.25353911 1.35993123 2.95412994
C -4.03786308 1.24940426 2.49502047
C -3.51296756 1.76781852 3.65357724
H -1.68521879 2.23067984 4.66630634
H -4.15664803 2.13660867 4.44012394
C -1.82849466 -0.85942569 -1.20387079
C -3.23475821 -0.85449058 -1.09702945
C -1.39508699 -1.75651489 -2.20918854
C -4.10429826 -1.64480130 -1.86431849
C -2.22452850 -2.53198494 -2.98996242
H -0.33596192 -1.85568205 -2.39660306
C -3.60247977 -2.49183859 -2.82137880
H -1.79644778 -3.18846628 -3.73755952
H -4.25931144 -3.10882507 -3.41852954
C -0.47919617 -1.98041133 0.90179146
C -1.67446921 -2.44446660 1.48620572
C 0.54684726 -2.94063763 0.94304349
C -1.82531372 -3.67609032 2.08273133
H -2.53209124 -1.78307199 1.46810826
C 0.42030153 -4.20929988 1.52700486
C -0.76518743 -4.57594364 2.11747212
H -2.77355465 -3.95470373 2.52563082
H -0.87455490 -5.54553256 2.58265662
C 1.10668805 -0.46586023 -1.28478943
C 2.11533604 -1.44508343 -1.18309001
C 1.15923520 0.23945637 -2.51031077
C 3.08773426 -1.68426050 -2.16428386
C 2.08408644 -0.00288930 -3.50342219
H 0.39495301 0.97792247 -2.71332300
C 3.08176333 -0.95465210 -3.32918978
H 2.03371098 0.54949330 -4.43287235
H 3.81726665 -1.13700522 -4.09999288
C -0.44346009 1.93225492 -0.56494173
C -1.66351772 2.43567685 -1.05151673
C 0.58272757 2.89480481 -0.58957257
C -1.86333465 3.72519118 -1.48914807
H -2.50218242 1.74935370 -1.09667724
C 0.41264077 4.21864980 -1.01726395
C -0.81677182 4.64175510 -1.46489758
H -2.83670464 4.03117321 -1.85108043
H -0.96438033 5.66098796 -1.79314907
C 1.24971073 0.33445501 1.42759511
C 2.33669105 1.19930367 1.18036392
C 1.41324383 -0.39714219 2.62916563
C 3.48134340 1.28887173 1.98508909
C 2.51054963 -0.29498050 3.45778188
H 0.60732740 -1.04202320 2.95378543
C 3.57971974 0.52942874 3.12591417
H 2.54244678 -0.86005342 4.38052495
H 4.45226635 0.59263714 3.76067372
H -5.11449591 1.19525329 2.36211122
H -5.17442250 -1.59672144 -1.69289136
H 1.25093766 -4.90693843 1.50120830
H 3.82726241 -2.46499973 -2.01733444
H 1.24679937 4.91176385 -0.98461439
H 4.27790084 1.97718032 1.72061534
P -4.08968859 0.22784321 0.04256803
P 2.24011318 2.46007688 -0.08795481
P 2.12220168 -2.64351439 0.14977301
C -4.79846735 1.65585215 -0.85720364
C -5.05463172 1.54741805 -2.22168618
C -5.09429066 2.84161635 -0.19438949
C -5.62450849 2.60466224 -2.90616020
H -4.79165142 0.63824220 -2.74471494
C -5.66644349 3.89531009 -0.88514543
H -4.86003917 2.94542279 0.85463144
C -5.94024298 3.77703314 -2.23788549
H -5.82012020 2.51519320 -3.96489542
H -5.89548099 4.81396308 -0.36531185
H -6.38806771 4.60109117 -2.77363905
C -5.59223435 -0.64188107 0.60451967
C -6.84353850 -0.37225904 0.05910310
C -5.46705460 -1.63848561 1.56732213
C -7.94929708 -1.09743267 0.46656959
H -6.95456917 0.40388181 -0.68575204
C -6.57420686 -2.36058571 1.97076670
H -4.49893581 -1.83958044 2.00207575
C -7.81685400 -2.09454494 1.41831082
H -8.91701854 -0.88442211 0.03608577
H -6.46833352 -3.13449560 2.71660419
H -8.68136774 -2.66191473 1.72968833
C 2.92547648 3.95024398 0.69639349
C 2.25937247 4.40309761 1.83294527
C 4.04961978 4.62349253 0.23658086
C 2.71670462 5.52050933 2.50269738
H 1.38377359 3.86612645 2.17432153
C 4.50289951 5.74411861 0.91240478
H 4.56793589 4.27424668 -0.64617782
C 3.84041588 6.19176816 2.04268563
H 2.20076922 5.87147371 3.38407626
H 5.37705775 6.26821125 0.55406422
H 4.19954914 7.06527558 2.56647198
C 3.33920497 2.20112448 -1.51197893
C 4.46524059 1.39854568 -1.38820217
C 3.08928532 2.87157242 -2.70475605
C 5.33400133 1.26039202 -2.45582359
H 4.65121505 0.89108235 -0.45296721
C 3.96595971 2.73696652 -3.76450884
H 2.20278576 3.48279916 -2.79802806
C 5.08740286 1.93145782 -3.64188113
H 6.20702280 0.63045652 -2.36325744
H 3.77368366 3.25765697 -4.69139897
H 5.76729527 1.82410449 -4.47425117
C 3.51764865 -2.42348737 1.29426328
C 4.63644997 -1.71110896 0.88281496
C 3.50325176 -3.02961578 2.54584839
C 5.73712547 -1.60990195 1.71460540
H 4.63713121 -1.24589986 -0.09198871
C 4.60967085 -2.93341393 3.36890855
H 2.62215848 -3.56310408 2.87182934
C 5.72740907 -2.22628084 2.95441312
H 6.60570178 -1.05251855 1.39414919
H 4.60144507 -3.40827513 4.33919779
H 6.58963816 -2.15254969 3.60083127
C 2.49474900 -4.22891099 -0.66151234
C 1.52891723 -4.69349878 -1.55148917
C 3.64730876 -4.97026338 -0.43933982
C 1.71513331 -5.89280623 -2.20937920
H 0.63405951 -4.10499891 -1.70781666
C 3.82784050 -6.17308051 -1.10204649
H 4.39868157 -4.61201308 0.25162427
C 2.86539265 -6.63481423 -1.98354210
H 0.96426014 -6.25438052 -2.89615853
H 4.72293620 -6.75204548 -0.92637681
H 3.01010608 -7.57515421 -2.49461702
130
conf 130  E=-192.86303412 Eh  dE=1.191 kcal/mol  pop=0.17%
Ir -0.37151998 0.03331823 0.03109213
C -1.72682651 0.82887291 1.48134253
C -1.23185011 1.48808490 2.63036683
C -3.13358744 0.76959247 1.49402563
C -2.00398945 1.90220089 3.69494557
H -0.17170265 1.68247327 2.70166751
C -3.94591266 1.17311399 2.56294186
C -3.38042009 1.71441118 3.69088000
H -1.53171434 2.37470046 4.54693210
H -3.99002186 2.00845101 4.53367471
C -1.84852300 -0.56500700 -1.39498864
C -3.23076433 -0.29711974 -1.39157972
C -1.47113384 -1.29040196 -2.54894989
C -4.10576939 -0.56892341 -2.45260859
C -2.30835858 -1.58159154 -3.60498028
H -0.45349934 -1.64324469 -2.63115369
C -3.63984984 -1.18538659 -3.58745205
H -1.92258333 -2.12012918 -4.46135212
H -4.29477427 -1.38002153 -4.42504945
C -0.62126466 -1.89836768 0.80843763
C -1.87445043 -2.30602360 1.30832395
C 0.35379096 -2.90569186 0.92502698
C -2.12967012 -3.53416346 1.87647204
H -2.70129606 -1.60582370 1.25663290
C 0.12457006 -4.16889889 1.48892074
C -1.12022269 -4.48553651 1.97841105
H -3.12245371 -3.76321759 2.24358605
H -1.31032145 -5.45281873 2.42189955
C 1.13658397 -0.52316134 -1.31356354
C 2.11813399 -1.51331807 -1.09788486
C 1.29067871 0.12557853 -2.56195581
C 3.15621830 -1.80724926 -1.99324026
C 2.27406641 -0.18142551 -3.47848885
H 0.55702885 0.86747951 -2.84984338
C 3.24143177 -1.13690252 -3.19015968
H 2.29598285 0.32427587 -4.43520277
H 4.02578015 -1.36574345 -3.89780095
C -0.36938542 1.98441201 -0.73952855
C -1.56581383 2.56634337 -1.20449205
C 0.73248087 2.84863419 -0.87406945
C -1.66276167 3.82382440 -1.75730736
H -2.48026033 1.98648061 -1.13679076
C 0.66631034 4.13723186 -1.42302691
C -0.53442630 4.62800060 -1.87777497
H -2.62293264 4.19136590 -2.09767913
H -0.59989344 5.61721327 -2.30865669
C 1.22746365 0.37399743 1.34231358
C 2.33542402 1.21285545 1.09932554
C 1.31806919 -0.29077861 2.58842193
C 3.42861919 1.35192496 1.96604924
C 2.35886152 -0.12983121 3.47845501
H 0.49268045 -0.91914569 2.89719969
C 3.44718933 0.67477729 3.16196681
H 2.33164063 -0.63318213 4.43625115
H 4.27495527 0.78597736 3.84809585
H -5.02159959 1.06114655 2.49626539
H -5.15083648 -0.29379674 -2.37471000
H 0.92374134 -4.90156655 1.52844709
H 3.87516829 -2.58473965 -1.75476483
H 1.55782077 4.75300672 -1.47801824
H 4.24632917 2.01677352 1.70629396
P -4.10049713 0.29283650 0.06105737
P 2.34569985 2.37278535 -0.26780712
P 2.00060909 -2.66289059 0.27300810
C -5.14717047 1.74084017 -0.30612941
C -4.68061444 3.00548891 0.04427077
C -6.37907604 1.62041262 -0.94282102
C -5.43412914 4.12892240 -0.23957302
H -3.72917569 3.10326927 0.54721701
C -7.12846222 2.74850671 -1.22506331
H -6.76684843 0.64455389 -1.20226155
C -6.65833997 4.00374498 -0.87590866
H -5.06503094 5.10465909 0.04039848
H -8.08566252 2.64642501 -1.71550586
H -7.24852242 4.88146611 -1.09450641
C -5.30151478 -1.02412275 0.45095588
C -4.99984152 -2.33123440 0.07608534
C -6.48966207 -0.76599157 1.12831325
C -5.87194933 -3.36064360 0.37589735
H -4.08248780 -2.53556984 -0.45718695
C -7.35889939 -1.80043097 1.42554996
H -6.75047576 0.24554895 1.40861060
C -7.05237511 -3.09850294 1.05210454
H -5.62967043 -4.37006747 0.07755634
H -8.28154000 -1.59100155 1.94713603
H -7.73533579 -3.90267952 1.28310259
C 3.01692920 3.90776074 0.44453499
C 2.26787603 4.47921506 1.47059938
C 4.18926308 4.51885878 0.02022495
C 2.68719064 5.65390179 2.06236572
H 1.35543892 3.98989138 1.78627564
C 4.60477091 5.69750870 0.61737887
H 4.77429069 4.07869807 -0.77591933
C 3.85668818 6.26533319 1.63433558
H 2.10409107 6.09782636 2.85555403
H 5.51535170 6.17403130 0.28412426
H 4.18397299 7.18633207 2.09372150
C 3.54558487 1.98941247 -1.57851415
C 4.62944289 1.16543434 -1.30768658
C 3.42789616 2.59733029 -2.82415891
C 5.59011880 0.94698871 -2.27913140
H 4.71220060 0.70539753 -0.33384742
C 4.39523390 2.38245750 -3.78735629
H 2.57246355 3.22298601 -3.03500613
C 5.47666060 1.55846958 -3.51624423
H 6.43109946 0.30132513 -2.07064794
H 4.30632151 2.85555604 -4.75457604
H 6.22916036 1.39053570 -4.27271528
C 3.27847959 -2.45238712 1.54878599
C 4.46563662 -1.80219354 1.24009528
C 3.10440987 -3.02239151 2.80562156
C 5.47301712 -1.71862127 2.18471655
H 4.59106065 -1.37045878 0.25786945
C 4.11797330 -2.94405098 3.74185315
H 2.17106825 -3.51081991 3.04641826
C 5.30218648 -2.29295197 3.43302148
H 6.39480203 -1.20753271 1.94667547
H 3.98482024 -3.38812812 4.71770015
H 6.09053376 -2.23027809 4.16875982
C 2.42462743 -4.27903719 -0.44930085
C 1.58472835 -4.72761962 -1.46607323
C 3.49147007 -5.06527198 -0.03516684
C 1.81004838 -5.95321889 -2.06005700
H 0.75639119 -4.10219631 -1.77311514
C 3.71159283 -6.29486823 -0.63362533
H 4.14621779 -4.72102159 0.75391126
C 2.87403030 -6.73936560 -1.64217620
H 1.15692640 -6.30089083 -2.84671596
H 4.53981710 -6.90750302 -0.30812623
H 3.04873304 -7.70049817 -2.10273046
130
conf 131  E=-192.86301426 Eh  dE=1.204 kcal/mol  pop=0.17%
Ir 0.17118117 -0.32645489 -0.09404049
C -0.79408214 0.88716701 1.31430689
C -0.14056526 1.26765367 2.51066484
C -2.11600726 1.37152745 1.24460972
C -0.73049457 2.00852281 3.51253435
H 0.86308095 0.90412652 2.68789886
C -2.72218679 2.16068371 2.23200988
C -2.02691383 2.48858964 3.37177865
H -0.18199132 2.21837541 4.42161545
H -2.48791492 3.08107854 4.14942767
C -1.57086840 -1.27063987 -0.79400611
C -2.87279460 -0.74052082 -0.81000022
C -1.50937121 -2.55758604 -1.36832891
C -3.98955812 -1.39409816 -1.35128627
C -2.58380556 -3.21864521 -1.92121806
H -0.55135062 -3.06248930 -1.39704162
C -3.84612480 -2.63500620 -1.92400325
H -2.44732207 -4.20021567 -2.35810162
H -4.69478484 -3.14706802 -2.35540726
C 0.10236352 -1.91165914 1.35442835
C -0.82117030 -1.82082857 2.42341968
C 0.75640950 -3.15903256 1.34901464
C -1.01706252 -2.78607167 3.38645866
H -1.42768052 -0.93263881 2.51543812
C 0.55422212 -4.17387807 2.29777699
C -0.31808891 -3.98498159 3.34014869
H -1.73361358 -2.61353945 4.17985738
H -0.47222635 -4.75441135 4.08362037
C 1.33290150 -1.37544998 -1.55483911
C 1.87163477 -2.67520235 -1.46897957
C 1.63110436 -0.77488985 -2.79872380
C 2.51911951 -3.34739306 -2.51638282
C 2.27958189 -1.40376475 -3.84143277
H 1.32966953 0.24911620 -2.96471485
C 2.70873920 -2.71954233 -3.72344496
H 2.44851006 -0.86935288 -4.76776516
H 3.19010153 -3.22952434 -4.54616609
C -0.19379259 1.25949830 -1.41868267
C -0.95041076 1.08503204 -2.60226740
C 0.13427958 2.61292665 -1.19041525
C -1.33556553 2.11397398 -3.43544606
H -1.20457923 0.07836312 -2.90748367
C -0.28786553 3.67998807 -1.99584453
C -1.03712537 3.43516949 -3.12127658
H -1.87616125 1.89474142 -4.34727288
H -1.36257498 4.24605846 -3.75759109
C 2.02023172 0.41902290 0.52152043
C 2.45539301 1.75790630 0.52874837
C 3.01679112 -0.47477748 0.95654403
C 3.74223945 2.16646266 0.90449615
C 4.28553550 -0.10565136 1.34263173
H 2.76417940 -1.53061737 1.00548995
C 4.66590188 1.23247311 1.31133368
H 4.99383111 -0.85702495 1.66895657
H 5.66331679 1.53214974 1.60079285
H -3.75100243 2.48535138 2.11278725
H -4.96832793 -0.92785722 -1.30802358
H 1.06158256 -5.12646921 2.19343724
H 2.86534562 -4.36565671 -2.37127791
H -0.00194678 4.69628896 -1.74380253
H 4.01370042 3.21618334 0.86322698
P -3.24093608 0.83336733 -0.04387740
P 1.34192281 3.07118685 0.05086151
P 1.88317907 -3.63904383 0.04201812
C -3.66423656 2.15382922 -1.21959228
C -3.53153836 3.48233125 -0.83640307
C -4.19360530 1.84176109 -2.46699477
C -3.93211049 4.49263703 -1.69210979
H -3.12041611 3.71502047 0.13517835
C -4.60162772 2.85536138 -3.31398727
H -4.27225650 0.80809460 -2.77106631
C -4.47368232 4.18015805 -2.92766598
H -3.82576095 5.52574261 -1.39354163
H -5.01784435 2.61316169 -4.28093553
H -4.79289908 4.96947816 -3.59233654
C -4.81235947 0.51784066 0.81695846
C -4.79167027 -0.51890153 1.74722302
C -5.98912190 1.21563739 0.58168230
C -5.94119924 -0.85477423 2.43376701
H -3.86699091 -1.05700250 1.91204936
C -7.13949082 0.87309206 1.27298871
H -6.00800178 2.01963452 -0.14184851
C -7.11758062 -0.15918771 2.19519095
H -5.92531658 -1.66137838 3.15177644
H -8.05651152 1.41306994 1.08684448
H -8.01889076 -0.42462884 2.72761842
C 0.67665205 3.98698603 1.47272720
C -0.54466387 4.63921490 1.37441856
C 1.44221492 4.10960744 2.62791950
C -1.00327328 5.40481534 2.43158611
H -1.12373286 4.53990304 0.46794645
C 0.98193135 4.88170848 3.67722379
H 2.38576901 3.58740421 2.70089766
C -0.23990031 5.52975857 3.58023632
H -1.95666219 5.90829733 2.35997606
H 1.57455885 4.97807708 4.57546048
H -0.59821532 6.12976324 4.40383439
C 2.37694303 4.32330462 -0.76931713
C 3.05869259 3.90425987 -1.90948516
C 2.49039764 5.63926612 -0.33989220
C 3.84767266 4.79450063 -2.61059382
H 2.95797240 2.87523234 -2.22954855
C 3.28328765 6.52752289 -1.04713395
H 1.96196003 5.97020123 0.54373171
C 3.96007043 6.10844926 -2.17975502
H 4.37577772 4.46894885 -3.49451219
H 3.37052283 7.55089150 -0.71182466
H 4.57532980 6.80622285 -2.72836012
C 3.62188461 -3.79044970 0.59442009
C 4.65111934 -3.22020167 -0.14860531
C 3.92558122 -4.47515568 1.76754197
C 5.96417830 -3.35898336 0.26295418
H 4.42025299 -2.66109034 -1.04360865
C 5.23969393 -4.60470545 2.17796573
H 3.13574726 -4.90418211 2.36523694
C 6.26272348 -4.05441896 1.42310992
H 6.75692972 -2.91808826 -0.32361723
H 5.46595103 -5.13813696 3.08974428
H 7.28883723 -4.16207516 1.74258195
C 1.43354412 -5.36109720 -0.35299143
C 0.08148631 -5.68971326 -0.41200483
C 2.38932323 -6.33998472 -0.60136777
C -0.30649540 -6.98066392 -0.71466772
H -0.66014380 -4.93242494 -0.20105754
C 1.99455840 -7.63223197 -0.90170585
H 3.44220754 -6.09598230 -0.54748829
C 0.64904203 -7.95456973 -0.95901435
H -1.35683591 -7.22988113 -0.75287667
H 2.74102749 -8.39095184 -1.08683408
H 0.34513411 -8.96527668 -1.18827126
130
conf 132  E=-192.86301316 Eh  dE=1.204 kcal/mol  pop=0.17%
Ir -0.38143516 -0.10427524 0.00812996
C -1.65176921 0.70268106 1.55209767
C -1.08830749 1.31220643 2.69851298
C -3.05794918 0.79558812 1.56970216
C -1.80683137 1.86115627 3.73913568
H -0.01419394 1.35999128 2.79071652
C -3.81874887 1.33718920 2.61909278
C -3.19570390 1.85946049 3.72543258
H -1.28096374 2.29343914 4.58132644
H -3.76682468 2.26623501 4.54827919
C -1.96188760 -0.82071382 -1.25724882
C -3.35470761 -0.78467730 -1.03239169
C -1.63535275 -1.68415967 -2.32841273
C -4.30512441 -1.53640829 -1.73755397
C -2.54925955 -2.41518615 -3.05758625
H -0.59648062 -1.79067866 -2.60825663
C -3.90487798 -2.36208022 -2.75982346
H -2.20651180 -3.05097938 -3.86450192
H -4.62371320 -2.95234834 -3.31098568
C -0.52812328 -2.08352646 0.67913602
C -1.73390060 -2.56275288 1.22734035
C 0.46575102 -3.07723269 0.60815538
C -1.93579455 -3.85453662 1.65896444
H -2.55957528 -1.86529867 1.31223580
C 0.28918570 -4.40176137 1.03197235
C -0.91613214 -4.79573935 1.56269918
H -2.89385927 -4.14819655 2.06978987
H -1.06833509 -5.81432683 1.89104867
C 1.03935650 -0.53922524 -1.46629885
C 2.11053477 -1.44578351 -1.33254495
C 1.08943005 0.17568249 -2.68646734
C 3.16096085 -1.57585471 -2.25199857
C 2.09313907 0.03995185 -3.62100819
H 0.27228105 0.84270239 -2.92716719
C 3.16774859 -0.81388771 -3.39502019
H 2.04713803 0.60039408 -4.54606893
H 3.97094890 -0.89970213 -4.11336844
C -0.42387485 1.84715633 -0.73479802
C -1.61408097 2.34026620 -1.30401789
C 0.63183828 2.77224186 -0.81626639
C -1.74845356 3.57758623 -1.89238250
H -2.48077094 1.69022331 -1.29960420
C 0.52558863 4.04586633 -1.39303923
C -0.66747261 4.45211653 -1.94187327
H -2.69807769 3.87319044 -2.32029202
H -0.76282094 5.42731447 -2.39834196
C 1.26007237 0.19429596 1.28415097
C 2.28535589 1.15171264 1.14960560
C 1.40704618 -0.58607670 2.45763181
C 3.34098254 1.31741642 2.05809049
C 2.42121999 -0.42442906 3.37720980
H 0.64315473 -1.31551737 2.69101051
C 3.41862282 0.52199468 3.17612229
H 2.43893146 -1.03416917 4.27121413
H 4.21852041 0.64868567 3.89189479
H -4.90293295 1.33220295 2.55682208
H -5.35378964 -1.47953441 -1.46335414
H 1.09645966 -5.11933269 0.92843280
H 3.95550200 -2.29284125 -2.07127397
H 1.38154059 4.71302458 -1.39860317
H 4.07873662 2.09705287 1.89675672
P -4.07906150 0.30713122 0.18801530
P 2.24148462 2.39572693 -0.13848492
P 2.08169223 -2.71088192 -0.06552914
C -4.74517882 1.80561597 -0.62265834
C -4.71797310 3.03713632 0.02168613
C -5.28113518 1.71127568 -1.90450288
C -5.24422195 4.15501896 -0.60011801
H -4.26860836 3.12184354 1.00023507
C -5.80697644 2.83228143 -2.51999213
H -5.26961519 0.76169354 -2.42189569
C -5.79613718 4.05437601 -1.86649437
H -5.21739815 5.10988499 -0.09576707
H -6.22291031 2.75359102 -3.51396898
H -6.20621349 4.92920620 -2.34948309
C -5.57884334 -0.47654871 0.86908668
C -5.42217431 -1.47683032 1.82435962
C -6.85895860 -0.10358961 0.47361482
C -6.52883129 -2.10002914 2.36859213
H -4.42882799 -1.75320302 2.14724937
C -7.96435210 -0.73070408 1.02181286
H -6.99414532 0.68023887 -0.25885961
C -7.80250584 -1.72952666 1.96698544
H -6.39932614 -2.87371877 3.11102959
H -8.95573436 -0.43476417 0.71073363
H -8.66775357 -2.21482486 2.39375260
C 2.75085949 3.93993245 0.67253574
C 1.91121610 4.38720404 1.69019858
C 3.87492417 4.67574560 0.32343539
C 2.19718582 5.56360524 2.35356854
H 1.03652525 3.80114594 1.94225513
C 4.15542618 5.85576884 0.99244282
H 4.52503765 4.32948674 -0.46899210
C 3.32025925 6.29939963 2.00370696
H 1.54574507 5.91198312 3.14127160
H 5.02828282 6.43133574 0.72043910
H 3.54300564 7.22156813 2.51978383
C 3.50906928 2.12251147 -1.41296008
C 4.67467026 1.44023700 -1.08482008
C 3.34698056 2.64077045 -2.69256387
C 5.67226122 1.28021730 -2.02900894
H 4.79487810 1.04361479 -0.08713841
C 4.35399646 2.48961447 -3.62836729
H 2.43058730 3.15194117 -2.94981904
C 5.51556730 1.81010968 -3.29913616
H 6.57570790 0.74529536 -1.77323460
H 4.23112401 2.89797554 -4.62080899
H 6.29827020 1.69025692 -4.03376171
C 3.37706686 -2.52981803 1.19592375
C 3.30699399 -3.26813587 2.37276218
C 4.47297825 -1.71418694 0.94965985
C 4.33254727 -3.18644145 3.29536374
H 2.44322763 -3.88922872 2.56345767
C 5.49321404 -1.63212919 1.88024925
H 4.51324762 -1.15040641 0.02919858
C 5.42569069 -2.36969007 3.05034024
H 4.28041804 -3.75796822 4.21072020
H 6.34485124 -0.99380685 1.69285707
H 6.22350689 -2.30568820 3.77564740
C 2.58455355 -4.21969382 -0.94924317
C 3.75475629 -4.92067666 -0.68925722
C 1.73372446 -4.64174419 -1.96836028
C 4.06805157 -6.03888367 -1.44396513
H 4.41874960 -4.59523698 0.10017120
C 2.05156395 -5.75711373 -2.71745426
H 0.82521438 -4.08403422 -2.15561373
C 3.22083839 -6.45656397 -2.45604472
H 4.97850630 -6.58397839 -1.24067460
H 1.39138917 -6.08418321 -3.50703685
H 3.47151324 -7.32801143 -3.04270285
130
conf 133  E=-192.86298828 Eh  dE=1.220 kcal/mol  pop=0.16%
Ir -0.37665144 0.01683994 0.01220567
C -1.65782995 0.94856656 1.45032812
C -1.08588091 1.66753712 2.52757071
C -3.03864568 1.20766064 1.33922935
C -1.76932189 2.53787517 3.34868266
H -0.03375242 1.53926936 2.73668192
C -3.75922509 2.09067265 2.15496020
C -3.12580445 2.77245938 3.16392533
H -1.24217584 3.04904902 4.14487478
H -3.66715376 3.46254403 3.79566229
C -1.92005070 -0.67472833 -1.29625361
C -3.31031436 -0.68588054 -1.06563710
C -1.57664718 -1.48469783 -2.40530093
C -4.24165291 -1.42844069 -1.80440688
C -2.46971968 -2.22234706 -3.15172790
H -0.53933749 -1.54585787 -2.70109171
C -3.82577448 -2.21285967 -2.85111910
H -2.11049824 -2.82109326 -3.97961620
H -4.53178327 -2.79733177 -3.42425045
C -0.62417652 -1.93672530 0.72089142
C -1.85763503 -2.33015184 1.27582213
C 0.31877921 -2.97950374 0.70719354
C -2.12232408 -3.58224455 1.78268770
H -2.65888600 -1.59932038 1.30165488
C 0.07627338 -4.26937773 1.20041233
C -1.14565985 -4.57279659 1.75248355
H -3.09701918 -3.80232037 2.20033887
H -1.34536314 -5.56130115 2.14168912
C 1.07070246 -0.48527166 -1.41560595
C 2.04626684 -1.49574406 -1.29467342
C 1.19717454 0.24408235 -2.62220825
C 3.06232416 -1.73234027 -2.23131667
C 2.16617947 0.00602399 -3.57355796
H 0.45779414 1.00167201 -2.84598041
C 3.13477825 -0.97070983 -3.37313743
H 2.17425698 0.58157065 -4.49031837
H 3.90725235 -1.14715631 -4.10838013
C -0.36201021 1.98600096 -0.69423469
C -1.55812162 2.57707565 -1.14554108
C 0.73725001 2.85787091 -0.78252985
C -1.65669782 3.85210660 -1.65431440
H -2.46819162 1.98970173 -1.08496865
C 0.66793995 4.16734358 -1.27878947
C -0.53080435 4.66595961 -1.73066421
H -2.61498386 4.22839122 -1.99037047
H -0.59789091 5.67091798 -2.12320963
C 1.25535680 0.26552746 1.29928537
C 2.36367428 1.11106410 1.09011457
C 1.36741607 -0.48469586 2.49448777
C 3.47820485 1.18038139 1.93780268
C 2.43715471 -0.40701755 3.36046684
H 0.54054160 -1.12012518 2.78304192
C 3.52529781 0.40946409 3.07476965
H 2.43168560 -0.98361208 4.27658533
H 4.37360957 0.45914727 3.74270904
H -4.81938019 2.23618140 1.99038006
H -5.29319245 -1.38366184 -1.55025703
H 0.84582219 -5.03155853 1.13380782
H 3.77534703 -2.53431949 -2.06873035
H 1.55502586 4.79199563 -1.29336277
H 4.29136194 1.86290346 1.71160336
P -4.09536189 0.34417687 0.17513205
P 2.35121373 2.35958168 -0.19582898
P 1.93951902 -2.74000260 -0.00894716
C -5.18499457 1.49238975 -0.73566161
C -4.87216770 1.81683741 -2.05283470
C -6.31112211 2.05955596 -0.14524810
C -5.65682310 2.71182422 -2.75644617
H -4.01849077 1.35539800 -2.52919928
C -7.09255674 2.95488480 -0.85294125
H -6.59470081 1.78828750 0.86265960
C -6.76374421 3.28884512 -2.15627166
H -5.40462371 2.95701064 -3.77771922
H -7.96380567 3.39035758 -0.38564391
H -7.37539949 3.98959288 -2.70514571
C -5.27896300 -0.60877643 1.18782476
C -6.53530349 -0.96836589 0.70736644
C -4.90517813 -0.99805974 2.47108269
C -7.38911259 -1.72587378 1.48851147
H -6.86046314 -0.64035781 -0.27078995
C -5.76268537 -1.75410360 3.24871052
H -3.94452940 -0.69482025 2.86342524
C -7.00269883 -2.12668888 2.75673730
H -8.36136104 -2.00117739 1.10629067
H -5.46240884 -2.05094285 4.24290207
H -7.67144353 -2.71957789 3.36312805
C 3.00867868 3.84531612 0.62132781
C 2.24438156 4.34089238 1.67532348
C 4.19313253 4.47575600 0.26520965
C 2.66389075 5.46056978 2.36535630
H 1.32205651 3.83707856 1.93508567
C 4.60798092 5.59914763 0.96115042
H 4.78738690 4.09207097 -0.55331116
C 3.84720336 6.09073049 2.00811464
H 2.07113400 5.84607444 3.18158799
H 5.52879214 6.09146248 0.68354503
H 4.17569680 6.96707885 2.54694309
C 3.54780972 2.04432288 -1.52737676
C 4.61936492 1.18897332 -1.30657492
C 3.43123457 2.71243613 -2.74171610
C 5.57015905 1.00295034 -2.29405628
H 4.70051456 0.67799662 -0.35857036
C 4.38929387 2.52987077 -3.72104318
H 2.58407758 3.36015010 -2.91666830
C 5.45922195 1.67688118 -3.49870004
H 6.40066097 0.33305609 -2.12355493
H 4.30148088 3.05088629 -4.66351103
H 6.20441827 1.53440621 -4.26752919
C 3.27081514 -2.63437145 1.22419755
C 4.44449943 -1.95787470 0.91978686
C 3.14353894 -3.29119489 2.44357318
C 5.48548057 -1.93631785 1.83048723
H 4.53263008 -1.45589601 -0.03256187
C 4.19053364 -3.27408738 3.34557960
H 2.22060993 -3.79964702 2.68306654
C 5.36147064 -2.59788027 3.04069359
H 6.39659167 -1.40483701 1.59559972
H 4.09388998 -3.78587160 4.29203579
H 6.17593755 -2.58321132 3.74985507
C 2.29204823 -4.30076479 -0.87341318
C 1.37946259 -4.66508506 -1.86082832
C 3.39584193 -5.10326812 -0.61774347
C 1.57149124 -5.82521902 -2.58426545
H 0.52346441 -4.02795528 -2.04304896
C 3.58258729 -6.26589674 -1.34696964
H 4.10534542 -4.82182648 0.14876074
C 2.67461658 -6.62666553 -2.32778902
H 0.86363626 -6.10856721 -3.34890378
H 4.44091750 -6.89106317 -1.14756039
H 2.82579841 -7.53407721 -2.89365353
130
conf 134  E=-192.86296384 Eh  dE=1.235 kcal/mol  pop=0.16%
Ir 0.18184891 0.29209862 -0.01582522
C -1.33105888 1.53282005 0.72657261
C -1.00684007 2.81235458 1.21856879
C -2.70921645 1.26333369 0.79110567
C -1.91789807 3.70525794 1.73518778
H 0.03270982 3.12027547 1.18502885
C -3.66517268 2.15662005 1.29536147
C -3.27014478 3.38062843 1.78060094
H -1.58431732 4.66838872 2.10119930
H -3.99523864 4.07801951 2.17601614
C -1.06147757 -0.76010740 -1.33315893
C -2.42196268 -1.06733569 -1.13010042
C -0.55917218 -1.31000958 -2.53704343
C -3.19209752 -1.86297364 -1.99003484
C -1.30654773 -2.06652848 -3.41441337
H 0.45932433 -1.08173439 -2.82211316
C -2.63172475 -2.37896149 -3.13400302
H -0.86121576 -2.42067877 -4.33526192
H -3.21494385 -2.98705008 -3.81107024
C -0.36360956 -1.17940370 1.37071068
C -1.01925866 -0.84252831 2.57925443
C -0.20506589 -2.57151843 1.21661675
C -1.46341076 -1.76459235 3.50303076
H -1.13461229 0.20395527 2.82864144
C -0.67744038 -3.52845041 2.12571186
C -1.32361075 -3.12786760 3.27084853
H -1.92391310 -1.42691189 4.42261995
H -1.68698052 -3.85371548 3.98460306
C 1.83617875 -0.74933544 -0.76381414
C 2.04090412 -2.14003390 -0.77822897
C 2.92035288 -0.03742441 -1.31364619
C 3.18862787 -2.76343275 -1.28829863
C 4.05194876 -0.61939898 -1.83823001
H 2.86447754 1.04584310 -1.32132545
C 4.19674522 -2.00317708 -1.83191176
H 4.83802227 0.00074367 -2.25097525
H 5.08527776 -2.47008672 -2.23315562
C 0.29126365 1.91552275 -1.40253579
C -0.63375718 1.97701182 -2.47240842
C 0.98007577 3.13575425 -1.25039603
C -0.87353765 3.09219549 -3.24570467
H -1.20881319 1.09425494 -2.71226355
C 0.75455771 4.28691017 -2.01716464
C -0.18649629 4.27757517 -3.01652581
H -1.61061050 3.04643564 -4.03801302
H -0.37875526 5.16107251 -3.60901501
C 1.71219407 0.98123458 1.30743503
C 2.62885628 2.03034155 1.09412420
C 2.10799604 0.16554542 2.39476271
C 3.81064116 2.22530223 1.82169700
C 3.26015961 0.33596898 3.13131966
H 1.47399880 -0.66148505 2.68022857
C 4.14264257 1.36908831 2.84200151
H 3.48424361 -0.34684998 3.94163623
H 5.05588232 1.50131497 3.40508376
H -4.71691343 1.88992608 1.28833653
H -4.23762133 -2.04968445 -1.76619253
H -0.50993800 -4.58441620 1.93882466
H 3.28898100 -3.84281194 -1.24064226
H 1.32318609 5.18734554 -1.82156306
H 4.46518368 3.05295178 1.57898920
P -3.37138934 -0.27619388 0.16771484
P 2.33612602 3.34107152 -0.09446409
P 0.82592322 -3.25189667 -0.08191679
C -4.92665021 0.19674113 -0.64681460
C -6.16924643 -0.33427878 -0.32891916
C -4.81123678 1.14085990 -1.66465971
C -7.29134770 0.08221050 -1.02596578
H -6.25980614 -1.06817869 0.46071211
C -5.93368010 1.55200322 -2.35524575
H -3.83351408 1.54418753 -1.89552489
C -7.17548850 1.02207395 -2.03583510
H -8.25903428 -0.32942525 -0.77844134
H -5.84521216 2.28565730 -3.14269109
H -8.05412649 1.34333202 -2.57542291
C -3.90566639 -1.42315669 1.47257730
C -4.37220072 -0.92868239 2.68607565
C -3.91149004 -2.79081912 1.23271675
C -4.84851921 -1.80161718 3.64595616
H -4.34682817 0.13479906 2.87565416
C -4.38134017 -3.66013882 2.20057816
H -3.54902639 -3.16165261 0.28533524
C -4.85461239 -3.16658451 3.40468335
H -5.21384732 -1.41875019 4.58783320
H -4.38063351 -4.72472722 2.01547459
H -5.22448374 -3.84577449 4.15869906
C 2.17012150 4.87436774 0.88362260
C 1.73850368 4.78682261 2.20428945
C 2.45066027 6.12588135 0.34187400
C 1.56614250 5.93190267 2.95970772
H 1.55038838 3.81655378 2.64248318
C 2.27600629 7.26865862 1.10128850
H 2.82702976 6.21198656 -0.66855675
C 1.82644224 7.17549612 2.40804248
H 1.23002670 5.85234880 3.98312556
H 2.49545704 8.23536701 0.67169120
H 1.68932627 8.07016944 2.99727740
C 3.81539889 3.67563487 -1.11120627
C 4.90281601 4.38841169 -0.61304945
C 3.85981446 3.19207409 -2.41583838
C 6.02286870 4.58989593 -1.39911091
H 4.87079116 4.80721671 0.38380029
C 4.98137770 3.39671764 -3.19809443
H 3.00652482 2.66609538 -2.82086537
C 6.06807856 4.08889568 -2.68961614
H 6.86194573 5.14348027 -1.00323868
H 5.00561215 3.01681656 -4.20892469
H 6.94494562 4.24693225 -3.30002734
C 1.80835469 -4.53212089 0.75581868
C 2.68020705 -4.07492170 1.74148077
C 1.71934700 -5.89024812 0.48209433
C 3.45900709 -4.97230976 2.44446761
H 2.73670692 -3.01181206 1.93775117
C 2.50322931 -6.78523984 1.19122101
H 1.04225746 -6.24635145 -0.28283375
C 3.37053691 -6.32926603 2.16930895
H 4.13670816 -4.61822099 3.20703856
H 2.43572034 -7.84226544 0.97816123
H 3.97953678 -7.03209567 2.71844954
C -0.10589105 -4.18281435 -1.33433958
C -1.38042661 -4.65158639 -1.04479729
C 0.48417543 -4.48500229 -2.55713930
C -2.06180952 -5.41872408 -1.97254636
H -1.82689526 -4.41314282 -0.09070744
C -0.19785216 -5.25941372 -3.47649659
H 1.46783254 -4.10039901 -2.78537661
C -1.46973596 -5.72753058 -3.18554659
H -3.05567142 -5.77886000 -1.74862731
H 0.26062220 -5.49722106 -4.42535940
H -2.00094902 -6.32989300 -3.90778706
130
conf 135  E=-192.86296262 Eh  dE=1.236 kcal/mol  pop=0.16%
Ir 0.15447840 -0.34478856 0.05960355
C -0.82431707 0.89335513 1.43560358
C -0.16547129 1.36656737 2.59574239
C -2.13524687 1.39877874 1.31900431
C -0.73177454 2.22667512 3.51229220
H 0.82559865 0.99139242 2.81417651
C -2.72030244 2.29848063 2.22122768
C -2.01397543 2.72757442 3.31943312
H -0.17678326 2.51379115 4.39616636
H -2.45525711 3.41415180 4.02808959
C -1.57609407 -1.35099837 -0.53905758
C -2.89577389 -0.86566481 -0.54593409
C -1.48601171 -2.67807304 -1.00130369
C -4.00494685 -1.60299940 -0.98370286
C -2.55164397 -3.42357004 -1.45183252
H -0.50888145 -3.14874499 -0.99871811
C -3.83412939 -2.88385327 -1.45317987
H -2.39439661 -4.43678094 -1.80061804
H -4.67911302 -3.46134730 -1.80094269
C 0.15896073 -1.94308766 1.48212503
C -0.65615219 -1.84901657 2.63541333
C 0.69479950 -3.23855171 1.33772123
C -0.91578452 -2.88418137 3.50724774
H -1.12268651 -0.90229057 2.86503134
C 0.45377766 -4.30815623 2.21116031
C -0.36044404 -4.14075270 3.30329221
H -1.55989775 -2.71673177 4.36158846
H -0.55673475 -4.95868328 3.98225891
C 1.46954607 -1.26218654 -1.35903159
C 2.23723864 -2.43308695 -1.19471234
C 1.90472514 -0.51740630 -2.48168891
C 3.32560274 -2.80153527 -1.99732316
C 2.96443087 -0.85859735 -3.29401876
H 1.38096721 0.39274920 -2.73535834
C 3.70585568 -2.00779968 -3.05085863
H 3.22765899 -0.21941885 -4.12785498
H 4.54953644 -2.27343391 -3.67228778
C -0.27089105 1.17265237 -1.31880493
C -1.03503266 0.91554757 -2.48229510
C 0.08926893 2.53044056 -1.20229641
C -1.39717632 1.87891269 -3.39956723
H -1.30866547 -0.10777266 -2.70292543
C -0.29884034 3.53312367 -2.10204791
C -1.05799485 3.21241530 -3.20196440
H -1.94833831 1.59732578 -4.28762135
H -1.35751115 3.97309414 -3.90904406
C 1.99263624 0.45655233 0.66403382
C 2.38314486 1.80683473 0.64736305
C 3.00800894 -0.39416694 1.14377267
C 3.63717960 2.27123305 1.06918750
C 4.24186486 0.03148615 1.58076764
H 2.80910080 -1.46049313 1.16606891
C 4.56989958 1.38328760 1.54981378
H 4.96616449 -0.68741887 1.94314171
H 5.53904032 1.72694206 1.88324340
H -3.74082855 2.63491987 2.06821152
H -4.99879328 -1.16977410 -0.93956006
H 0.91995774 -5.26878332 2.03170165
H 3.87184071 -3.71201757 -1.78395157
H 0.02312490 4.55778714 -1.94566362
H 3.87757317 3.32724454 1.00260068
P -3.27403631 0.76198250 0.08993231
P 1.28784805 3.07151587 0.01548233
P 1.83341108 -3.68388089 0.02394247
C -3.71335178 1.97290356 -1.19299951
C -3.54214379 3.32949108 -0.95113154
C -4.28860075 1.54743543 -2.38553563
C -3.94393344 4.25632992 -1.89615045
H -3.09873421 3.64792057 -0.01921914
C -4.69699862 2.47852396 -3.32194577
H -4.40056844 0.48998594 -2.57749508
C -4.52613100 3.83235099 -3.07876885
H -3.80611429 5.31165976 -1.70911431
H -5.14682235 2.14940876 -4.24736804
H -4.84376990 4.55692490 -3.81414831
C -4.83237303 0.53298001 0.99947440
C -4.79425524 -0.39626947 2.03658601
C -6.00813167 1.21745966 0.72308533
C -5.92630084 -0.63861477 2.78868338
H -3.86891791 -0.92223980 2.23408323
C -7.14051520 0.96935725 1.48106539
H -6.03966155 1.93917057 -0.08214406
C -7.10128886 0.04475103 2.51069679
H -5.89741858 -1.36032443 3.59147083
H -8.05632043 1.50026377 1.26499637
H -7.98774063 -0.14499546 3.09769796
C 0.58213446 4.13855077 1.30669271
C -0.62944385 4.78025194 1.08667719
C 1.28585086 4.36762982 2.48428806
C -1.13592433 5.64589403 2.03927971
H -1.16393496 4.59685440 0.16630003
C 0.77931061 5.24102711 3.42822610
H 2.21841178 3.85062846 2.65934014
C -0.43034047 5.88079969 3.20735740
H -2.08158299 6.14069346 1.87006047
H 1.32639729 5.42221833 4.34202918
H -0.82471833 6.55965912 3.94913868
C 2.38187218 4.19192831 -0.90923181
C 3.10211184 3.60830908 -1.94913015
C 2.51697551 5.54830770 -0.64613435
C 3.95281137 4.37811999 -2.71700004
H 2.98545364 2.54840846 -2.13600879
C 3.37241686 6.31497260 -1.42005399
H 1.95807560 6.00289864 0.16094256
C 4.08848283 5.73327272 -2.45233075
H 4.51269076 3.92560944 -3.52196715
H 3.47958475 7.37027576 -1.21481546
H 4.75437415 6.33624147 -3.05188683
C 3.33857315 -4.31161970 0.84146778
C 4.15945959 -5.25642758 0.23125556
C 3.68559389 -3.81627434 2.09492497
C 5.31769514 -5.68016106 0.85739957
H 3.88634613 -5.67744975 -0.72731362
C 4.84413806 -4.24342141 2.71703605
H 3.03677938 -3.10595541 2.58791517
C 5.66591954 -5.17046781 2.09732795
H 5.94897435 -6.41311655 0.37624837
H 5.10481565 -3.85350308 3.69002386
H 6.57173905 -5.50260138 2.58269656
C 1.26090815 -5.13975394 -0.92315295
C 1.27881432 -6.42263178 -0.38324490
C 0.78545970 -4.95546753 -2.21886848
C 0.80314822 -7.49459697 -1.11648872
H 1.68290551 -6.59520071 0.60448814
C 0.31337219 -6.03036864 -2.94911047
H 0.79492627 -3.96691422 -2.65648012
C 0.31272169 -7.30079748 -2.39718775
H 0.81882585 -8.48569442 -0.68668727
H -0.05377432 -5.87483776 -3.95296441
H -0.05984167 -8.13996740 -2.96591431
130
conf 136  E=-192.86294657 Eh  dE=1.246 kcal/mol  pop=0.15%
Ir -0.38765268 0.01109243 0.02405018
C -1.72532365 0.85870622 1.46110867
C -1.19765199 1.54685299 2.57975005
C -3.11396787 1.06671128 1.33961343
C -1.92891912 2.34178146 3.43566004
H -0.14231245 1.45702690 2.79281967
C -3.88338378 1.86803637 2.19433960
C -3.29367958 2.52010917 3.24837567
H -1.43439606 2.83511871 4.26325441
H -3.87484957 3.14516260 3.91180515
C -1.88597279 -0.69498393 -1.33274783
C -3.27721064 -0.76890997 -1.11740720
C -1.49815981 -1.47658473 -2.44795211
C -4.16714967 -1.55370916 -1.86344064
C -2.35056514 -2.24992237 -3.20589134
H -0.45846276 -1.48295300 -2.74110390
C -3.70635569 -2.31323554 -2.90994326
H -1.95816240 -2.82169024 -4.03791736
H -4.37846753 -2.93243721 -3.48734461
C -0.61165278 -1.96229442 0.68815500
C -1.84072226 -2.38651463 1.23064731
C 0.35094011 -2.98652659 0.66666276
C -2.08338108 -3.64941960 1.72141164
H -2.65682651 -1.67225545 1.26057978
C 0.13046879 -4.28718439 1.14200176
C -1.08769790 -4.62057121 1.68464711
H -3.05548706 -3.89378822 2.13138337
H -1.27033154 -5.61722462 2.06124947
C 1.08987607 -0.42658492 -1.39344023
C 2.06878368 -1.43623338 -1.29816700
C 1.22126126 0.34206303 -2.57490104
C 3.08867871 -1.64180535 -2.23794176
C 2.19520793 0.13643620 -3.52870322
H 0.48115999 1.10475028 -2.77805852
C 3.16410403 -0.84497304 -3.35534194
H 2.20645338 0.74116653 -4.42641577
H 3.93943494 -0.99734332 -4.09289931
C -0.39313243 2.00262897 -0.61393701
C -1.59303802 2.59055436 -1.05863292
C 0.69135040 2.89718484 -0.64900715
C -1.70893045 3.88538701 -1.51113205
H -2.49150837 1.98332501 -1.04005004
C 0.60410117 4.22576684 -1.08799158
C -0.59808129 4.72273652 -1.53312169
H -2.66961978 4.25794040 -1.84469726
H -0.67875789 5.74332267 -1.87999860
C 1.21769914 0.25075222 1.34698579
C 2.32417274 1.10595048 1.16861326
C 1.32593748 -0.53193024 2.52158073
C 3.43589392 1.15206723 2.02178704
C 2.39321192 -0.47880384 3.39247939
H 0.49897116 -1.17634209 2.78909316
C 3.48164528 0.34668727 3.13440010
H 2.38596637 -1.08211511 4.29122931
H 4.32844730 0.37636425 3.80548562
H -4.94886396 1.96787708 2.02886784
H -5.22027524 -1.56576294 -1.61149027
H 0.91438426 -5.03390916 1.06888418
H 3.80189183 -2.44793304 -2.09831758
H 1.47997287 4.86583560 -1.06371867
H 4.24801101 1.84289609 1.81860070
P -4.11550507 0.25379956 0.09218785
P 2.30863454 2.39702688 -0.07406164
P 1.96916422 -2.71278308 -0.04396319
C -5.11925064 1.44009463 -0.87076899
C -6.23332807 2.07434699 -0.32841835
C -4.75016276 1.72094481 -2.18372346
C -6.94674402 2.99201882 -1.07819252
H -6.56252238 1.83992116 0.67444214
C -5.46750927 2.63729147 -2.93004310
H -3.90359518 1.21056498 -2.62168026
C -6.56219449 3.28112200 -2.37692346
H -7.80868622 3.48031623 -0.64708159
H -5.17163702 2.84758446 -3.94736824
H -7.12068919 3.99944151 -2.95878881
C -5.38286421 -0.69716355 0.99618845
C -5.08660495 -1.18135297 2.26694184
C -6.62940056 -0.96798470 0.43760128
C -6.01379769 -1.93944818 2.95800120
H -4.13228281 -0.94936323 2.71874310
C -7.55305726 -1.72773376 1.13236811
H -6.88891203 -0.57018745 -0.53457261
C -7.24571211 -2.21988598 2.39017544
H -5.77489931 -2.30985559 3.94414708
H -8.51749346 -1.93354108 0.69100097
H -7.96935762 -2.81322723 2.92940846
C 2.95801917 3.85641448 0.79544396
C 4.14263145 4.50057962 0.46477066
C 2.19333379 4.31130273 1.86734675
C 4.55692336 5.59635546 1.20367592
H 4.73806498 4.14870504 -0.36704465
C 2.61203951 5.40391434 2.60014477
H 1.27145667 3.79720449 2.10760804
C 3.79554342 6.04741301 2.26838158
H 5.47813369 6.09868361 0.94610990
H 2.01876081 5.75722963 3.43044709
H 4.12423239 6.90211353 2.84095885
C 3.50872098 2.14094451 -1.41493464
C 3.38693678 2.85498270 -2.60230707
C 4.58723345 1.28707333 -1.22622967
C 4.34599398 2.71738664 -3.58790797
H 2.53499995 3.50276065 -2.75150418
C 5.53920653 1.14673232 -2.22002975
H 4.67223941 0.74138422 -0.29802214
C 5.42234296 1.86477156 -3.39823366
H 4.25398755 3.27314126 -4.50976705
H 6.37570185 0.47822350 -2.07504110
H 6.16794973 1.75737377 -4.17231368
C 3.30449424 -2.62172121 1.18640415
C 4.47288745 -1.93333759 0.88757033
C 3.18790916 -3.29929780 2.39519728
C 5.52023740 -1.92410822 1.79112331
H 4.55317329 -1.41343824 -0.05571911
C 4.24114032 -3.29361980 3.29036799
H 2.26855981 -3.81518956 2.63233130
C 5.40765069 -2.60818239 2.98960727
H 6.42763877 -1.38505370 1.55918076
H 4.15272834 -3.82197571 4.22846398
H 6.22771857 -2.60411734 3.69255756
C 2.32929797 -4.25051989 -0.94572926
C 1.41331163 -4.59598651 -1.93693410
C 3.43610251 -5.05514806 -0.71155272
C 1.60502162 -5.73971099 -2.68596221
H 0.55492428 -3.95720119 -2.10146056
C 3.62238524 -6.20146451 -1.46646266
H 4.14804485 -4.78881709 0.05825498
C 2.71112529 -6.54363315 -2.45092554
H 0.89446026 -6.00838611 -3.45350021
H 4.48267572 -6.82903242 -1.28385872
H 2.86195587 -7.43864662 -3.03626349
130
conf 137  E=-192.86294385 Eh  dE=1.248 kcal/mol  pop=0.15%
Ir -0.40387733 0.07587352 -0.10221639
C -1.59638408 0.93685119 1.46764734
C -0.94349620 1.65901065 2.49540200
C -2.99234682 1.13121013 1.51668177
C -1.57301074 2.45658357 3.42621338
H 0.13173848 1.59369290 2.57517523
C -3.66096985 1.94808600 2.44159271
C -2.95223314 2.61990547 3.40669246
H -0.98452523 2.97032393 4.17657724
H -3.45250072 3.25628665 4.12327164
C -2.04361648 -0.31738838 -1.43952281
C -3.42850925 -0.19760232 -1.19560154
C -1.79133101 -0.83208096 -2.73164890
C -4.43580147 -0.46333405 -2.13611358
C -2.76111461 -1.12689064 -3.66722566
H -0.76765511 -1.00973373 -3.02723383
C -4.10601423 -0.92242715 -3.38797223
H -2.47098873 -1.51041988 -4.63733320
H -4.86996957 -1.12144841 -4.12670414
C -0.67954772 -1.92982407 0.40329530
C -1.90186569 -2.32787557 0.97432487
C 0.19884529 -3.01149087 0.20567789
C -2.23497448 -3.62476793 1.29296586
H -2.62517204 -1.54959308 1.19219021
C -0.11117515 -4.34472736 0.50695473
C -1.33604727 -4.65810680 1.04760201
H -3.19890768 -3.84518145 1.73356182
H -1.59178163 -5.68244674 1.27977981
C 1.00852182 -0.34076006 -1.59913452
C 1.98996501 -1.35349005 -1.56119785
C 1.15284617 0.49907405 -2.73039440
C 3.03313303 -1.48626163 -2.48878658
C 2.14638241 0.36368656 -3.67657598
H 0.41099596 1.26832365 -2.89936240
C 3.12500551 -0.61565759 -3.54758817
H 2.16636930 1.02398642 -4.53412257
H 3.91964188 -0.70809451 -4.27442463
C -0.32190066 2.09689532 -0.65649956
C -1.48995744 2.76795890 -1.07016923
C 0.81740779 2.91877646 -0.71052789
C -1.52435113 4.06636913 -1.52691182
H -2.42416889 2.22115600 -1.03078482
C 0.81300045 4.24913966 -1.15408211
C -0.35935795 4.82430729 -1.58216670
H -2.46139176 4.50835615 -1.84245876
H -0.37693524 5.84505195 -1.93753843
C 1.24245245 0.15581993 1.18566565
C 2.35849435 1.00991692 1.08078027
C 1.31209660 -0.68863002 2.31901863
C 3.43858024 1.01376383 1.97470211
C 2.34803070 -0.67949169 3.22827488
H 0.47850234 -1.34739655 2.52322395
C 3.44259765 0.15836637 3.05059122
H 2.31029874 -1.32774380 4.09420745
H 4.26280096 0.15870692 3.75460234
H -4.73870096 2.05937518 2.38691875
H -5.47576159 -0.28480546 -1.87857834
H 0.60974851 -5.12970336 0.30322301
H 3.75259630 -2.29227494 -2.38414095
H 1.72968464 4.82969498 -1.14615278
H 4.25747227 1.71219481 1.83452141
P -4.09924273 0.29139856 0.39012792
P 2.40345127 2.34301842 -0.11640736
P 1.84429786 -2.73252705 -0.42832926
C -5.51978810 1.39556444 0.08829612
C -5.35644735 2.47252228 -0.77753861
C -6.73698420 1.22003987 0.73897627
C -6.39186449 3.36445600 -0.98265720
H -4.41564457 2.60280891 -1.29197706
C -7.77072777 2.11615303 0.53092218
H -6.87743722 0.38425640 1.41061496
C -7.59975023 3.19060122 -0.32558961
H -6.25708374 4.19950759 -1.65416854
H -8.71162300 1.97533833 1.04278097
H -8.40724576 3.89054834 -0.48153366
C -4.89620971 -1.12389262 1.23423631
C -5.42211941 -2.18462120 0.50542944
C -4.98202861 -1.13298957 2.62392562
C -6.04837982 -3.22985291 1.16067756
H -5.32331733 -2.20042352 -0.56992977
C -5.60661508 -2.18204479 3.27250650
H -4.54415955 -0.32419071 3.19246227
C -6.14784059 -3.22818559 2.54236418
H -6.45484575 -4.05231179 0.59030416
H -5.66809026 -2.18543690 4.35102121
H -6.63539831 -4.04689703 3.05096699
C 3.05259538 3.76880965 0.80833940
C 2.23553100 4.24789997 1.82987587
C 4.27249189 4.37969821 0.55105258
C 2.63638846 5.33229421 2.58438830
H 1.28486435 3.76331486 2.01133040
C 4.66856309 5.46762225 1.31133551
H 4.90815108 4.01008730 -0.24253425
C 3.85410832 5.94401521 2.32445226
H 2.00048990 5.70579511 3.37330934
H 5.61597998 5.94577662 1.10884271
H 4.16680594 6.79484545 2.91153105
C 3.64944192 2.08101338 -1.41417399
C 4.69565368 1.19551310 -1.18964511
C 3.60447374 2.81523048 -2.59431548
C 5.69367979 1.04808566 -2.13595504
H 4.72220958 0.63233418 -0.26834430
C 4.61033708 2.67187133 -3.53190913
H 2.77745919 3.48619073 -2.77616878
C 5.65563723 1.79077821 -3.30402385
H 6.50476884 0.35581126 -1.96070306
H 4.57927875 3.24646207 -4.44620521
H 6.43872891 1.68033668 -4.03977208
C 3.09767791 -2.77612551 0.88665816
C 4.29973450 -2.10040336 0.72638525
C 2.87918675 -3.55009458 2.02148217
C 5.27675409 -2.19104613 1.70134144
H 4.45799929 -1.51084270 -0.16466968
C 3.86292308 -3.64424838 2.98746643
H 1.93515742 -4.06172423 2.14505094
C 5.06080340 -2.96491006 2.82932978
H 6.20991464 -1.65968508 1.58138183
H 3.69543982 -4.24556248 3.86925315
H 5.82500413 -3.03617066 3.58925957
C 2.24921791 -4.19253418 -1.43339476
C 1.42744920 -4.42394355 -2.53416764
C 3.31552861 -5.04316086 -1.17276447
C 1.67319793 -5.49777144 -3.36653414
H 0.60040321 -3.75077497 -2.71942742
C 3.55631159 -6.11891489 -2.01105451
H 3.95470812 -4.86606476 -0.31840517
C 2.73971610 -6.34595674 -3.10577301
H 1.03693197 -5.67661125 -4.22055933
H 4.38587891 -6.78061462 -1.80804416
H 2.93412265 -7.18498939 -3.75735833
130
conf 138  E=-192.86289477 Eh  dE=1.279 kcal/mol  pop=0.15%
Ir -0.37106893 -0.02080299 -0.03335734
C -1.70775125 0.94343761 1.33243729
C -1.17571699 1.70679793 2.39969560
C -3.07908782 1.21277673 1.14646373
C -1.88105103 2.63436247 3.13551144
H -0.13890831 1.56892092 2.67054678
C -3.81986685 2.15730818 1.86967806
C -3.21950456 2.88886844 2.86431595
H -1.38398120 3.17827120 3.92945877
H -3.77374811 3.63062968 3.42210174
C -1.85940792 -0.70599514 -1.40665759
C -3.25891866 -0.71157900 -1.24010472
C -1.46958752 -1.48490275 -2.52216564
C -4.16050057 -1.41083627 -2.05410049
C -2.33246051 -2.18674844 -3.33582138
H -0.41947388 -1.54876117 -2.76778470
C -3.70220832 -2.16330581 -3.10668897
H -1.93912735 -2.76354478 -4.16375664
H -4.38664385 -2.71189896 -3.73853259
C -0.64564196 -1.96921164 0.67187291
C -1.90474835 -2.35642437 1.16953663
C 0.29219268 -3.01633149 0.70421288
C -2.20022529 -3.60600911 1.66474464
H -2.69961831 -1.61891724 1.16016369
C 0.01974972 -4.30458780 1.18570486
C -1.22846312 -4.60179586 1.67945835
H -3.19433482 -3.81902706 2.03810859
H -1.45150096 -5.58919115 2.05859786
C 1.14551896 -0.53000392 -1.38602444
C 2.11644832 -1.53683742 -1.20963711
C 1.34011675 0.20109307 -2.58250585
C 3.18639189 -1.76873810 -2.08553244
C 2.36536043 -0.03066501 -3.47460940
H 0.61253627 0.95614185 -2.84913784
C 3.32395305 -1.00449058 -3.21946890
H 2.42600515 0.54760718 -4.38764551
H 4.13926223 -1.17627572 -3.90799769
C -0.33446207 1.94372609 -0.76083963
C -1.50537506 2.51920221 -1.29303356
C 0.76029926 2.82485049 -0.78817729
C -1.58294513 3.79102142 -1.81379484
H -2.41234230 1.92394414 -1.28897205
C 0.71040276 4.13090520 -1.29599597
C -0.46278393 4.61611093 -1.82290494
H -2.52117080 4.15729351 -2.21164255
H -0.51537755 5.61914464 -2.22249084
C 1.19390438 0.24071947 1.33298492
C 2.29912897 1.10253422 1.18519570
C 1.25156468 -0.50948066 2.53210506
C 3.36335670 1.18924213 2.09367762
C 2.27121544 -0.41703887 3.45533649
H 0.41999006 -1.15760845 2.77511299
C 3.35994535 0.41744684 3.23105882
H 2.22530315 -0.99614095 4.36872426
H 4.16867296 0.48026723 3.94543162
H -4.86630343 2.31627090 1.64009740
H -5.22417388 -1.34996369 -1.86027634
H 0.78744583 -5.07079219 1.15532847
H 3.89105758 -2.56880350 -1.88184990
H 1.59103856 4.76376167 -1.25964226
H 4.17641201 1.88524121 1.91331935
P -4.09301385 0.25643782 0.02046412
P 2.34242755 2.34649934 -0.10455001
P 1.94684765 -2.77878979 0.07081123
C -5.27675339 1.32868528 -0.85924455
C -4.97523119 1.75522981 -2.14909728
C -6.46036023 1.75200653 -0.26009765
C -5.83531562 2.60403527 -2.82110966
H -4.07144344 1.40779038 -2.62983256
C -7.31710216 2.60156588 -0.93629438
H -6.72337654 1.40444635 0.73029607
C -7.00432868 3.03356237 -2.21465048
H -5.59358635 2.92943416 -3.82230265
H -8.23341502 2.92519078 -0.46415411
H -7.67527284 3.69761320 -2.73934069
C -5.18662623 -0.75844544 1.07846901
C -6.37934992 -1.29627314 0.60387639
C -4.80878159 -1.00236999 2.39638779
C -7.16470024 -2.08399144 1.42608600
H -6.71159131 -1.08672348 -0.40325368
C -5.59764248 -1.78901731 3.21498309
H -3.89694849 -0.56650587 2.78054729
C -6.77334715 -2.33797326 2.73013880
H -8.08794299 -2.49804049 1.04746188
H -5.29352341 -1.97222396 4.23508616
H -7.38836169 -2.95485290 3.36866355
C 2.93478891 3.84403910 0.73946457
C 2.09663493 4.34704353 1.73208779
C 4.13875305 4.47605256 0.45998761
C 2.46184227 5.47671390 2.43657478
H 1.16043752 3.84156825 1.93198366
C 4.49903642 5.60920235 1.17041441
H 4.79032883 4.08614179 -0.31062288
C 3.66441681 6.10898142 2.15546845
H 1.81140625 5.86845079 3.20447247
H 5.43491880 6.10302720 0.95240038
H 3.95049611 6.99342317 2.70529027
C 3.61772435 2.03189496 -1.36111570
C 4.67509560 1.17899259 -1.07319215
C 3.57386744 2.69548215 -2.58262133
C 5.68361857 0.99034579 -2.00084273
H 4.69986615 0.67240513 -0.11966652
C 4.58953588 2.51057872 -3.50174956
H 2.73877986 3.34232933 -2.81015660
C 5.64466301 1.65950101 -3.21249088
H 6.50305035 0.32202995 -1.77811978
H 4.55855541 3.02842385 -4.44936735
H 6.43462226 1.51493847 -3.93481041
C 3.21249842 -2.66275915 1.37008015
C 3.03316497 -3.33093322 2.57675331
C 4.38936374 -1.96589069 1.13099547
C 4.03256643 -3.30502126 3.53108637
H 2.10751816 -3.85576794 2.76500096
C 5.38183706 -1.93519050 2.09399455
H 4.51759099 -1.45544400 0.18790714
C 5.20676892 -2.60840500 3.29133363
H 3.89635309 -3.82672751 4.46726980
H 6.29512233 -1.38772727 1.91005178
H 5.98396875 -2.58765513 4.04111575
C 2.34501276 -4.34215215 -0.76824401
C 3.43016299 -5.14691920 -0.44856332
C 1.48711580 -4.70748493 -1.80323259
C 3.65229096 -6.31353187 -1.16135562
H 4.09747258 -4.86436670 0.35464227
C 1.71431733 -5.87140880 -2.51010617
H 0.64511652 -4.06784376 -2.03518714
C 2.79835288 -6.67566018 -2.18914075
H 4.49577221 -6.94100464 -0.91217993
H 1.04880108 -6.15574249 -3.31161242
H 2.97690947 -7.58635903 -2.74152637
130
conf 139  E=-192.86283080 Eh  dE=1.319 kcal/mol  pop=0.14%
Ir 0.18692506 -0.32270488 -0.10834228
C -0.76476520 0.87081390 1.32591820
C -0.09357601 1.24695130 2.51363226
C -2.09244266 1.34314881 1.28421684
C -0.67260289 1.97225708 3.53317133
H 0.91717832 0.89295145 2.66867328
C -2.68847067 2.11630892 2.29021849
C -1.97626206 2.43994003 3.42074811
H -0.10957432 2.17932491 4.43397990
H -2.42939740 3.01985854 4.21237264
C -1.56139635 -1.27637895 -0.78317001
C -2.86615242 -0.75315632 -0.77848821
C -1.50257272 -2.56165256 -1.36175805
C -3.98702799 -1.40896489 -1.30869507
C -2.58120091 -3.22503393 -1.90358512
H -0.54340773 -3.06325741 -1.40344807
C -3.84568198 -2.64634686 -1.88927436
H -2.44642305 -4.20457040 -2.34552192
H -4.69760232 -3.15979095 -2.31253703
C 0.16148315 -1.91753026 1.33084598
C -0.74588567 -1.84553680 2.41499465
C 0.83980361 -3.15177772 1.31341968
C -0.90374362 -2.81387363 3.38201790
H -1.37119786 -0.97125540 2.51569097
C 0.67731940 -4.16959429 2.26670596
C -0.17873584 -3.99688570 3.32545615
H -1.61090218 -2.65656306 4.18697157
H -0.30162898 -4.76754744 4.07346619
C 1.32330104 -1.35685298 -1.59943726
C 1.86660760 -2.65606762 -1.53344716
C 1.57973276 -0.75366953 -2.85119489
C 2.47201917 -3.32877633 -2.60549559
C 2.18875817 -1.38207192 -3.91771597
H 1.27664027 0.27204614 -3.00307984
C 2.61584267 -2.70011323 -3.81857219
H 2.32674997 -0.84609218 -4.84822285
H 3.06178841 -3.21112008 -4.66044371
C -0.21457573 1.27197734 -1.41271787
C -0.99516350 1.10202468 -2.58133593
C 0.10791143 2.62612846 -1.17983198
C -1.40646306 2.13510116 -3.39676836
H -1.24831022 0.09620278 -2.89003886
C -0.33856164 3.69662849 -1.96734013
C -1.11042952 3.45575125 -3.07826987
H -1.96591555 1.91947993 -4.29805266
H -1.45578507 4.26933375 -3.70048129
C 2.04236291 0.43503417 0.47518022
C 2.46747091 1.77713988 0.48649560
C 3.05691181 -0.45483716 0.87484807
C 3.75982833 2.19169323 0.83580526
C 4.33249589 -0.08060053 1.23229960
H 2.81415153 -1.51319529 0.91668355
C 4.70113912 1.26083062 1.20803952
H 5.05479208 -0.83046791 1.53042509
H 5.70304544 1.56567114 1.47565536
H -3.72228088 2.43217121 2.19223287
H -4.96726728 -0.94753211 -1.24990385
H 1.20351689 -5.11117342 2.15344997
H 2.81992413 -4.34856425 -2.47527083
H -0.05418475 4.71283378 -1.71303992
H 4.02203377 3.24397095 0.80131322
P -3.23475932 0.81011851 0.00895550
P 1.33407097 3.08510964 0.04302991
P 1.94266968 -3.61264871 -0.01998738
C -3.68923892 2.14156170 -1.14260518
C -3.54643386 3.46605626 -0.74912374
C -4.25071596 1.84272438 -2.37912361
C -3.96666246 4.48558745 -1.58410631
H -3.11175546 3.68740837 0.21483728
C -4.67929202 2.86549089 -3.20490894
H -4.33844282 0.81265405 -2.69284488
C -4.53952808 4.18618104 -2.80884737
H -3.85125896 5.51550778 -1.27802639
H -5.12082189 2.63368174 -4.16329445
H -4.87385594 4.98248069 -3.45764806
C -4.78978004 0.47073181 0.89093813
C -4.75166423 -0.59167131 1.79130263
C -5.97029192 1.17557213 0.69936213
C -5.88808910 -0.94784552 2.48930427
H -3.82405538 -1.13385317 1.92280425
C -7.10737835 0.81322520 1.40269636
H -6.00323789 2.00009707 -0.00019456
C -7.06874620 -0.24603267 2.29323617
H -5.85889498 -1.77510262 3.18290611
H -8.02751822 1.35840693 1.24993379
H -7.96015359 -0.52790770 2.83391579
C 0.68667026 3.98135209 1.48556246
C -0.54103610 4.62510878 1.41480182
C 1.47113789 4.09824909 2.62850747
C -0.98820779 5.37477154 2.48807303
H -1.13371353 4.53185470 0.51659648
C 1.02221884 4.85480791 3.69401990
H 2.42044915 3.58381181 2.67910346
C -0.20675641 5.49285218 3.62526695
H -1.94669772 5.87119335 2.43802242
H 1.62931561 4.94681473 4.58298450
H -0.55630033 6.07993334 4.46181332
C 2.34515785 4.35374895 -0.78157585
C 3.01613652 3.94974558 -1.93365028
C 2.45431023 5.66686576 -0.34149940
C 3.79123586 4.85175379 -2.63535325
H 2.91883727 2.92267525 -2.26159687
C 3.23277943 6.56718764 -1.04976578
H 1.93438516 5.98600120 0.55149943
C 3.89956296 6.16288330 -2.19367037
H 4.31158100 4.53770486 -3.52799994
H 3.31688316 7.58826803 -0.70602966
H 4.50446548 6.86978650 -2.74228608
C 3.69884400 -3.72750708 0.48512268
C 4.70130958 -3.20002900 -0.32323459
C 4.04239936 -4.34074280 1.68638347
C 6.02768526 -3.31345908 0.05185603
H 4.43945136 -2.69293882 -1.24040444
C 5.37004059 -4.44619989 2.05895833
H 3.27314633 -4.72944070 2.33631868
C 6.36627355 -3.94126075 1.23927867
H 6.79937261 -2.90563372 -0.58461340
H 5.62805661 -4.92459584 2.99261225
H 7.40277096 -4.02995540 1.52987876
C 1.51670387 -5.34460409 -0.39642974
C 0.16911794 -5.69395853 -0.43603529
C 2.48469801 -6.31086569 -0.64658562
C -0.20252969 -6.99372754 -0.72057954
H -0.58105593 -4.94523169 -0.22418726
C 2.10617113 -7.61190435 -0.92941541
H 3.53413708 -6.04944794 -0.60878817
C 0.76510558 -7.95533136 -0.96660079
H -1.24931296 -7.25943573 -0.74344276
H 2.86176536 -8.36103122 -1.11667016
H 0.47433540 -8.97299411 -1.18154610
130
conf 140  E=-192.86279092 Eh  dE=1.344 kcal/mol  pop=0.13%
Ir 0.20463829 0.29774117 -0.01248197
C -1.33770989 1.43004956 0.84071150
C -1.07414343 2.72388582 1.33189110
C -2.68032846 1.05142546 1.01279980
C -2.00253611 3.52693885 1.95475857
H -0.07225948 3.12051910 1.20629037
C -3.65424474 1.85171222 1.62702756
C -3.31342789 3.08995183 2.11676821
H -1.71717581 4.50776221 2.31427916
H -4.05105436 3.71426596 2.60113997
C -1.04489097 -0.80337400 -1.28120071
C -2.37749862 -1.18227243 -1.02033412
C -0.58252095 -1.28068651 -2.53106521
C -3.15839235 -1.97062144 -1.87706866
C -1.34392459 -2.02805183 -3.40439999
H 0.40982365 -0.99641792 -2.85562093
C -2.63929700 -2.40723759 -3.07273763
H -0.93352174 -2.32179559 -4.36198224
H -3.23339434 -3.00609720 -3.74855215
C -0.17812295 -1.23533192 1.36149172
C -0.76376542 -0.96757059 2.62213407
C 0.01481271 -2.61487597 1.14170335
C -1.11348171 -1.93860514 3.53608636
H -0.89709292 0.06459661 2.91836860
C -0.37059062 -3.62137132 2.03864430
C -0.94921013 -3.28685494 3.23937969
H -1.51761477 -1.65240115 4.49859935
H -1.24233609 -4.05127391 3.94508348
C 1.87518658 -0.64113322 -0.84118344
C 2.13944037 -2.01967133 -0.92668608
C 2.91347250 0.14197446 -1.38027967
C 3.29674870 -2.56652140 -1.49869400
C 4.05388692 -0.36236939 -1.96241148
H 2.80805597 1.22008219 -1.32985553
C 4.25526568 -1.73749094 -2.03174997
H 4.80173048 0.31160753 -2.36185177
H 5.14965552 -2.14529456 -2.48143096
C 0.12934978 1.93844402 -1.38877563
C -0.87769640 1.95971559 -2.38386613
C 0.77209414 3.18910438 -1.28769063
C -1.21515531 3.05773809 -3.14512595
H -1.43836345 1.05647535 -2.57496217
C 0.44603371 4.32560917 -2.04126436
C -0.55931205 4.27018107 -2.97428786
H -2.00575395 2.97658856 -3.88095426
H -0.82661123 5.14020949 -3.55751604
C 1.71813849 1.11066614 1.26655125
C 2.49995990 2.26875098 1.08014967
C 2.17395475 0.35308967 2.37106753
C 3.57633143 2.64748474 1.89484880
C 3.23699926 0.69357232 3.17951050
H 1.66351582 -0.56717478 2.61440066
C 3.95438577 1.86110606 2.95437869
H 3.51323662 0.04685294 4.00293577
H 4.78062028 2.14455763 3.59124443
H -4.67845704 1.50185771 1.70353689
H -4.18240568 -2.21239714 -1.61049463
H -0.18683330 -4.66346937 1.79702153
H 3.44370495 -3.64150730 -1.50819706
H 0.98519779 5.25200126 -1.88505689
H 4.10117044 3.57522871 1.70219834
P -3.28519966 -0.50350154 0.36873884
P 2.19387141 3.45692453 -0.23055554
P 1.00047320 -3.20937230 -0.23224342
C -4.91631916 -0.08356375 -0.31843777
C -6.11058792 -0.66107185 0.09074552
C -4.91879698 0.89214308 -1.31282998
C -7.30162684 -0.25961194 -0.49138010
H -6.11090762 -1.41846899 0.86316562
C -6.10924102 1.28714840 -1.88961562
H -3.97789259 1.33409859 -1.61487145
C -7.30263543 0.71159047 -1.47785734
H -8.23155865 -0.70640281 -0.17060560
H -6.11178988 2.04551489 -2.65842221
H -8.23467350 1.02245216 -1.92624465
C -3.67779813 -1.73356235 1.64823469
C -4.05745397 -1.32041622 2.92084897
C -3.67538909 -3.08530588 1.33026960
C -4.44341438 -2.25736726 3.86082193
H -4.03618712 -0.26931403 3.17004316
C -4.05288477 -4.01931755 2.27828408
H -3.38153169 -3.39386117 0.33773912
C -4.44293349 -3.60612260 3.54103735
H -4.74261073 -1.93743113 4.84833505
H -4.04539072 -5.07147091 2.03179151
H -4.74292498 -4.33544410 4.27912465
C 2.09214767 5.09619922 0.56281787
C 1.57686311 5.19952997 1.85131094
C 2.48905721 6.25061572 -0.10701154
C 1.44481608 6.43798013 2.45178737
H 1.29427392 4.30500329 2.38817696
C 2.35438762 7.48730740 0.49772127
H 2.91892038 6.18401835 -1.09781611
C 1.82696420 7.58447842 1.77471337
H 1.04462283 6.50831066 3.45260166
H 2.66418197 8.37780389 -0.02981954
H 1.72175995 8.55177240 2.24336648
C 3.63059239 3.65452617 -1.34777546
C 4.82219563 4.22733366 -0.91369345
C 3.52902068 3.21487798 -2.66505775
C 5.89842791 4.33602475 -1.77565903
H 4.91132925 4.60702134 0.09391419
C 4.60670192 3.32730836 -3.52375429
H 2.60031208 2.78664522 -3.01577399
C 5.79611866 3.88130930 -3.07979653
H 6.81965470 4.78030753 -1.42770426
H 4.51678555 2.98060424 -4.54274690
H 6.63928002 3.96541380 -3.74950597
C 2.06975409 -4.47905691 0.51176223
C 2.94415489 -4.02936044 1.49857528
C 2.04542020 -5.82349562 0.16625576
C 3.78786426 -4.91962575 2.13221334
H 2.95019217 -2.97693208 1.75201991
C 2.89486116 -6.71155812 0.80518799
H 1.36713348 -6.17499621 -0.59965040
C 3.76335512 -6.26278761 1.78547309
H 4.46630244 -4.57071369 2.89654078
H 2.87713380 -7.75762248 0.53551434
H 4.42301476 -6.96011502 2.28042902
C 0.06064357 -4.13756164 -1.48094051
C -1.17636071 -4.67942405 -1.15879676
C 0.61461426 -4.36706386 -2.73609304
C -1.85781160 -5.44518911 -2.08773723
H -1.59315615 -4.49764440 -0.17915063
C -0.06680486 -5.14046156 -3.65666420
H 1.56894553 -3.92713760 -2.98790381
C -1.30223147 -5.68012866 -3.33415525
H -2.82316485 -5.86211419 -1.83909345
H 0.36342608 -5.32160612 -4.63099779
H -1.83351717 -6.28098565 -4.05758734
130
conf 141  E=-192.86276798 Eh  dE=1.358 kcal/mol  pop=0.13%
Ir -0.35117415 0.02661869 -0.05033154
C -1.69142786 1.01077781 1.30119345
C -1.15683665 1.80487225 2.34463900
C -3.07020311 1.25251612 1.13199441
C -1.86958939 2.72553337 3.08184786
H -0.11171259 1.69715782 2.59615510
C -3.82028914 2.18698251 1.85993169
C -3.21978881 2.94186751 2.83672959
H -1.36991892 3.29332082 3.85721966
H -3.78166986 3.67480202 3.39848130
C -1.84000273 -0.62895973 -1.44410322
C -3.24306270 -0.59845918 -1.30894113
C -1.44743323 -1.36987208 -2.58358664
C -4.14577009 -1.20323586 -2.19488511
C -2.31167053 -1.98800628 -3.46152106
H -0.39364433 -1.47197448 -2.79750617
C -3.68603147 -1.90712332 -3.27995284
H -1.91559654 -2.53781942 -4.30619161
H -4.37262424 -2.37682088 -3.97034265
C -0.63627854 -1.91795225 0.65476743
C -1.90598738 -2.30297940 1.12462401
C 0.29975478 -2.96609342 0.71076876
C -2.21638699 -3.55202786 1.61179111
H -2.69611408 -1.56093543 1.09888995
C 0.01415238 -4.25323556 1.18743858
C -1.24647609 -4.54912253 1.64975704
H -3.21967532 -3.76326929 1.96097527
H -1.47978493 -5.53629062 2.02323376
C 1.17904378 -0.50222587 -1.38052731
C 2.15456550 -1.49940381 -1.17499853
C 1.38468079 0.21036278 -2.58648987
C 3.23830103 -1.73709164 -2.03229561
C 2.42220542 -0.02989838 -3.46197315
H 0.65558695 0.95606860 -2.87472673
C 3.38475038 -0.99175126 -3.17756351
H 2.48952192 0.53206711 -4.38466846
H 4.21047893 -1.16901558 -3.85212704
C -0.28861529 1.98458741 -0.79317701
C -1.44866276 2.57472567 -1.33329828
C 0.82397137 2.84256134 -0.83656637
C -1.49826340 3.83559221 -1.88353106
H -2.36889219 2.00089634 -1.31110546
C 0.80209468 4.13755584 -1.37399006
C -0.35971470 4.63458491 -1.91470243
H -2.42845504 4.21460102 -2.28817498
H -0.39001836 5.62781658 -2.34020775
C 1.19885045 0.28803551 1.33019600
C 2.31617934 1.13481600 1.18439971
C 1.22617253 -0.43835471 2.54463358
C 3.36505619 1.22767516 2.10982839
C 2.22984784 -0.33757517 3.48439330
H 0.38321343 -1.07294323 2.78438558
C 3.33224037 0.47933561 3.26241904
H 2.16054185 -0.89622560 4.40895565
H 4.12916168 0.54749203 3.98947783
H -4.87462850 2.31849962 1.64787872
H -5.21244779 -1.09743310 -2.03777246
H 0.78242157 -5.01940461 1.17888289
H 3.94633580 -2.52803894 -1.80616249
H 1.69571924 4.75261991 -1.35039631
H 4.18904246 1.91102264 1.93087530
P -4.07772616 0.27876355 0.01682562
P 2.39174450 2.35579386 -0.12591992
P 1.96787225 -2.72875022 0.11542528
C -5.33177737 1.33829903 -0.77559752
C -5.06064840 1.89483224 -2.02175118
C -6.53728130 1.63211201 -0.14405521
C -5.97629423 2.73980845 -2.62102339
H -4.13636859 1.65091743 -2.52637734
C -7.45011725 2.47810469 -0.74776941
H -6.76940050 1.18963460 0.81581168
C -7.17019842 3.03655740 -1.98402213
H -5.75893635 3.16620524 -3.58934770
H -8.38354879 2.70081814 -0.25141045
H -7.88494133 3.69710905 -2.45215121
C -5.09964299 -0.81420920 1.07273710
C -6.21497927 -1.48058235 0.57489704
C -4.74701166 -0.98426849 2.40915497
C -6.95138456 -2.31614692 1.39530671
H -6.52313819 -1.34019458 -0.45086116
C -5.48749563 -1.81814451 3.22612108
H -3.88883478 -0.45981903 2.80601757
C -6.58777196 -2.49078716 2.72025713
H -7.81408346 -2.83122106 0.99836260
H -5.20329715 -1.94343499 4.26061362
H -7.16413379 -3.14534939 3.35736641
C 2.98563372 3.86218541 0.70271009
C 2.13484994 4.39450410 1.66886641
C 4.20152694 4.47590603 0.43383183
C 2.49919657 5.53437949 2.35728917
H 1.18915961 3.90414603 1.86123240
C 4.56087176 5.61948898 1.12775387
H 4.86331351 4.06391551 -0.31627206
C 3.71352729 6.14824968 2.08641331
H 1.83858053 5.94877595 3.10433250
H 5.50597941 6.09880926 0.91725758
H 3.99849883 7.04106272 2.62314549
C 3.68666842 2.01457091 -1.35553644
C 4.74266876 1.17320538 -1.03083818
C 3.66143469 2.65087087 -2.59192947
C 5.76973019 0.97179971 -1.93536085
H 4.75278793 0.68593505 -0.06696909
C 4.69483884 2.45267586 -3.48825800
H 2.82660638 3.28666876 -2.84921749
C 5.74993536 1.61545665 -3.16117129
H 6.58905055 0.31388880 -1.68315143
H 4.67774681 2.94948587 -4.44739845
H 6.55476220 1.46159217 -3.86492876
C 3.20034336 -2.60447280 1.44552367
C 4.39794781 -1.93834730 1.22273385
C 2.97531036 -3.24331306 2.66022539
C 5.36623312 -1.91022140 2.21028127
H 4.56207905 -1.45031906 0.27326259
C 3.94997765 -3.21894164 3.63983455
H 2.03330032 -3.74347546 2.83402886
C 5.14544542 -2.55408586 3.41618840
H 6.29653266 -1.38805194 2.03880934
H 3.77758042 -3.71663390 4.58308486
H 5.90381517 -2.53486538 4.18506382
C 2.39493731 -4.29663880 -0.70118253
C 1.57383458 -4.66824060 -1.76345653
C 3.46876229 -5.09906178 -0.33995646
C 1.82700144 -5.83475587 -2.45703444
H 0.73995558 -4.03045208 -2.02755734
C 3.71716726 -6.26835426 -1.03958291
H 4.10745968 -4.81258085 0.48475628
C 2.90049255 -6.63586256 -2.09531797
H 1.19032675 -6.12320252 -3.28020999
H 4.55222302 -6.89347147 -0.75819872
H 3.09999506 -7.54819596 -2.63772777
130
conf 142  E=-192.86275678 Eh  dE=1.365 kcal/mol  pop=0.13%
Ir 0.19836706 0.30175627 -0.07415462
C -1.30354987 1.56368038 0.63981305
C -0.96565853 2.85524690 1.08641091
C -2.68469905 1.31028515 0.71687908
C -1.86505852 3.77673792 1.57187887
H 0.07829274 3.14414743 1.04288197
C -3.62954222 2.23093530 1.19135144
C -3.22060418 3.46796594 1.63070857
H -1.51931548 4.74826453 1.90311520
H -3.93766011 4.18641723 2.00232055
C -1.06636414 -0.75008112 -1.37061964
C -2.41967796 -1.06791897 -1.13497375
C -0.58348593 -1.31419517 -2.57579928
C -3.19638102 -1.89183248 -1.96182430
C -1.33875978 -2.09817436 -3.42170597
H 0.42503142 -1.07695166 -2.88770762
C -2.65269761 -2.42470111 -3.10594628
H -0.90868893 -2.46274569 -4.34574265
H -3.24061188 -3.05654415 -3.75667468
C -0.35725983 -1.14566756 1.33311322
C -0.98823193 -0.78011345 2.54639909
C -0.19662020 -2.54043225 1.20983721
C -1.40173089 -1.67958185 3.50602649
H -1.10652033 0.27207846 2.76916149
C -0.63764907 -3.47506786 2.15701340
C -1.25530125 -3.04742267 3.30823334
H -1.84226333 -1.32036129 4.42721046
H -1.59154008 -3.75594417 4.05206565
C 1.83154982 -0.76977787 -0.83512042
C 2.00016413 -2.16496335 -0.85675756
C 2.91999277 -0.08476481 -1.41106962
C 3.11423812 -2.81779405 -1.40358824
C 4.01888460 -0.69618356 -1.97095838
H 2.89685714 0.99988714 -1.41068836
C 4.12454788 -2.08338094 -1.97725248
H 4.81145868 -0.09757109 -2.40243036
H 4.98611148 -2.57256414 -2.40955687
C 0.38022213 1.89761361 -1.48803454
C -0.49320147 1.94261574 -2.60001417
C 1.14756514 3.07594206 -1.38758800
C -0.59385532 2.99535232 -3.48386466
H -1.14056513 1.09764937 -2.78474208
C 1.07842445 4.15403918 -2.28097340
C 0.20287256 4.12328159 -3.33773917
H -1.29768979 2.94102892 -4.30501968
H 0.14131782 4.94839450 -4.03343470
C 1.75827588 0.95125775 1.24378810
C 2.69477509 1.98333782 1.02856970
C 2.16571306 0.10287105 2.30172312
C 3.90497916 2.13094391 1.72021528
C 3.34402433 0.22756673 3.00550733
H 1.51886462 -0.71189965 2.59298770
C 4.24633280 1.24110595 2.70851893
H 3.57384308 -0.47800862 3.79460391
H 5.18240345 1.33272034 3.24135255
H -4.68378777 1.97438490 1.19847139
H -4.23438141 -2.08754438 -1.71210504
H -0.46609179 -4.53461872 1.99605731
H 3.18682901 -3.89962901 -1.36127819
H 1.73304113 5.00753976 -2.15230243
H 4.57656037 2.94347526 1.47054677
P -3.35510974 -0.24821007 0.15494489
P 2.37000166 3.33671027 -0.09863172
P 0.79438425 -3.25085328 -0.10420250
C -4.92706252 0.18834151 -0.64847516
C -6.16362189 -0.32064027 -0.27521198
C -4.83334418 1.07815196 -1.71623885
C -7.30032104 0.06239563 -0.96772212
H -6.23839865 -1.01200806 0.55342970
C -5.97013690 1.45603577 -2.40242378
H -3.86030908 1.46543953 -1.99016882
C -7.20546210 0.94713942 -2.02833428
H -8.26293948 -0.33280674 -0.67714993
H -5.89772391 2.14672500 -3.22939531
H -8.09534255 1.24147376 -2.56485929
C -3.86865923 -1.34791178 1.50751870
C -4.30867108 -0.80609496 2.71075935
C -3.89209791 -2.72271437 1.31503772
C -4.77517715 -1.63979891 3.70932909
H -4.26946882 0.26336679 2.86109927
C -4.35254405 -3.55254931 2.32146537
H -3.55064404 -3.12977586 0.37472042
C -4.79861227 -3.01234256 3.51592599
H -5.11916108 -1.22050198 4.64371396
H -4.36652307 -4.62294077 2.17387820
H -5.16171335 -3.66104619 4.29947946
C 1.99633087 4.79043618 0.95012452
C 1.68390668 4.59325848 2.29271203
C 2.01206098 6.08466759 0.43963070
C 1.37641798 5.67009860 3.10326298
H 1.68330388 3.59150469 2.69953984
C 1.70168990 7.15893031 1.25380847
H 2.28118450 6.26236416 -0.59138702
C 1.37866222 6.95474535 2.58498172
H 1.13350621 5.50486099 4.14263353
H 1.71468102 8.15967667 0.84705402
H 1.13486239 7.79568787 3.21737820
C 3.90791867 3.84717096 -0.93301089
C 4.80626094 4.71787229 -0.32171639
C 4.20553380 3.33117099 -2.19041661
C 5.98722845 5.05710784 -0.95678602
H 4.57698598 5.14192483 0.64709469
C 5.38688037 3.67441428 -2.82168186
H 3.50102610 2.67258531 -2.67869833
C 6.28140724 4.53402994 -2.20522321
H 6.67888646 5.73350626 -0.47580835
H 5.60911902 3.27222146 -3.79921478
H 7.20391519 4.80178928 -2.69882772
C 1.79985758 -4.51534707 0.73069701
C 2.69929248 -4.03749769 1.68121381
C 1.70905386 -5.87829236 0.48311450
C 3.50184101 -4.91945077 2.37688528
H 2.75850503 -2.97080835 1.85604229
C 2.51765924 -6.75767821 1.18413378
H 1.01152596 -6.25049077 -0.25536600
C 3.41106682 -6.28142007 2.12841693
H 4.20042119 -4.54929890 3.11252745
H 2.44891901 -7.81843426 0.99086026
H 4.03903462 -6.97212476 2.67155977
C -0.18460563 -4.20791490 -1.30032150
C -1.44045593 -4.68059574 -0.94236466
C 0.34871390 -4.52893258 -2.54394001
C -2.15783464 -5.47244354 -1.82080565
H -1.84414294 -4.42705779 0.02681162
C -0.36874101 -5.32844976 -3.41393234
H 1.31632404 -4.14062212 -2.82738845
C -1.62057461 -5.80192774 -3.05376496
H -3.13650509 -5.83632450 -1.54249783
H 0.04652665 -5.58176684 -4.37854191
H -2.17911249 -6.42472358 -3.73702061
130
conf 143  E=-192.86275041 Eh  dE=1.369 kcal/mol  pop=0.13%
Ir 0.19925286 0.32390223 -0.06357750
C -1.31446746 1.57277170 0.65108281
C -0.99512651 2.87749501 1.07205344
C -2.68881126 1.29345579 0.75621910
C -1.90433369 3.78836915 1.55947277
H 0.04178276 3.18682960 1.00545188
C -3.64363645 2.20240976 1.23322808
C -3.25213463 3.45384155 1.64693984
H -1.57241073 4.77151899 1.86986439
H -3.97682671 4.16334784 2.02088524
C -1.06699273 -0.77127699 -1.32230027
C -2.40979752 -1.11104563 -1.05884178
C -0.59391591 -1.34450314 -2.52717740
C -3.18411227 -1.96282359 -1.85932944
C -1.34809067 -2.15567172 -3.34805481
H 0.40444334 -1.09285030 -2.85993255
C -2.64973072 -2.50280958 -3.00447942
H -0.92700096 -2.52572354 -4.27405047
H -3.23605671 -3.15625957 -3.63499189
C -0.31080726 -1.10385727 1.37887463
C -0.91825660 -0.72266009 2.59927641
C -0.13498204 -2.49859715 1.27797880
C -1.29777764 -1.60841863 3.58511874
H -1.04433294 0.33216151 2.80448426
C -0.54309021 -3.42020672 2.25233993
C -1.13921578 -2.97799596 3.40931772
H -1.72007191 -1.23694991 4.50995712
H -1.44923754 -3.67624114 4.17394947
C 1.83539148 -0.73727929 -0.82926300
C 2.02094570 -2.13053214 -0.83159247
C 2.90620324 -0.04760432 -1.43210403
C 3.13428329 -2.77795437 -1.38637773
C 4.00360398 -0.65421067 -2.00008672
H 2.86947341 1.03650810 -1.44683887
C 4.12598079 -2.04004898 -1.98744195
H 4.78188869 -0.05268586 -2.45297328
H 4.98638676 -2.52532830 -2.42642643
C 0.33433084 1.90018393 -1.50515351
C -0.55181106 1.91139665 -2.60803006
C 1.07014167 3.09998557 -1.42425325
C -0.69466383 2.95534243 -3.49661033
H -1.17424530 1.04554787 -2.78115730
C 0.95541032 4.17176978 -2.32049752
C 0.06660546 4.10937298 -3.36473103
H -1.40538051 2.87422747 -4.30962824
H -0.03138683 4.92972448 -4.06193351
C 1.76821488 1.02052651 1.21972730
C 2.67893631 2.06943128 0.97808786
C 2.20961436 0.19442253 2.28180122
C 3.89349798 2.25438048 1.65312902
C 3.39295262 0.35574783 2.96939914
H 1.58698647 -0.63272980 2.59029190
C 4.26702959 1.38693192 2.64946467
H 3.64888346 -0.33440671 3.76406089
H 5.20615257 1.50852220 3.17077759
H -4.69212897 1.92468797 1.26302057
H -4.21373037 -2.17471006 -1.58893898
H -0.36239795 -4.48054237 2.10770374
H 3.22108448 -3.85808058 -1.32906691
H 1.58350723 5.04644181 -2.20214991
H 4.54252514 3.07909133 1.38454492
P -3.33869381 -0.28691137 0.23295296
P 2.31425603 3.39905015 -0.16468332
P 0.84177492 -3.21912200 -0.04148387
C -4.93263967 0.10466896 -0.55022540
C -4.87403029 0.96805286 -1.64191555
C -6.15379072 -0.41173940 -0.13826665
C -6.03015765 1.31162935 -2.31375628
H -3.91274018 1.36212944 -1.94600219
C -7.31003114 -0.06289189 -0.81629597
H -6.20121954 -1.08240173 0.70918570
C -7.24995845 0.79522097 -1.90106605
H -5.98495038 1.98154427 -3.15956100
H -8.26056809 -0.46387905 -0.49542381
H -8.15479538 1.06291411 -2.42642797
C -3.80683998 -1.36938138 1.61562909
C -3.81876854 -2.74736412 1.44601237
C -4.22324419 -0.81311953 2.82056493
C -4.24503054 -3.56582880 2.47651620
H -3.49550909 -3.16596382 0.50426388
C -4.65564179 -1.63567722 3.84350497
H -4.19280510 0.25894702 2.95299514
C -4.66822924 -3.01122611 3.67270789
H -4.25026419 -4.63850300 2.34642908
H -4.98140684 -1.20506186 4.77926394
H -5.00440636 -3.65093193 4.47544163
C 1.94709727 4.86461454 0.86912265
C 1.63867472 4.67995943 2.21447514
C 1.96440221 6.15432004 0.34727716
C 1.33562167 5.76434164 3.01654731
H 1.63896713 3.68203882 2.63059212
C 1.65918583 7.23629524 1.15330476
H 2.23201345 6.32267022 -0.68588184
C 1.33926295 7.04438584 2.48706789
H 1.09576138 5.60853690 4.05807502
H 1.67413199 8.23361185 0.73829951
H 1.09970364 7.89144428 3.11288471
C 3.82829308 3.90878328 -1.04252108
C 4.73603908 4.79433883 -0.46758860
C 4.09927320 3.37284664 -2.29767841
C 5.90055696 5.12741392 -1.13555359
H 4.52716386 5.23549035 0.49819610
C 5.26464203 3.70920493 -2.96144492
H 3.38643975 2.70348163 -2.75845701
C 6.16923275 4.58291822 -2.38053634
H 6.59961813 5.81554593 -0.68272873
H 5.46661279 3.29028859 -3.93634381
H 7.07967541 4.84489817 -2.89905337
C 1.87726375 -4.45658055 0.79764256
C 1.79319642 -5.82521540 0.58095723
C 2.79241664 -3.95137497 1.71853260
C 2.62413434 -6.68283851 1.28277991
H 1.08354239 -6.21909361 -0.13433472
C 3.61749690 -4.81168330 2.41494188
H 2.84598406 -2.88082109 1.86986221
C 3.53345443 -6.17930544 2.19720509
H 2.56030384 -7.74797787 1.11344168
H 4.32841336 -4.42013738 3.12733421
H 4.17897176 -6.85304526 2.74105082
C -0.14054373 -4.21177645 -1.20548944
C 0.37604203 -4.53829844 -2.45460201
C -1.37767978 -4.70821202 -0.81627232
C -0.33877055 -5.36698852 -3.29901894
H 1.32817460 -4.13054424 -2.76240927
C -2.09256369 -5.52992740 -1.66911871
H -1.76846901 -4.45065179 0.15726302
C -1.57153982 -5.86471566 -2.90751073
H 0.06349211 -5.62380073 -4.26823028
H -3.05634702 -5.91349348 -1.36624921
H -2.12776456 -6.51095790 -3.57060518
130
conf 144  E=-192.86254299 Eh  dE=1.499 kcal/mol  pop=0.10%
Ir 0.12930537 -0.36052620 -0.08380916
C -0.78077643 0.88757015 1.32760675
C -0.09012840 1.27818180 2.49942863
C -2.09793870 1.38858256 1.28501180
C -0.64349842 2.04169563 3.50520583
H 0.91369780 0.90490525 2.65446194
C -2.66599635 2.20265798 2.27483421
C -1.93647264 2.53780051 3.39087357
H -0.06844948 2.25755991 4.39631263
H -2.36868067 3.14880768 4.17071172
C -1.64623972 -1.30531267 -0.70025166
C -2.94026965 -0.75595951 -0.69773577
C -1.62145747 -2.61094776 -1.23371389
C -4.08082665 -1.40664390 -1.19091004
C -2.71944326 -3.26957919 -1.74132035
H -0.67400085 -3.13440389 -1.26665217
C -3.97165385 -2.66484407 -1.73239170
H -2.60990051 -4.26610472 -2.15110953
H -4.83870391 -3.17426166 -2.12892105
C 0.10554273 -1.90984151 1.40611219
C -0.77931061 -1.79506252 2.50500748
C 0.77639307 -3.14803246 1.41936145
C -0.91956110 -2.72750414 3.50953280
H -1.39982090 -0.91526909 2.58647654
C 0.63594594 -4.12891460 2.41471934
C -0.19629392 -3.91297052 3.48453288
H -1.60955408 -2.53874443 4.32253893
H -0.30230635 -4.65221578 4.26613729
C 1.21545571 -1.46798482 -1.56592956
C 1.72309979 -2.78050646 -1.47167766
C 1.43901171 -0.92002931 -2.84829523
C 2.24718971 -3.51732885 -2.54409541
C 1.98028244 -1.60840104 -3.91476295
H 1.16482499 0.10959657 -3.02612818
C 2.35742517 -2.93862958 -3.78587341
H 2.09745826 -1.11156836 -4.86952410
H 2.73967501 -3.49852603 -4.62807712
C -0.26295765 1.20751996 -1.42338621
C -1.05940108 1.02062744 -2.57848282
C 0.08552981 2.56173400 -1.22979805
C -1.45676755 2.03802832 -3.42034658
H -1.33787920 0.01192840 -2.85447826
C -0.34791811 3.61802009 -2.04336507
C -1.13162452 3.36086969 -3.14237681
H -2.02843969 1.80813219 -4.31033926
H -1.46502171 4.16318193 -3.78541193
C 2.00500747 0.38715672 0.44381187
C 2.44563155 1.72416737 0.43505654
C 3.01817390 -0.50987177 0.82809467
C 3.74800095 2.12673999 0.76062515
C 4.30426850 -0.14917589 1.15966378
H 2.76408074 -1.56451897 0.87547113
C 4.68529925 1.18863578 1.12451369
H 5.02415425 -0.90610257 1.44513857
H 5.69439366 1.48451345 1.37457294
H -3.69254315 2.54132976 2.17687828
H -5.05115810 -0.92441774 -1.13446708
H 1.16707782 -5.07130566 2.32760056
H 2.54822163 -4.54965852 -2.39480098
H -0.04370543 4.63553903 -1.81889228
H 4.02111804 3.17565641 0.71356596
P -3.26767124 0.83943827 0.04152509
P 1.32493562 3.03650707 -0.02605633
P 1.84510653 -3.66539208 0.08185241
C -3.71781409 2.13586545 -1.15108370
C -3.55670949 3.47178174 -0.80693747
C -4.29261358 1.79922305 -2.37173163
C -3.97150562 4.46521470 -1.67556619
H -3.11193607 3.72306771 0.14489394
C -4.71595280 2.79614565 -3.23084281
H -4.39407940 0.75955549 -2.64714611
C -4.55735635 4.12856945 -2.88426268
H -3.84137838 5.50405332 -1.40816047
H -5.16756015 2.53480083 -4.17678973
H -4.88705866 4.90471473 -3.55924396
C -4.81410006 0.55642371 0.95779920
C -4.77171215 -0.46042584 1.90907956
C -5.99358803 1.25586228 0.74227378
C -5.90220992 -0.77526423 2.63591790
H -3.84556076 -1.00047796 2.05796299
C -7.12504680 0.93433462 1.47390369
H -6.02980167 2.04437382 0.00247401
C -7.08160420 -0.07840231 2.41675405
H -5.86921185 -1.56668839 3.36994787
H -8.04460932 1.47501440 1.30286146
H -7.96845196 -0.32794898 2.98029025
C 0.70090342 3.97926972 1.39695735
C -0.51618914 4.64149551 1.31772354
C 1.49683997 4.11484209 2.53000474
C -0.94145208 5.42905138 2.37279997
H -1.11766795 4.53323454 0.42706438
C 1.07016637 4.90925689 3.57683883
H 2.43763210 3.58571892 2.58757561
C -0.14828599 5.56638273 3.49954385
H -1.89188837 5.93997148 2.31627080
H 1.68646740 5.01634769 4.45773831
H -0.48034703 6.18341923 4.32153782
C 2.34982557 4.27078651 -0.88555632
C 2.99780031 3.83505090 -2.03912885
C 2.49818068 5.58579177 -0.46377525
C 3.78788273 4.70768249 -2.76083792
H 2.87119090 2.80686939 -2.35247981
C 3.29233667 6.45624281 -1.19144388
H 1.99683275 5.92996602 0.43045512
C 3.93580286 6.02042455 -2.33704446
H 4.29029276 4.36896767 -3.65472337
H 3.40749145 7.47840971 -0.86089404
H 4.55330473 6.70395332 -2.90081922
C 3.60774568 -3.74670110 0.57065122
C 4.61189572 -3.51682935 -0.36470592
C 3.95168484 -4.02703944 1.88967115
C 5.94079462 -3.60128659 0.00928083
H 4.35139343 -3.25943705 -1.38104586
C 5.28228093 -4.10712572 2.25785655
H 3.17867413 -4.16327474 2.63148085
C 6.27953253 -3.90434567 1.31770078
H 6.71449909 -3.42463570 -0.72361250
H 5.54195993 -4.32487447 3.28361484
H 7.31807878 -3.97013688 1.60703065
C 1.41925528 -5.41545174 -0.19950626
C 2.38592626 -6.40134864 -0.36032523
C 0.07044121 -5.76048723 -0.23341482
C 2.00452549 -7.71847942 -0.55055161
H 3.43568118 -6.14116564 -0.32581261
C -0.30392331 -7.07622340 -0.42556767
H -0.67813868 -4.99443033 -0.08841171
C 0.66238522 -8.05775853 -0.58255851
H 2.75878508 -8.48298193 -0.66773993
H -1.35145852 -7.33903109 -0.44411498
H 0.36915405 -9.08763061 -0.72335518
130
conf 145  E=-192.86252900 Eh  dE=1.508 kcal/mol  pop=0.10%
Ir -0.36797857 0.06263988 -0.09288621
C -1.65354095 0.96525939 1.37378037
C -1.07811296 1.73666684 2.41176387
C -3.06023209 1.01238583 1.42378078
C -1.78481762 2.38401544 3.40162145
H -0.00376547 1.83671748 2.45411750
C -3.80902104 1.68237961 2.40504109
C -3.17333347 2.35168624 3.42080122
H -1.25206196 2.93294347 4.16811602
H -3.73610837 2.85748101 4.19287928
C -1.90986180 -0.38856662 -1.51534276
C -3.29382760 -0.13969583 -1.40467743
C -1.58441691 -0.93538016 -2.77618104
C -4.21778595 -0.26369805 -2.45288290
C -2.47596269 -1.10046101 -3.81642326
H -0.56596117 -1.24564887 -2.95867664
C -3.80586672 -0.72489447 -3.68038176
H -2.13188148 -1.51176039 -4.75694375
H -4.50018936 -0.80668001 -4.50508671
C -0.67413111 -1.89353484 0.56782028
C -1.95424306 -2.27945869 1.00462706
C 0.25160907 -2.95292484 0.61547890
C -2.29143716 -3.54181298 1.43683251
H -2.73246218 -1.52240590 1.00933162
C -0.05759202 -4.25113880 1.04381228
C -1.33388464 -4.55117298 1.45851904
H -3.30380950 -3.75371061 1.75759872
H -1.58674440 -5.54853934 1.78968289
C 1.14605654 -0.49151190 -1.43619220
C 2.13383861 -1.47303012 -1.20470557
C 1.36167484 0.20881325 -2.64726241
C 3.23816678 -1.70069766 -2.03802839
C 2.41259227 -0.03234320 -3.50684265
H 0.63258079 0.94860713 -2.95107504
C 3.38738598 -0.97296840 -3.19394088
H 2.48279730 0.51464924 -4.43828663
H 4.22709990 -1.14468709 -3.85251800
C -0.27937160 2.02913480 -0.83298343
C -1.42565366 2.65061546 -1.37105708
C 0.85979117 2.84872820 -0.91712904
C -1.43668319 3.89623691 -1.95868195
H -2.36461887 2.11197420 -1.33905346
C 0.87839888 4.12660939 -1.49520596
C -0.27102235 4.65066565 -2.03597297
H -2.35859786 4.29395444 -2.36469524
H -0.27034040 5.62814720 -2.49752963
C 1.20286457 0.29029933 1.27028361
C 2.31222102 1.15116547 1.14170740
C 1.20812791 -0.42125624 2.49341654
C 3.32745098 1.27984278 2.09977922
C 2.17316735 -0.27806187 3.46755160
H 0.37275815 -1.07287030 2.71383776
C 3.26445635 0.55891441 3.26869222
H 2.08203682 -0.81986577 4.40002922
H 4.03069985 0.66264958 4.02395480
H -4.89285446 1.69198462 2.34856610
H -5.25335044 0.02273424 -2.29755221
H 0.70532293 -5.02250848 1.03688200
H 3.96096434 -2.46921835 -1.78282925
H 1.79501347 4.70710134 -1.50559768
H 4.14625682 1.97287659 1.93448971
P -4.08156741 0.28780507 0.14696380
P 2.41516370 2.35040280 -0.18781060
P 1.93925865 -2.69687934 0.08969741
C -5.37507101 1.53221405 -0.17165134
C -4.98369734 2.86360675 -0.28810616
C -6.71961952 1.19781759 -0.28490088
C -5.92776446 3.84620578 -0.51521544
H -3.93986321 3.12245024 -0.17987360
C -7.66119946 2.18720215 -0.51037503
H -7.03102022 0.16618161 -0.18668447
C -7.26818369 3.51004791 -0.62512565
H -5.61942797 4.87810712 -0.59811703
H -8.70590071 1.92411543 -0.59112514
H -8.00668744 4.27984189 -0.79378751
C -5.04114809 -1.15815061 0.73121770
C -5.40821267 -1.25606133 2.07009239
C -5.39826282 -2.17190655 -0.15244445
C -6.14998181 -2.33765709 2.50883605
H -5.09637354 -0.49646703 2.77178220
C -6.14286463 -3.24945236 0.29193380
H -5.08197745 -2.12232097 -1.18425832
C -6.52763380 -3.33122716 1.62000185
H -6.43109103 -2.40747156 3.54964333
H -6.41935460 -4.03023131 -0.40156915
H -7.10998438 -4.17322944 1.96429441
C 3.00100935 3.87657322 0.61230584
C 2.13555537 4.43621428 1.54954347
C 4.20703280 4.50042393 0.32324967
C 2.47400336 5.61230912 2.18821787
H 1.19610891 3.94033273 1.75716959
C 4.54069346 5.68074067 0.96687393
H 4.88039466 4.06937384 -0.40549550
C 3.67742235 6.23716317 1.89512366
H 1.79987085 6.04775384 2.91084751
H 5.47699818 6.16886812 0.73822386
H 3.94048669 7.16068880 2.38935336
C 3.72441485 1.98748444 -1.39635398
C 4.79918097 1.18946261 -1.02595221
C 3.69570983 2.56876357 -2.65919241
C 5.84132891 0.97776606 -1.91060863
H 4.81338819 0.74491804 -0.04145749
C 4.74521694 2.36277399 -3.53519414
H 2.84695095 3.16886338 -2.95338549
C 5.81863690 1.56943218 -3.16243872
H 6.67511655 0.35373436 -1.62244540
H 4.72551739 2.81836083 -4.51454896
H 6.63595214 1.40933441 -3.85024712
C 3.10789791 -2.55597422 1.47480351
C 4.30456444 -1.87170718 1.31314955
C 2.84027239 -3.22157303 2.66676209
C 5.22798188 -1.84641135 2.34318894
H 4.50080101 -1.36716882 0.37837701
C 3.76982211 -3.19884188 3.68881529
H 1.89996235 -3.74034588 2.78903962
C 4.96366195 -2.51237399 3.52818353
H 6.15776056 -1.30943552 2.22166768
H 3.56419355 -3.71507199 4.61538815
H 5.68658368 -2.49448044 4.33051917
C 2.44542444 -4.26450917 -0.68445996
C 1.70126528 -4.67154807 -1.78943416
C 3.51144740 -5.03894535 -0.24521271
C 2.02120184 -5.84350622 -2.44579064
H 0.87344011 -4.05623687 -2.11732119
C 3.82753550 -6.21342106 -0.90750977
H 4.09285381 -4.72753655 0.61182667
C 3.08599445 -6.61596122 -2.00500917
H 1.44328944 -6.15878734 -3.30183609
H 4.65655281 -6.81496377 -0.56367014
H 3.33749647 -7.53253061 -2.51787380
130
conf 146  E=-192.86242692 Eh  dE=1.572 kcal/mol  pop=0.09%
Ir -0.37988004 -0.09572803 -0.03087703
C -1.65868286 0.71786697 1.49719855
C -1.10169447 1.39529881 2.60806909
C -3.06591028 0.72313905 1.55432621
C -1.82274794 1.90711524 3.66552544
H -0.03218068 1.53296553 2.65553458
C -3.82893743 1.22382485 2.62198372
C -3.20691979 1.79707973 3.70371556
H -1.30257315 2.39560659 4.47996737
H -3.77740639 2.16872712 4.54345929
C -1.93815659 -0.77907450 -1.34110912
C -3.32883476 -0.80056872 -1.10142549
C -1.59865963 -1.55661462 -2.47165935
C -4.26289397 -1.54132100 -1.83822498
C -2.49865499 -2.26808175 -3.23738968
H -0.56138722 -1.60899983 -2.77076633
C -3.84962581 -2.28544877 -2.91702423
H -2.14681492 -2.83478163 -4.09049817
H -4.55582076 -2.86581950 -3.49450785
C -0.56480227 -2.08019675 0.62671120
C -1.79665662 -2.55548300 1.11604023
C 0.42201826 -3.08255832 0.59019415
C -2.03208617 -3.85075061 1.51874023
H -2.62090976 -1.85264540 1.17286257
C 0.21376082 -4.41085807 0.98706727
C -1.01855922 -4.80105940 1.45483448
H -3.01172307 -4.13949240 1.87915657
H -1.19565323 -5.82302518 1.75919012
C 1.09554368 -0.54487947 -1.44957485
C 2.15742184 -1.45488676 -1.26597400
C 1.20880479 0.17381043 -2.66362455
C 3.24813268 -1.58976129 -2.13629326
C 2.25163470 0.02982666 -3.55370062
H 0.40879372 0.84829865 -2.93951503
C 3.30871890 -0.83178661 -3.28059345
H 2.25076640 0.59042835 -4.47982521
H 4.14159840 -0.92483436 -3.96333752
C -0.40798144 1.85492685 -0.76822350
C -1.59930903 2.37020451 -1.31672516
C 0.66222546 2.76240455 -0.85742825
C -1.71692247 3.60901192 -1.90546779
H -2.48246296 1.74270601 -1.28865532
C 0.57300079 4.03557182 -1.43808173
C -0.61819942 4.46002293 -1.97706837
H -2.66839581 3.92498420 -2.31474189
H -0.70015705 5.43456717 -2.43760833
C 1.22391903 0.19899038 1.28249596
C 2.26051701 1.14581168 1.15803608
C 1.32429280 -0.55798827 2.47478944
C 3.28862414 1.32056094 2.09544437
C 2.30618052 -0.37995620 3.42574929
H 0.54794662 -1.27863098 2.69465293
C 3.31933703 0.55158422 3.23444046
H 2.28766506 -0.96645347 4.33506880
H 4.09626956 0.68797142 3.97334937
H -4.91167369 1.14781532 2.59391990
H -5.30807910 -1.54240291 -1.54594396
H 1.01869022 -5.13440931 0.91167613
H 4.03163187 -2.30844112 -1.91773998
H 1.43884614 4.68962033 -1.45206184
H 4.04202842 2.08604681 1.93916581
P -4.07759910 0.21011403 0.17553598
P 2.25666312 2.37388977 -0.14802408
P 2.06984375 -2.71899403 -0.00001544
C -4.78684194 1.71071782 -0.59566500
C -5.30617701 1.64402315 -1.88620099
C -4.80357665 2.92184733 0.08712447
C -5.86048721 2.76820138 -2.47027606
H -5.25840838 0.71450906 -2.43684132
C -5.35597577 4.04361979 -0.50391081
H -4.36788165 2.98975716 1.07299990
C -5.89308751 3.96821137 -1.77818569
H -6.26487038 2.70887051 -3.47037410
H -5.36216870 4.98159845 0.03185067
H -6.32557859 4.84550691 -2.23649883
C -5.54764340 -0.63321148 0.85019918
C -6.83020124 -0.36381632 0.38408811
C -5.37229828 -1.56703355 1.86769932
C -7.91821501 -1.02861847 0.92226044
H -6.98066343 0.37177824 -0.39421446
C -6.46195645 -2.22879297 2.40109833
H -4.38092807 -1.75935619 2.25167363
C -7.73700405 -1.96303686 1.92798931
H -8.91152225 -0.81231586 0.55670368
H -6.31760889 -2.94997998 3.19214917
H -8.58859564 -2.47794782 2.34745368
C 2.75056572 3.92367904 0.66447437
C 1.86489533 4.40517042 1.62597273
C 3.90992430 4.62885951 0.37223537
C 2.13823302 5.58545709 2.28755932
H 0.96319210 3.84375532 1.83488742
C 4.17822946 5.81271195 1.03957074
H 4.59778790 4.25635679 -0.37509903
C 3.29593895 6.29113065 1.99317881
H 1.44977191 5.96042389 3.03028570
H 5.07864754 6.36417312 0.81093036
H 3.50880425 7.21671411 2.50730120
C 3.56711420 2.09257082 -1.37670006
C 4.69787413 1.36930902 -1.01776329
C 3.47695721 2.65208505 -2.64619081
C 5.73411145 1.21108390 -1.91992373
H 4.76038461 0.94035559 -0.02827126
C 4.52132312 2.50090967 -3.53985382
H 2.58635542 3.19389156 -2.92976244
C 5.64974415 1.78235708 -3.17870040
H 6.61094941 0.64490971 -1.64001967
H 4.45466987 2.94062126 -4.52428885
H 6.46237355 1.66410923 -3.88040311
C 3.28908439 -2.55193951 1.33711455
C 4.42227173 -1.77164054 1.15430741
C 3.12315387 -3.27704055 2.51268719
C 5.38222091 -1.70840474 2.14848560
H 4.53915947 -1.22062714 0.23271545
C 4.08925523 -3.21550462 3.49860737
H 2.23139435 -3.87168476 2.65197050
C 5.21835352 -2.43152612 3.31805344
H 6.26191327 -1.09607553 2.01130103
H 3.96222316 -3.77688685 4.41292522
H 5.96906267 -2.38209706 4.09306480
C 2.61928167 -4.22967766 -0.85241781
C 1.84408079 -4.63524810 -1.93649578
C 3.74947488 -4.95510021 -0.49914982
C 2.19756231 -5.75816367 -2.65785461
H 0.96582641 -4.05819308 -2.19579688
C 4.09867100 -6.08083205 -1.22637143
H 4.35452314 -4.64325345 0.34138150
C 3.32683968 -6.48198446 -2.30328527
H 1.59640727 -6.07233115 -3.49812886
H 4.97768818 -6.64501674 -0.94992559
H 3.60507860 -7.35970254 -2.86772332
130
conf 147  E=-192.86201542 Eh  dE=1.831 kcal/mol  pop=0.06%
Ir -0.37238300 0.02592331 0.00502019
C -1.70059139 0.74662771 1.51906081
C -1.18641416 1.37814398 2.67532099
C -3.10107549 0.62182299 1.58865342
C -1.92698598 1.69278453 3.79495529
H -0.13726719 1.63354403 2.70556700
C -3.88131259 0.91985642 2.71408074
C -3.28895705 1.42325961 3.84598274
H -1.44034032 2.14940639 4.64747430
H -3.86968190 1.63245261 4.73330905
C -1.87813145 -0.49597236 -1.42100161
C -3.26143744 -0.23945701 -1.36129836
C -1.52608762 -1.12233428 -2.63874882
C -4.16186244 -0.43082328 -2.41861306
C -2.38829096 -1.33145742 -3.69437630
H -0.50902013 -1.46009387 -2.77357689
C -3.72125051 -0.94874136 -3.61135325
H -2.02135452 -1.79344768 -4.60214494
H -4.39588155 -1.07874669 -4.44583777
C -0.60499016 -1.93867549 0.70576140
C -1.86015985 -2.38653403 1.16337350
C 0.38372152 -2.93483530 0.80174648
C -2.10606375 -3.63836177 1.68129425
H -2.69867027 -1.69935112 1.11829890
C 0.16548260 -4.22133302 1.31509802
C -1.08226998 -4.57561329 1.76998303
H -3.10204001 -3.89748518 2.01860975
H -1.26402881 -5.56114629 2.17513451
C 1.13158791 -0.48230952 -1.36414540
C 2.13268649 -1.45737182 -1.16570263
C 1.27937258 0.19766000 -2.59633481
C 3.18196838 -1.70838663 -2.06085325
C 2.27174280 -0.07082721 -3.51574431
H 0.53420263 0.93371174 -2.86972477
C 3.25764792 -1.01184949 -3.24343760
H 2.28679629 0.45513059 -4.46160443
H 4.05011220 -1.20847541 -3.95171514
C -0.39258771 2.00048585 -0.70232317
C -1.60163111 2.59662966 -1.11441127
C 0.70782700 2.86245762 -0.85954764
C -1.70969883 3.85976670 -1.65160618
H -2.51776911 2.02494274 -1.01514066
C 0.63130261 4.15589395 -1.39581018
C -0.58030310 4.65596018 -1.80949660
H -2.67957838 4.23748405 -1.95073823
H -0.65372871 5.64749868 -2.23359886
C 1.24048066 0.33858687 1.30448841
C 2.33085812 1.20548591 1.07952668
C 1.34453788 -0.35239643 2.53487041
C 3.41767150 1.35137748 1.95299754
C 2.37732334 -0.18368655 3.43296175
H 0.53360501 -1.00723059 2.82670114
C 3.44647339 0.65331553 3.13689925
H 2.35887140 -0.70681471 4.38025702
H 4.26816467 0.77218339 3.82896324
H -4.95160485 0.75412618 2.68907856
H -5.20633356 -0.17108232 -2.29188442
H 0.97582476 -4.94207877 1.34279051
H 3.91779034 -2.47342061 -1.83387144
H 1.52361607 4.76806017 -1.47309133
H 4.22156803 2.03889363 1.70959174
P -4.09978577 0.23949627 0.14978077
P 2.32743951 2.38918115 -0.26837005
P 2.03237002 -2.64320200 0.17585143
C -5.13652753 1.72296601 -0.08308394
C -4.64190354 2.95080668 0.35057360
C -6.38753207 1.66800974 -0.69061404
C -5.38854106 4.10153140 0.18180887
H -3.67362287 2.99847631 0.82801861
C -7.13061349 2.82315812 -0.85646220
H -6.79486161 0.72101196 -1.01812527
C -6.63431632 4.04085086 -0.42118329
H -4.99734512 5.04746323 0.52650584
H -8.10371473 2.77123788 -1.32290673
H -7.22035145 4.93926619 -0.54746481
C -5.30872157 -1.09075201 0.46027751
C -5.03373823 -2.36681832 -0.02573201
C -6.48148024 -0.87187417 1.17725110
C -5.91865411 -3.40392350 0.20122737
H -4.12815888 -2.54015524 -0.58943959
C -7.36265941 -1.91434189 1.40281381
H -6.72092734 0.11708487 1.54407386
C -7.08417207 -3.18092389 0.91633134
H -5.69868283 -4.38832644 -0.18509590
H -8.27319040 -1.73525641 1.95605169
H -7.77747385 -3.99072045 1.08965270
C 2.97092963 3.92372558 0.47162443
C 2.21359599 4.45886549 1.51111557
C 4.12178694 4.57464205 0.04803722
C 2.60399963 5.63568834 2.11802093
H 1.31696074 3.94019641 1.82518316
C 4.50805887 5.75579443 0.65989784
H 4.71303445 4.16423715 -0.75931385
C 3.75223956 6.28675059 1.69082631
H 2.01429431 6.05090061 2.92180112
H 5.40151901 6.26356486 0.32643964
H 4.05627201 7.20998499 2.16149322
C 3.54130930 2.04954803 -1.57871080
C 4.64484668 1.25117773 -1.31029212
C 3.41553845 2.66748699 -2.81855823
C 5.61761081 1.06962638 -2.27732547
H 4.73445491 0.78228059 -0.34126452
C 4.39505514 2.49003848 -3.77723835
H 2.54473258 3.27154195 -3.02917961
C 5.49651150 1.69250486 -3.50798145
H 6.47403097 0.44420127 -2.07010537
H 4.29982272 2.97166700 -4.73963259
H 6.25874234 1.55414109 -4.26070046
C 3.29440256 -2.45234927 1.47037372
C 4.47379660 -1.77257690 1.19943575
C 3.11673138 -3.07413506 2.70224992
C 5.46989675 -1.71038980 2.15797076
H 4.60220159 -1.30063309 0.23627189
C 4.11872055 -3.01639810 3.65187208
H 2.18867222 -3.58589347 2.91329635
C 5.29568610 -2.33552790 3.38099329
H 6.38572484 -1.17597118 1.95013452
H 3.98263264 -3.50034219 4.60819201
H 6.07542135 -2.28978395 4.12707061
C 2.49585657 -4.23114299 -0.58562433
C 1.67550498 -4.66982285 -1.62242244
C 3.57552143 -5.00572472 -0.18267109
C 1.93301655 -5.87363883 -2.24736354
H 0.83657695 -4.05437025 -1.92068739
C 3.82832250 -6.21312962 -0.81249667
H 4.21514875 -4.67049935 0.62248884
C 3.01027105 -6.64770772 -1.84117620
H 1.29476741 -6.21375247 -3.04935650
H 4.66645752 -6.81668355 -0.49539169
H 3.21065506 -7.59142902 -2.32651876
130
conf 148  E=-192.86178457 Eh  dE=1.975 kcal/mol  pop=0.05%
Ir 0.14444128 -0.35808297 -0.07947363
C -0.74161583 0.89835954 1.33972871
C -0.03151548 1.30444843 2.49450741
C -2.06210272 1.39252617 1.31612141
C -0.57086903 2.07376124 3.50368655
H 0.97705958 0.93792703 2.63444341
C -2.61680062 2.21113864 2.30968524
C -1.86911100 2.55999201 3.40951428
H 0.01920794 2.30112327 4.38202238
H -2.29105997 3.17451427 4.19219892
C -1.64204149 -1.32395229 -0.63297637
C -2.93438103 -0.77087065 -0.63129954
C -1.62876679 -2.64431137 -1.12882942
C -4.08137653 -1.42807776 -1.10031891
C -2.73269669 -3.31046402 -1.61291727
H -0.68570659 -3.17608357 -1.14989695
C -3.98134856 -2.69849862 -1.61428152
H -2.63022073 -4.31848319 -1.99540715
H -4.85298900 -3.21247178 -1.99447178
C 0.19601697 -1.88355111 1.43311406
C -0.63302846 -1.75734986 2.57341760
C 0.89652296 -3.10501959 1.44592745
C -0.68558088 -2.65585583 3.61665801
H -1.27934697 -0.89651766 2.65696411
C 0.84450844 -4.05277958 2.48111469
C 0.07465786 -3.81815510 3.59293085
H -1.33488089 -2.45870668 4.46055502
H 0.04036919 -4.52815088 4.40739035
C 1.17293616 -1.48169815 -1.59075152
C 1.64985177 -2.80670961 -1.51041591
C 1.34358003 -0.95136677 -2.88821432
C 2.07544890 -3.57391453 -2.60454481
C 1.79258806 -1.66908392 -3.97812666
H 1.10089162 0.08734006 -3.05905086
C 2.12184524 -3.01275992 -3.85864201
H 1.87053397 -1.18504383 -4.94337360
H 2.42277657 -3.59623922 -4.71765960
C -0.29056089 1.19754418 -1.41896925
C -1.10416197 0.99851164 -2.55962270
C 0.05411048 2.55484891 -1.23923773
C -1.51562348 2.00737350 -3.40510041
H -1.38476095 -0.01337811 -2.82163960
C -0.39466896 3.60262419 -2.05553099
C -1.19065034 3.33336695 -3.14282588
H -2.09796464 1.76810393 -4.28563003
H -1.53454663 4.12917874 -3.78839639
C 2.02811138 0.40690840 0.38846556
C 2.44436188 1.75157432 0.39896762
C 3.06774001 -0.47991355 0.72265817
C 3.74442757 2.17153427 0.71192416
C 4.35271205 -0.10248078 1.03935390
H 2.83819155 -1.54104005 0.73743088
C 4.70528635 1.24365125 1.03842057
H 5.09382880 -0.85267839 1.28583191
H 5.71192567 1.55351709 1.28135895
H -3.64740500 2.54192267 2.22861551
H -5.04934747 -0.94092003 -1.04723828
H 1.39542782 -4.98378678 2.39284183
H 2.34662517 -4.61544848 -2.46237708
H -0.09210702 4.62327379 -1.84331204
H 3.99744000 3.22615146 0.68423157
P -3.25158640 0.83164218 0.09636419
P 1.30251992 3.04948781 -0.05212103
P 1.87023985 -3.65728951 0.05149822
C -3.73498764 2.11544453 -1.09694321
C -3.59586395 3.45549205 -0.75932755
C -4.31469510 1.76326828 -2.31083533
C -4.03680449 4.43744181 -1.62821319
H -3.14790880 3.71930327 0.18761269
C -4.76478648 2.74857159 -3.16979016
H -4.39900351 0.72080612 -2.58137047
C -4.62750115 4.08509390 -2.83008502
H -3.92381150 5.47961118 -1.36598412
H -5.22030940 2.47480576 -4.11033027
H -4.97784251 4.85225307 -3.50492554
C -4.77970847 0.54327794 1.04170168
C -4.70709731 -0.45603427 2.00954291
C -5.97669672 1.21109647 0.82283781
C -5.82490969 -0.78484902 2.74963495
H -3.76768994 -0.97220991 2.16030655
C -7.09543413 0.87542910 1.56753869
H -6.03648643 1.98538607 0.06969040
C -7.02200057 -0.12014762 2.52660982
H -5.76854645 -1.56307183 3.49624651
H -8.02882964 1.39071623 1.39314208
H -7.89931866 -0.38173558 3.09950750
C 0.68711199 4.01111653 1.36235309
C -0.53514534 4.66385983 1.28399844
C 1.49304566 4.17155642 2.48512942
C -0.95502120 5.46753422 2.32917232
H -1.14483013 4.53618993 0.40151833
C 1.07161000 4.98173870 3.52196481
H 2.43741599 3.64900793 2.54322669
C -0.15167264 5.63001309 3.44524856
H -1.90923418 5.97147974 2.27290950
H 1.69571074 5.10811231 4.39481539
H -0.47927042 6.25984505 4.25930380
C 2.31391734 4.27746410 -0.93748990
C 2.95575599 3.82631148 -2.08854627
C 2.46473402 5.59791799 -0.53424906
C 3.74303468 4.68852979 -2.82557695
H 2.82746447 2.79398598 -2.38730163
C 3.25614394 6.45801036 -1.27719802
H 1.96813543 5.95454402 0.35778074
C 3.89442246 6.00646954 -2.41957695
H 4.24123735 4.33727391 -3.71698010
H 3.37392628 7.48430931 -0.96064018
H 4.51081717 6.68166384 -2.99450499
C 3.66355518 -3.73127537 0.41319241
C 4.59319932 -3.58899264 -0.61234010
C 4.10774031 -3.91710493 1.71884752
C 5.94657964 -3.66696096 -0.33840835
H 4.25624301 -3.40483695 -1.62211120
C 5.46246944 -3.99194310 1.98649819
H 3.39433875 -3.98215843 2.52712710
C 6.38441198 -3.87704521 0.95863759
H 6.66131577 -3.55897169 -1.14120900
H 5.80043527 -4.13606167 3.00237617
H 7.44183663 -3.93856151 1.16990231
C 1.41886208 -5.41167616 -0.15371136
C 2.36679060 -6.40508485 -0.37007612
C 0.07094357 -5.75179604 -0.06908633
C 1.96790626 -7.72444746 -0.49928657
H 3.41647113 -6.14869631 -0.42667038
C -0.32100692 -7.06985861 -0.20088471
H -0.66199996 -4.98004350 0.11929014
C 0.62679272 -8.05864692 -0.41469413
H 2.70824191 -8.49451232 -0.66048069
H -1.36725590 -7.32841314 -0.12817933
H 0.32041925 -9.09001942 -0.50881641
130
conf 149  E=-192.86173535 Eh  dE=2.006 kcal/mol  pop=0.04%
Ir -0.36573960 0.05904085 -0.09418606
C -1.65006606 0.94798215 1.38189682
C -1.07607511 1.70994790 2.42757533
C -3.05651578 0.97196458 1.44758326
C -1.78182141 2.31666518 3.44355583
H -0.00407100 1.83632080 2.45459105
C -3.80520881 1.60161179 2.45522793
C -3.16882448 2.25248861 3.48250013
H -1.24956779 2.85836939 4.21545448
H -3.73066618 2.72379433 4.27673794
C -1.90954317 -0.36827104 -1.52243394
C -3.28913035 -0.09408095 -1.41430036
C -1.58763259 -0.89544820 -2.79218555
C -4.20634670 -0.16522428 -2.47303853
C -2.47411243 -1.01122671 -3.84352258
H -0.57636479 -1.22975472 -2.97241319
C -3.79403245 -0.60128115 -3.70976198
H -2.13296856 -1.40870842 -4.79099878
H -4.48169211 -0.63949088 -4.54317903
C -0.67333205 -1.89894440 0.55980230
C -1.95979134 -2.29359214 0.96885142
C 0.25843362 -2.95200549 0.62827000
C -2.29721922 -3.55691721 1.39784879
H -2.74427634 -1.54319546 0.95075248
C -0.05018793 -4.25068687 1.05547605
C -1.33245033 -4.55846870 1.44543775
H -3.31523598 -3.77553729 1.69545363
H -1.58465187 -5.55633703 1.77555512
C 1.15271529 -0.49990050 -1.43079501
C 2.14391158 -1.47536013 -1.18557262
C 1.36981458 0.18904681 -2.64785297
C 3.25131607 -1.70732318 -2.01343453
C 2.42225784 -0.05973965 -3.50369559
H 0.64075371 0.92567416 -2.95962972
C 3.39920902 -0.99379188 -3.17842302
H 2.49240646 0.47668267 -4.44127847
H 4.24068495 -1.17058397 -3.83338392
C -0.27467704 2.02722226 -0.83255461
C -1.42293652 2.66001147 -1.35289670
C 0.87115589 2.83503074 -0.93782032
C -1.43012149 3.90202882 -1.94802956
H -2.36817053 2.13432625 -1.29979776
C 0.89453117 4.10900731 -1.52421900
C -0.25718901 4.64189415 -2.05118753
H -2.35474112 4.30800591 -2.33935425
H -0.25291908 5.61622973 -2.51931273
C 1.20446625 0.28864922 1.26761641
C 2.31446926 1.14802794 1.13414559
C 1.20458832 -0.41106822 2.49747745
C 3.32481787 1.28731180 2.09577651
C 2.16336065 -0.25471534 3.47586690
H 0.36922917 -1.06226040 2.71954323
C 3.25475559 0.58112083 3.27335395
H 2.06751782 -0.78551735 4.41415217
H 4.01633901 0.69495500 4.03184524
H -4.88962732 1.59452445 2.41060324
H -5.23546976 0.14426561 -2.31885111
H 0.71808737 -5.01663481 1.06708915
H 3.97797224 -2.46832946 -1.74697947
H 1.81659686 4.68013012 -1.55173833
H 4.14506109 1.97764362 1.92649592
P -4.07853809 0.29125810 0.14763365
P 2.42505797 2.33276555 -0.20821858
P 1.95018261 -2.68864656 0.11962846
C -5.36007477 1.55823436 -0.12870854
C -4.95511073 2.88935829 -0.18975437
C -6.70785514 1.24251253 -0.25494646
C -5.88907809 3.89031122 -0.37405118
H -3.90853899 3.13289764 -0.07235606
C -7.63927894 2.25024476 -0.43795598
H -7.02997147 0.21104574 -0.19932428
C -7.23294435 3.57269055 -0.49645409
H -5.57002664 4.92150761 -0.41340094
H -8.68669514 2.00153729 -0.52837933
H -7.96371570 4.35649970 -0.63089029
C -5.05045757 -1.16675737 0.67932030
C -5.39320181 -1.32835192 2.01842061
C -5.44059364 -2.12790453 -0.24797834
C -6.14400449 -2.41976264 2.41532245
H -5.05505421 -0.61126224 2.75187505
C -6.19337741 -3.21604135 0.15501784
H -5.14376125 -2.02966342 -1.28206206
C -6.55427218 -3.36040722 1.48430974
H -6.40643425 -2.53932671 3.45639994
H -6.49504262 -3.95580219 -0.57213721
H -7.14286101 -4.21052175 1.79648709
C 3.01391619 3.86501367 0.57829043
C 2.15249211 4.43018347 1.51588389
C 4.21483037 4.49146490 0.27432702
C 2.49011860 5.61384653 2.14076218
H 1.21658094 3.93241392 1.73469599
C 4.54754609 5.67965147 0.90376290
H 4.88483899 4.05649995 -0.45514468
C 3.68846523 6.24122968 1.83274859
H 1.81905587 6.05322570 2.86384972
H 5.47968756 6.16993302 0.66307543
H 3.95074881 7.17084359 2.31580035
C 3.73808211 1.95778612 -1.40869578
C 4.81146243 1.16398204 -1.02615291
C 3.71557116 2.52913703 -2.67625097
C 5.85786370 0.94484673 -1.90408205
H 4.82167119 0.72886004 -0.03746375
C 4.76966623 2.31672464 -3.54509802
H 2.86801469 3.12667922 -2.97900380
C 5.84112881 1.52615289 -3.16074748
H 6.69012120 0.32318151 -1.60653580
H 4.75517688 2.76500099 -4.52789955
H 6.66166928 1.36036548 -3.84334120
C 3.10701689 -2.53722678 1.51365956
C 4.30664142 -1.85724541 1.35735964
C 2.82899819 -3.19642498 2.70691337
C 5.22117219 -1.82654728 2.39531987
H 4.51254024 -1.36057266 0.42050907
C 3.74989256 -3.16911180 3.73651118
H 1.88706519 -3.71350227 2.82382163
C 4.94560762 -2.48429980 3.58223099
H 6.15275079 -1.29171065 2.27827208
H 3.53615382 -3.68031432 4.66402223
H 5.66135008 -2.46165042 4.39085168
C 2.47431482 -4.25916246 -0.63761698
C 1.74459992 -4.68060513 -1.74678789
C 3.54130846 -5.02257731 -0.18154704
C 2.07968921 -5.85534389 -2.39047193
H 0.91589794 -4.07390939 -2.08811944
C 3.87257912 -6.19997658 -0.83101496
H 4.11208936 -4.70070114 0.67867873
C 3.14534908 -6.61662533 -1.93275211
H 1.51297147 -6.18144278 -3.24992760
H 4.70240314 -6.79252371 -0.47375898
H 3.40878135 -7.53530088 -2.43572990
130
conf 150  E=-192.86166604 Eh  dE=2.050 kcal/mol  pop=0.04%
Ir -0.36465166 0.05069933 0.03356064
C -1.73727512 0.80448293 1.48798137
C -1.26336342 1.40604338 2.67632394
C -3.14389975 0.73538931 1.47680942
C -2.05356010 1.75442651 3.75138386
H -0.20601734 1.60581668 2.77033215
C -3.97410791 1.07262055 2.55482706
C -3.42800662 1.55477433 3.71862871
H -1.59710022 2.18332049 4.63444281
H -4.05073550 1.79532351 4.56875017
C -1.82843699 -0.51628738 -1.42054815
C -3.19593549 -0.18345674 -1.45934444
C -1.44538388 -1.23220215 -2.57850512
C -4.03832692 -0.36354702 -2.56439193
C -2.25123004 -1.43655231 -3.67865156
H -0.45063809 -1.65067696 -2.62620117
C -3.55451657 -0.95603779 -3.70506077
H -1.86089194 -1.97092335 -4.53550365
H -4.17864662 -1.07457496 -4.57956635
C -0.61884161 -1.88393051 0.80596366
C -1.87648151 -2.29892416 1.28921692
C 0.36252496 -2.88094730 0.95103407
C -2.12743287 -3.51814402 1.87756630
H -2.71189863 -1.61320505 1.20618269
C 0.13856433 -4.13525679 1.53698692
C -1.10855787 -4.45433134 2.01849499
H -3.12430507 -3.75171371 2.23038732
H -1.29412046 -5.41317110 2.48175418
C 1.13897041 -0.51016687 -1.31295653
C 2.10845945 -1.51407534 -1.10472041
C 1.28296258 0.12808082 -2.56763867
C 3.12395233 -1.83315949 -2.01704543
C 2.23970518 -0.20786666 -3.50224428
H 0.55891319 0.88293682 -2.84627193
C 3.19451885 -1.17841739 -3.22379464
H 2.25073550 0.28750524 -4.46444738
H 3.95896339 -1.43000449 -3.94530657
C -0.36134984 2.01417906 -0.71087841
C -1.56380901 2.62232063 -1.12261828
C 0.74876308 2.86293781 -0.87558816
C -1.66050549 3.88551028 -1.66202251
H -2.48628744 2.05990863 -1.02067053
C 0.68415539 4.15691226 -1.41195095
C -0.52349066 4.67055210 -1.82079788
H -2.62656890 4.27268636 -1.96154710
H -0.58796127 5.66337813 -2.24345343
C 1.24604541 0.38901178 1.33066698
C 2.36411082 1.20722287 1.05994138
C 1.34984204 -0.26877506 2.57917382
C 3.47690935 1.33098020 1.90344257
C 2.40933245 -0.11772409 3.44906876
H 0.52139578 -0.88400761 2.90612178
C 3.50556101 0.66451090 3.10526678
H 2.39106359 -0.61268142 4.41144860
H 4.34870675 0.76536190 3.77399011
H -5.04798632 0.95534375 2.46669502
H -5.06890088 -0.03281859 -2.51859080
H 0.94371767 -4.85965598 1.59973830
H 3.83568204 -2.61906041 -1.78458243
H 1.58304351 4.75873088 -1.49382475
H 4.30317315 1.97569274 1.62087168
P -4.08927126 0.31822791 0.01075272
P 2.36950382 2.35930288 -0.31453050
P 2.00341033 -2.64939441 0.28031462
C -5.17469474 1.75250879 -0.28406420
C -4.74547846 3.00951775 0.13487798
C -6.40149996 1.62973260 -0.93009689
C -5.53260370 4.12354588 -0.08802558
H -3.79771217 3.10750843 0.64497658
C -7.18352684 2.74902027 -1.15307529
H -6.75859613 0.65775539 -1.24303690
C -6.75197772 3.99651206 -0.73347428
H -5.19418760 5.09302508 0.24697884
H -8.13630019 2.64572124 -1.65184230
H -7.36832475 4.86675811 -0.90446226
C -5.25077662 -1.05766236 0.30902994
C -4.90051024 -2.32755316 -0.14403490
C -6.45341578 -0.88335131 0.98727315
C -5.74085947 -3.40228648 0.07628022
H -3.96942662 -2.46758676 -0.67429350
C -7.29125864 -1.96287092 1.20394350
H -6.74943515 0.09823679 1.33166014
C -6.93791497 -3.22296178 0.75025055
H -5.46077212 -4.38167325 -0.28279442
H -8.22634592 -1.81826512 1.72537855
H -7.59715296 -4.06195417 0.91767773
C 3.09243580 3.88425193 0.37124821
C 2.40158986 4.46422017 1.43269530
C 4.24902030 4.48340562 -0.11024569
C 2.86363254 5.63320285 2.00389128
H 1.50019878 3.98556137 1.79305737
C 4.70680126 5.65704099 0.46531316
H 4.79000777 4.03851280 -0.93421489
C 4.01719513 6.23206693 1.51886073
H 2.32630428 6.08272441 2.82575411
H 5.60454424 6.12370124 0.08628671
H 4.37816504 7.14848561 1.96185746
C 3.52996973 1.96043259 -1.65596408
C 4.61263787 1.12595656 -1.41548118
C 3.38827555 2.57756121 -2.89485437
C 5.54681260 0.90372316 -2.41180731
H 4.71503190 0.66078156 -0.44597578
C 4.32937264 2.35911445 -3.88263682
H 2.53415537 3.21302333 -3.08060429
C 5.40897284 1.52295735 -3.64250238
H 6.38635195 0.24887818 -2.22769986
H 4.22151799 2.83888628 -4.84466473
H 6.14077619 1.35162916 -4.41825287
C 3.30580559 -2.44302543 1.53207609
C 4.49734646 -1.81533707 1.19513408
C 3.14643492 -2.99775657 2.79769877
C 5.52429473 -1.74070165 2.11935548
H 4.61179051 -1.39460950 0.20678731
C 4.17938250 -2.92905682 3.71329448
H 2.20967554 -3.46704544 3.06181566
C 5.36852761 -2.30168310 3.37562432
H 6.44958103 -1.24719468 1.85884682
H 4.05761802 -3.36249656 4.69541030
H 6.17254488 -2.24735889 4.09486840
C 2.39885168 -4.27779838 -0.43238408
C 1.53206336 -4.73180125 -1.42378352
C 3.46446692 -5.07092357 -0.02869594
C 1.72988537 -5.96890090 -2.00355693
H 0.70351980 -4.10235862 -1.72196031
C 3.65736238 -6.31189047 -0.61301682
H 4.13939080 -4.72426020 0.74213401
C 2.79332428 -6.76151419 -1.59662495
H 1.05540952 -6.32104402 -2.76990637
H 4.48429319 -6.93028384 -0.29512814
H 2.94690410 -7.73155284 -2.04578644
130
conf 151  E=-192.86153378 Eh  dE=2.133 kcal/mol  pop=0.03%
Ir -0.39187624 -0.08242191 -0.05173298
C -1.66827265 0.66589144 1.50901795
C -1.11028234 1.30920351 2.63913242
C -3.07307664 0.61485642 1.59706563
C -1.82201370 1.71990552 3.74592496
H -0.04840400 1.50214223 2.66148144
C -3.82624448 1.01220821 2.71366060
C -3.19706913 1.53643067 3.81639966
H -1.30114800 2.18430926 4.57383857
H -3.75778494 1.82139107 4.69565773
C -1.95035890 -0.69882139 -1.39405278
C -3.34261956 -0.71751690 -1.16276546
C -1.61339963 -1.40725914 -2.56930637
C -4.28220148 -1.39003221 -1.95549123
C -2.51825507 -2.05194066 -3.38710675
H -0.57428189 -1.45858992 -2.86197671
C -3.87222316 -2.06496870 -3.08031156
H -2.16822524 -2.56832561 -4.27226324
H -4.58349345 -2.59096829 -3.70194923
C -0.59371171 -2.09213600 0.53035349
C -1.83916310 -2.58062713 0.96987339
C 0.38340915 -3.10219747 0.46172229
C -2.09761919 -3.89344938 1.29332834
H -2.65780586 -1.87337560 1.04980682
C 0.15359426 -4.44781151 0.78137335
C -1.09292245 -4.85040617 1.19797799
H -3.08842668 -4.19078324 1.61420229
H -1.28744040 -5.88594565 1.43926666
C 1.10046304 -0.49787874 -1.46532210
C 2.15959443 -1.41389891 -1.28959451
C 1.23817195 0.25845720 -2.65369499
C 3.26678273 -1.52193591 -2.14236615
C 2.29574217 0.13803384 -3.53029518
H 0.44468760 0.94348208 -2.92270852
C 3.34716315 -0.73230315 -3.26401130
H 2.31161316 0.72563906 -4.43938703
H 4.19168108 -0.80669197 -3.93458505
C -0.42148418 1.89023505 -0.72865562
C -1.62019983 2.42754346 -1.23867172
C 0.65020951 2.79689840 -0.80763841
C -1.74287446 3.68330901 -1.78886560
H -2.50668418 1.80555842 -1.20903429
C 0.55677609 4.08633010 -1.35057127
C -0.64107625 4.53039727 -1.85796253
H -2.70089693 4.01567471 -2.16883737
H -0.72632569 5.51791743 -2.28932693
C 1.20832895 0.17932473 1.26992117
C 2.24248009 1.13177363 1.16923136
C 1.30593685 -0.60411809 2.44476713
C 3.26652707 1.28864124 2.11414990
C 2.27967066 -0.43916887 3.40651844
H 0.53266881 -1.33493261 2.64185628
C 3.29108655 0.49896276 3.23916938
H 2.25812326 -1.04318839 4.30420212
H 4.06313839 0.62341683 3.98528121
H -4.90539180 0.89476570 2.70765550
H -5.32987702 -1.39285644 -1.67257718
H 0.95326605 -5.17463730 0.68558704
H 4.04762970 -2.24512541 -1.92901805
H 1.42379817 4.73868181 -1.35865696
H 4.02145886 2.05590002 1.97405545
P -4.08779918 0.19645719 0.18879556
P 2.24493490 2.38792460 -0.11025314
P 2.04644543 -2.72225740 -0.07094576
C -4.79248037 1.75658497 -0.46009715
C -5.27725099 1.81149029 -1.76458938
C -4.83872552 2.89592084 0.33550298
C -5.82375812 2.98415561 -2.25273151
H -5.20749350 0.93953826 -2.40047346
C -5.38363122 4.06673265 -0.15948456
H -4.43254637 2.87051843 1.33584974
C -5.88403455 4.11205520 -1.44982913
H -6.19934856 3.02018712 -3.26510006
H -5.41260091 4.94809473 0.46442987
H -6.30954700 5.02761568 -1.83376425
C -5.56203249 -0.68944222 0.79563783
C -6.83862301 -0.38760250 0.33274477
C -5.39987574 -1.68979349 1.75008597
C -7.93357628 -1.08596957 0.81083264
H -6.97861538 0.39937242 -0.39576886
C -6.49659284 -2.38451334 2.22396669
H -4.41392969 -1.90887391 2.13330759
C -7.76535921 -2.08632245 1.75347465
H -8.92208993 -0.84467779 0.44799230
H -6.36233970 -3.15741113 2.96650697
H -8.62224784 -2.62775301 2.12606519
C 2.73491126 3.92179387 0.73570249
C 1.84860047 4.38003840 1.70792431
C 3.88811811 4.64095727 0.45314582
C 2.11522489 5.55011830 2.39007120
H 0.95114069 3.80909506 1.90892337
C 4.14928937 5.81507935 1.14024653
H 4.57657296 4.28781840 -0.30293685
C 3.26651487 6.26986347 2.10487884
H 1.42609204 5.90646763 3.14130121
H 5.04450085 6.37761298 0.91814035
H 3.47380945 7.18798144 2.63444429
C 3.56608522 2.13677682 -1.33363839
C 4.67487990 1.37096486 -0.99651374
C 3.50986455 2.76727960 -2.57178231
C 5.72536053 1.24383316 -1.88726407
H 4.70879000 0.88455119 -0.03251394
C 4.56711730 2.64467206 -3.45425601
H 2.63511883 3.34155412 -2.84052076
C 5.67582881 1.88638851 -3.11291634
H 6.58609157 0.64592399 -1.62398619
H 4.52710404 3.13928356 -4.41383176
H 6.49984348 1.79285716 -3.80501836
C 3.21963581 -2.61523008 1.31285868
C 4.37229452 -1.85018614 1.20119344
C 2.99601902 -3.37863171 2.45441603
C 5.29250781 -1.83822949 2.23417791
H 4.53525557 -1.26968115 0.30495316
C 3.92260177 -3.36821169 3.47916855
H 2.09021702 -3.96271454 2.53690133
C 5.07014733 -2.59773085 3.37070307
H 6.18679794 -1.23722956 2.15348412
H 3.75015460 -3.95889065 4.36728897
H 5.78965385 -2.58752263 4.17622314
C 2.62097714 -4.20290230 -0.95934092
C 1.89114304 -4.55981113 -2.09103241
C 3.72456660 -4.95645598 -0.58133377
C 2.26328885 -5.66173047 -2.83508094
H 1.03274793 -3.96212263 -2.36922674
C 4.09239423 -6.06118992 -1.33120989
H 4.29430041 -4.68340609 0.29646097
C 3.36564605 -6.41378082 -2.45542950
H 1.69708435 -5.93814616 -3.71211796
H 4.95021062 -6.64742533 -1.03479866
H 3.65781593 -7.27568660 -3.03693625
130
conf 152  E=-192.86145458 Eh  dE=2.182 kcal/mol  pop=0.03%
Ir -0.40740341 -0.15691178 -0.05023865
C -1.67929785 0.53715182 1.54465187
C -1.13626482 1.10062588 2.72259543
C -3.08068924 0.42055137 1.64266459
C -1.84892106 1.35135561 3.87695684
H -0.08926556 1.36158805 2.74611548
C -3.83604827 0.66499407 2.79708639
C -3.21027910 1.08699741 3.94570933
H -1.33745894 1.75411053 4.74214482
H -3.76700048 1.24352809 4.85882161
C -1.96103032 -0.81033272 -1.35983386
C -3.35631692 -0.65621845 -1.21850421
C -1.63575606 -1.58622791 -2.49494961
C -4.31239753 -1.14469734 -2.11920248
C -2.55402225 -2.08129498 -3.39694857
H -0.59577588 -1.80788642 -2.68941663
C -3.91345441 -1.85402991 -3.22600508
H -2.21325428 -2.65487885 -4.24970422
H -4.63874388 -2.23259082 -3.93254116
C -0.55435880 -2.14167430 0.61308995
C -1.77350184 -2.65507301 1.10046138
C 0.46786980 -3.10984248 0.59029879
C -1.95741560 -3.95169673 1.52755530
H -2.62753081 -1.98744717 1.15689412
C 0.30829469 -4.43786199 1.00978458
C -0.90883360 -4.86443894 1.48524732
H -2.92436893 -4.26877744 1.89833413
H -1.04692213 -5.88532438 1.81276117
C 1.05278529 -0.58266281 -1.48818269
C 2.14126888 -1.45964834 -1.30227920
C 1.13212562 0.11915181 -2.71419324
C 3.22968031 -1.57273669 -2.17868942
C 2.17401191 -0.00180732 -3.60796481
H 0.30978658 0.76494358 -2.99247551
C 3.26056519 -0.82505390 -3.33063602
H 2.14997071 0.54730939 -4.54059317
H 4.09289304 -0.89798007 -4.01652192
C -0.47421561 1.79746745 -0.83500659
C -1.62134726 2.25405522 -1.51888734
C 0.55511675 2.75613420 -0.83957000
C -1.74293942 3.49003630 -2.11474052
H -2.46391529 1.58361374 -1.61610496
C 0.45716224 4.03008740 -1.41901419
C -0.69885828 4.40596495 -2.05988952
H -2.65874530 3.75043655 -2.63025467
H -0.78885765 5.38206884 -2.51553870
C 1.21168349 0.16896873 1.26015094
C 2.20466929 1.16426905 1.16725486
C 1.34782426 -0.61198438 2.43490356
C 3.22239037 1.36444118 2.11105938
C 2.31666270 -0.41044223 3.39513011
H 0.60526887 -1.37172823 2.63941846
C 3.28563320 0.57175557 3.23214640
H 2.32168336 -1.01916253 4.28996189
H 4.05213612 0.72728786 3.97818400
H -4.90945545 0.51587020 2.78538185
H -5.36870257 -0.97796490 -1.93612890
H 1.13888975 -5.13320183 0.94785280
H 4.03606559 -2.26446374 -1.95621446
H 1.29160857 4.72111854 -1.35633251
H 3.93900968 2.16825944 1.97459868
P -4.07090299 0.22972784 0.16772890
P 2.15079990 2.41600433 -0.11255044
P 2.10161734 -2.70681486 -0.01839661
C -4.56558555 1.92758194 -0.28561441
C -4.01206980 3.01675070 0.37906979
C -5.46870411 2.13979850 -1.32341783
C -4.37380524 4.30210262 0.02050802
H -3.29242174 2.85256647 1.16725537
C -5.82638010 3.42764419 -1.67699169
H -5.88911803 1.29609443 -1.85297692
C -5.28223024 4.51033486 -1.00383894
H -3.93936392 5.14430185 0.53876585
H -6.52961677 3.58860169 -2.48123403
H -5.56193285 5.51569440 -1.28280358
C -5.63550791 -0.58312411 0.60392809
C -5.66360582 -1.97315950 0.67209071
C -6.76935206 0.14804769 0.94319662
C -6.82000903 -2.62259707 1.06150318
H -4.77872154 -2.53542802 0.40687014
C -7.92346254 -0.50809439 1.33272751
H -6.74714471 1.22872786 0.90133646
C -7.95089061 -1.89175183 1.39116969
H -6.84156442 -3.70135723 1.10865196
H -8.80263352 0.06312968 1.59332321
H -8.85419792 -2.40001816 1.69433848
C 2.60715078 3.97138410 0.70804070
C 1.73526673 4.40071905 1.70607663
C 3.71268680 4.74043426 0.37168240
C 1.96918638 5.59280884 2.36167259
H 0.87564973 3.78862847 1.94762685
C 3.94103392 5.93619532 1.03249953
H 4.38750486 4.40808795 -0.40591818
C 3.07248903 6.36279791 2.02281049
H 1.29183750 5.92750641 3.13333150
H 4.79839550 6.53850621 0.76941278
H 3.25335365 7.29855733 2.53066054
C 3.43472071 2.17639003 -1.37674493
C 4.61615809 1.52674680 -1.03876714
C 3.26588156 2.68309520 -2.66005837
C 5.62224625 1.38777993 -1.97717631
H 4.74079453 1.13866835 -0.03804726
C 4.28152538 2.55432041 -3.58970880
H 2.33743872 3.16730199 -2.92608694
C 5.45844941 1.90699084 -3.25086181
H 6.53760043 0.87706693 -1.71472194
H 4.15247107 2.95425296 -4.58478992
H 6.24740808 1.80303330 -3.98119691
C 3.35205819 -2.48697371 1.28173385
C 4.42641841 -1.63323534 1.07357839
C 3.27657598 -3.24339175 2.44718029
C 5.41780840 -1.52841152 2.03276805
H 4.47102454 -1.05688598 0.16106542
C 4.27321609 -3.13837401 3.39830033
H 2.42998582 -3.89625255 2.60656501
C 5.34394462 -2.28184146 3.19230477
H 6.25215232 -0.85972656 1.87610738
H 4.21656085 -3.72310990 4.30506664
H 6.11931400 -2.19952571 3.93979334
C 2.67901967 -4.21563183 -0.85848117
C 1.88981270 -4.67012741 -1.91249640
C 3.84540913 -4.89262821 -0.52672082
C 2.26212763 -5.79461535 -2.62199157
H 0.98460158 -4.13002483 -2.15804301
C 4.21385448 -6.02002938 -1.24169978
H 4.46424746 -4.54271113 0.28826979
C 3.42567394 -6.47141523 -2.28635614
H 1.64845737 -6.14692193 -3.43778133
H 5.12069495 -6.54629418 -0.98074384
H 3.71819214 -7.35126362 -2.84021546
130
conf 153  E=-192.85949859 Eh  dE=3.410 kcal/mol  pop=0.00%
Ir 0.28151561 -0.15184153 -0.01638828
C -0.87581372 1.09746102 1.22611903
C -0.27953561 1.78290331 2.31608876
C -2.24237909 1.40962181 1.10043647
C -0.94853011 2.65032103 3.15245801
H 0.74981308 1.56262082 2.56467418
C -2.93001585 2.33685021 1.89793759
C -2.28148130 2.97546439 2.92519516
H -0.42975490 3.09229035 3.99327954
H -2.79770053 3.68406626 3.55716781
C -1.32006420 -1.20346221 -0.88615907
C -2.69252439 -0.90071261 -0.86126960
C -1.04872109 -2.33813642 -1.68270786
C -3.68365759 -1.62516596 -1.53710258
C -1.99660660 -3.06126940 -2.37283872
H -0.01847979 -2.64809281 -1.80126510
C -3.34087703 -2.71329030 -2.30171093
H -1.69255377 -3.90368629 -2.98127034
H -4.09146250 -3.27692851 -2.83750301
C 0.18534116 -1.65746696 1.50139180
C -0.57455901 -1.45633302 2.67868145
C 0.72005726 -2.95967265 1.45521886
C -0.75980524 -2.39603740 3.67051888
H -1.05170119 -0.50118972 2.83685603
C 0.55254213 -3.93592797 2.44965274
C -0.18977994 -3.65893380 3.57115469
H -1.35631305 -2.14362566 4.53826394
H -0.32471738 -4.39915513 4.34737598
C 1.75520193 -1.10182423 -1.23234068
C 2.34694834 -2.37161237 -1.06981953
C 2.41188197 -0.34128756 -2.22654494
C 3.45866127 -2.83426601 -1.78814496
C 3.49737469 -0.77478736 -2.95668028
H 2.03999577 0.65065893 -2.44561346
C 4.04403848 -2.03336962 -2.73808912
H 3.93591296 -0.12704868 -3.70565743
H 4.90507162 -2.37385808 -3.29609835
C -0.01120718 1.32302008 -1.50305038
C -0.74017591 1.05201863 -2.68586198
C 0.32909585 2.68582128 -1.39542941
C -1.13251606 2.01099766 -3.59497298
H -0.99299547 0.02743087 -2.91782703
C -0.05601480 3.68218710 -2.30512609
C -0.81512217 3.35137075 -3.40152065
H -1.69131594 1.71876935 -4.47484670
H -1.12921844 4.10681827 -4.10833928
C 2.04370764 0.69070519 0.75698950
C 2.49741078 2.01598613 0.61681242
C 2.97445067 -0.13084181 1.42743237
C 3.74236637 2.47773368 1.06633097
C 4.19788942 0.29901591 1.89204259
H 2.70748307 -1.16680123 1.60334585
C 4.60230293 1.61636798 1.70473174
H 4.85613711 -0.39080737 2.40604726
H 5.56758676 1.95632366 2.05286479
H -3.97980826 2.53354127 1.70376473
H -4.72167065 -1.32422603 -1.45367044
H 1.01064361 -4.91212188 2.32978542
H 3.87105929 -3.81620039 -1.58055306
H 0.25473078 4.70996618 -2.14426445
H 4.03515812 3.50871461 0.89697784
P -3.36237049 0.46809630 0.07368091
P 1.46685489 3.26603340 -0.14322798
P 1.67185235 -3.57596745 0.07078474
C -4.26028449 1.60322929 -1.01626144
C -3.57630617 2.73967050 -1.43708528
C -5.54364588 1.35284200 -1.49238722
C -4.17399500 3.62610503 -2.31171635
H -2.57446689 2.90855883 -1.06928937
C -6.13717883 2.24473646 -2.36750475
H -6.08217485 0.47028909 -1.17587483
C -5.45648344 3.38046697 -2.77611847
H -3.63922559 4.50697239 -2.63436512
H -7.13576942 2.05296823 -2.73264895
H -5.92704786 4.07293689 -3.45835814
C -4.53835615 -0.27930316 1.23560223
C -4.10975544 -1.45577114 1.84701813
C -5.74717779 0.29531236 1.60996075
C -4.89603563 -2.06380300 2.80559143
H -3.15375305 -1.87649983 1.56388924
C -6.53372114 -0.32387746 2.56585161
H -6.07600207 1.22045006 1.15624270
C -6.11299234 -1.50192599 3.16081615
H -4.56004290 -2.97507235 3.27785383
H -7.47807068 0.11725484 2.85030314
H -6.73203202 -1.97917179 3.90609802
C 0.66145676 4.37301333 1.05300847
C 1.36158014 4.77708941 2.18597832
C -0.61576288 4.86417068 0.81485020
C 0.78582190 5.67147278 3.06812400
H 2.34790162 4.37755482 2.37580151
C -1.18669380 5.75819496 1.70211993
H -1.16140451 4.53757904 -0.05829245
C -0.48654605 6.16563555 2.82542764
H 1.32809464 5.98426775 3.94877239
H -2.18129684 6.13678084 1.51695793
H -0.93401841 6.86424333 3.51712052
C 2.60487701 4.36859000 -1.03590058
C 2.65277271 5.74449360 -0.85218065
C 3.42550096 3.76585308 -1.98634731
C 3.52226215 6.50935372 -1.61148910
H 2.01421639 6.21658314 -0.11772028
C 4.28961971 4.53411528 -2.74132211
H 3.37720791 2.69253840 -2.11543307
C 4.33844890 5.90773540 -2.55432116
H 3.56005678 7.57934399 -1.46660262
H 4.92623087 4.06595027 -3.47741536
H 5.01324942 6.50963464 -3.14485283
C 3.06554312 -4.52448919 0.75430801
C 3.02454595 -5.90801767 0.88951976
C 4.17199125 -3.81906420 1.21918863
C 4.08239767 -6.57645047 1.48043696
H 2.16847220 -6.46270855 0.52894679
C 5.22533695 -4.49203638 1.80828953
H 4.20167706 -2.74486091 1.10186464
C 5.18146841 -5.87123485 1.94137677
H 4.04667917 -7.65140901 1.58244495
H 6.08341852 -3.94189038 2.16539370
H 6.00418822 -6.39672578 2.40320066
C 0.67403706 -4.84902071 -0.77430983
C 1.19011951 -5.49284754 -1.89496005
C -0.59766621 -5.17476573 -0.31653867
C 0.44769949 -6.46711860 -2.53627190
H 2.17005256 -5.22560249 -2.26471327
C -1.33378054 -6.15308651 -0.95963486
H -1.00913082 -4.65450069 0.53606406
C -0.81219812 -6.80300154 -2.06601112
H 0.85156121 -6.96638485 -3.40502765
H -2.32123322 -6.40288431 -0.60024524
H -1.38950851 -7.56586462 -2.56747578
130
conf 154  E=-192.85897385 Eh  dE=3.739 kcal/mol  pop=0.00%
Ir -0.25685492 -0.17638723 -0.02636639
C -1.44148292 0.75063268 1.50088553
C -0.84491918 1.31210012 2.65524770
C -2.83173859 0.97454241 1.48635185
C -1.52596123 1.97235229 3.65611866
H 0.22223473 1.22545578 2.78910386
C -3.55292391 1.64326650 2.48748885
C -2.90259163 2.14414346 3.58839821
H -0.97814380 2.36061912 4.50561719
H -3.44429773 2.65593905 4.37147699
C -1.87096072 -0.98546580 -1.15594717
C -3.25542745 -0.77790959 -0.98741246
C -1.60317965 -1.99620477 -2.10666514
C -4.25858444 -1.47670274 -1.67339024
C -2.56788773 -2.69291037 -2.80201513
H -0.57156170 -2.24286435 -2.31970894
C -3.91796783 -2.44293174 -2.58846036
H -2.27407423 -3.44781741 -3.52067823
H -4.67987826 -2.99268486 -3.12314941
C -0.43288535 -2.07859639 0.84685854
C -1.60919765 -2.41998081 1.54740239
C 0.46470172 -3.15850636 0.74234710
C -1.86686794 -3.66678332 2.07319377
H -2.35798241 -1.65017177 1.69573725
C 0.22389115 -4.44013681 1.25665047
C -0.94904815 -4.70085604 1.92389717
H -2.79188975 -3.85020768 2.60605559
H -1.15118035 -5.68532530 2.32201199
C 1.11127734 -0.77265889 -1.52283305
C 2.10977100 -1.75663940 -1.38181747
C 1.22192434 -0.07990207 -2.75218245
C 3.14113084 -1.98948016 -2.30415457
C 2.22281620 -0.28974074 -3.67627538
H 0.46662340 0.64903445 -3.00819183
C 3.21749444 -1.23539579 -3.45003924
H 2.23486207 0.28544628 -4.59325921
H 4.00971995 -1.39481214 -4.16835252
C -0.35402503 1.68957734 -1.00740449
C -1.45877738 1.98332144 -1.83953204
C 0.59283312 2.72837760 -1.02025844
C -1.60603542 3.13739942 -2.57738605
H -2.23393048 1.23719308 -1.95080093
C 0.46287417 3.92362751 -1.74106754
C -0.64382058 4.13922715 -2.52459712
H -2.47731438 3.26378399 -3.20761318
H -0.75718279 5.05205658 -3.09204832
C 1.44780418 0.23152483 1.15103761
C 2.39629435 1.25574609 0.97449128
C 1.76492387 -0.58774169 2.26568087
C 3.55510968 1.42023844 1.74818377
C 2.86289093 -0.40855832 3.07955765
H 1.06604129 -1.36094395 2.55489760
C 3.80312283 0.57794153 2.80313240
H 3.00170834 -1.04834939 3.94145581
H 4.68357296 0.69694845 3.41847780
H -4.62631953 1.76590646 2.38855081
H -5.30388544 -1.26890957 -1.46991652
H 0.95342937 -5.23068342 1.11499659
H 3.87054494 -2.77058851 -2.11310376
H 1.23875125 4.67803597 -1.67601752
H 4.24332650 2.22663953 1.51433667
P -3.87893720 0.48297808 0.12166423
P 2.12972766 2.65043873 -0.11086080
P 2.05219446 -2.96033668 -0.06007528
C -4.38693809 2.00069349 -0.75244666
C -3.93047653 3.24420897 -0.33092397
C -5.22795488 1.91171339 -1.85765134
C -4.33191975 4.38898928 -0.99479119
H -3.25648335 3.30912365 0.51071755
C -5.62315227 3.05950225 -2.51947424
H -5.56596266 0.94333327 -2.19948267
C -5.18042980 4.29948730 -2.08576558
H -3.97470006 5.35313009 -0.66395454
H -6.27662823 2.98815768 -3.37685817
H -5.49116472 5.19470769 -2.60421157
C -5.43019399 -0.14611441 0.83124457
C -5.42811829 -1.43891671 1.34791774
C -6.57521816 0.63586188 0.93427641
C -6.56224157 -1.94439371 1.95396075
H -4.53568511 -2.04261963 1.25752102
C -7.70814788 0.12400905 1.54246622
H -6.58167234 1.64199461 0.53657595
C -7.70350589 -1.16343813 2.05262631
H -6.55870191 -2.94880734 2.35091889
H -8.59653853 0.73394575 1.61940427
H -8.58969589 -1.55847327 2.52684759
C 2.11741477 4.10038224 0.97863231
C 0.90597506 4.34803078 1.62131573
C 3.22848011 4.88303838 1.26795788
C 0.80199692 5.38598138 2.52586123
H 0.05785584 3.71164476 1.40418898
C 3.11462348 5.92720376 2.16968981
H 4.17812852 4.68140486 0.79115359
C 1.90519058 6.18215158 2.79482342
H -0.13805072 5.57465695 3.02290242
H 3.97523953 6.54283923 2.38792342
H 1.82413350 6.99878775 3.49691922
C 3.52797379 2.77487754 -1.25639057
C 4.12862035 1.57883053 -1.63785135
C 3.95810655 3.97373173 -1.81662876
C 5.16020556 1.58143964 -2.55640106
H 3.76854938 0.65583690 -1.20647598
C 4.99254240 3.96990079 -2.73509971
H 3.49328558 4.90804437 -1.53400794
C 5.59495309 2.77789010 -3.10423607
H 5.62249333 0.65050737 -2.84890107
H 5.32979308 4.90147075 -3.16602860
H 6.40232416 2.78305237 -3.82156867
C 3.44481675 -2.78271588 1.09507036
C 4.51326508 -1.94726821 0.79602548
C 3.46214977 -3.54489680 2.25952681
C 5.59464954 -1.87838201 1.65528817
H 4.48891676 -1.34660425 -0.10148201
C 4.54629889 -3.47242198 3.11322391
H 2.61957577 -4.17974077 2.49537670
C 5.61470860 -2.64247825 2.81029373
H 6.42350758 -1.22557560 1.42364333
H 4.55981582 -4.06247156 4.01828620
H 6.46068708 -2.58786270 3.47964668
C 2.39449771 -4.54837678 -0.87844413
C 1.43245124 -4.99609585 -1.78063434
C 3.56022263 -5.27975913 -0.69029659
C 1.63371226 -6.16843283 -2.48202629
H 0.52928608 -4.41531901 -1.91476343
C 3.75615801 -6.45485497 -1.39613731
H 4.31206025 -4.93346564 0.00597969
C 2.79705175 -6.89915147 -2.29032786
H 0.88651237 -6.51540777 -3.18027830
H 4.66289501 -7.02332634 -1.24792202
H 2.95626423 -7.81527863 -2.83960177
130
conf 155  E=-192.85860707 Eh  dE=3.969 kcal/mol  pop=0.00%
Ir -0.11769921 -0.20388048 -0.02348933
C -1.29418884 0.77739460 1.44924169
C -0.70301679 1.30611074 2.62098963
C -2.66685159 1.08502162 1.37573542
C -1.37259888 2.05057528 3.56959600
H 0.34384330 1.11627000 2.80854048
C -3.37352747 1.84046976 2.32282524
C -2.72414073 2.34044664 3.42577937
H -0.83745136 2.41368539 4.43797167
H -3.25367866 2.92673873 4.16387432
C -1.71977850 -1.11037208 -1.07062370
C -3.10249936 -0.89231344 -0.91064472
C -1.45014565 -2.19059794 -1.94051524
C -4.10563748 -1.66410663 -1.51368199
C -2.41483057 -2.95712950 -2.55716148
H -0.41697904 -2.43136288 -2.15504458
C -3.76482738 -2.70897106 -2.33843384
H -2.12233558 -3.76447827 -3.21746018
H -4.52667375 -3.31718551 -2.80557559
C -0.31239818 -2.04848719 1.00075586
C -1.43903033 -2.25979493 1.82698112
C 0.45685569 -3.21835653 0.84649122
C -1.76573330 -3.46401815 2.41102553
H -2.09022996 -1.41991872 2.03302080
C 0.13793088 -4.46163073 1.41150840
C -0.98238065 -4.59210049 2.19593484
H -2.64356634 -3.53821107 3.04144049
H -1.24444933 -5.54497830 2.63407643
C 1.27619800 -0.88060374 -1.47954272
C 2.14698354 -1.98240405 -1.36933093
C 1.52439211 -0.13454465 -2.65613472
C 3.16145787 -2.29973747 -2.28475896
C 2.51592178 -0.42115951 -3.57136500
H 0.89622049 0.71643149 -2.87602598
C 3.36444670 -1.50680104 -3.38824003
H 2.63322561 0.20680091 -4.44567595
H 4.14605483 -1.73386514 -4.09994344
C -0.32320618 1.60557081 -1.10279702
C -1.35035131 1.74005011 -2.06928275
C 0.41207563 2.79689658 -0.96436960
C -1.62059928 2.89486584 -2.77171906
H -1.93950851 0.86957836 -2.32500223
C 0.13768482 3.99640720 -1.63715612
C -0.89587274 4.05819042 -2.53857885
H -2.40903022 2.89815806 -3.51377711
H -1.12220902 4.97254577 -3.06863688
C 1.62486211 0.32173469 1.04851439
C 2.45585526 1.44427602 0.86936198
C 2.15496165 -0.57062944 2.01253888
C 3.70193063 1.62693382 1.48605983
C 3.34865500 -0.38635220 2.67698328
H 1.56436621 -1.42902903 2.30443935
C 4.16711912 0.69872918 2.38439116
H 3.65862172 -1.09944860 3.43040880
H 5.12492121 0.82175730 2.86996697
H -4.43452857 2.02355600 2.18436528
H -5.15090930 -1.44985407 -1.31701888
H 0.76410180 -5.32574858 1.21512715
H 3.77928964 -3.17754550 -2.12300569
H 0.75071699 4.87084806 -1.44380464
H 4.29548610 2.50319390 1.24753236
P -3.71265327 0.48723388 0.05244520
P 1.90694985 2.90801692 0.00617202
P 1.99498121 -3.19990141 -0.06713363
C -4.22950682 1.88963280 -0.98722945
C -3.91415819 3.19402058 -0.62652273
C -4.96765869 1.64932559 -2.14212632
C -4.35397757 4.25016107 -1.40346853
H -3.31763515 3.37568928 0.25589072
C -5.40145318 2.70902396 -2.91688473
H -5.19106834 0.63264394 -2.43420215
C -5.10115864 4.01022495 -2.54489362
H -4.10843819 5.26321033 -1.12026915
H -5.97373729 2.52137142 -3.81407358
H -5.44339851 4.83644590 -3.15073767
C -5.26113690 -0.07123085 0.82462229
C -5.22114434 -1.27524096 1.52345528
C -6.44045854 0.66240272 0.77866815
C -6.35305745 -1.74244030 2.16265501
H -4.29962319 -1.84076652 1.54513297
C -7.57171001 0.18839647 1.42087422
H -6.47579997 1.59882805 0.23804586
C -7.53022885 -1.01111660 2.11151748
H -6.32123649 -2.67870894 2.70010626
H -8.48873259 0.75826532 1.38083109
H -8.41611606 -1.37729411 2.60906510
C 1.66285231 4.19658303 1.25873757
C 0.36827086 4.38144525 1.73595789
C 2.71611525 4.91166976 1.82056074
C 0.12807047 5.28343974 2.75473275
H -0.43795773 3.80593623 1.30313008
C 2.46759692 5.81801047 2.83519785
H 3.72640114 4.76529221 1.46431974
C 1.17650673 6.00527806 3.30294979
H -0.87729921 5.42033344 3.12447278
H 3.28487008 6.37817529 3.26608727
H 0.98986827 6.71233245 4.09777097
C 3.22742669 3.43626928 -1.11606143
C 3.86304336 2.42592845 -1.83349123
C 3.55040393 4.76717258 -1.35522980
C 4.82519728 2.74538628 -2.77163629
H 3.58441872 1.39689653 -1.64881032
C 4.51953185 5.07935329 -2.29260074
H 3.05066953 5.55573506 -0.80875511
C 5.15708259 4.07242866 -2.99898082
H 5.31521723 1.96048642 -3.32851165
H 4.77579983 6.11295387 -2.47499217
H 5.91111198 4.32344044 -3.73039891
C 3.45967803 -3.16253779 1.01386253
C 3.47469161 -3.94385795 2.16521514
C 4.56853793 -2.39157613 0.68641372
C 4.59890051 -3.96703358 2.96961140
H 2.60133004 -4.52215744 2.43222226
C 5.69255307 -2.42385846 1.49172121
H 4.54218608 -1.75921239 -0.18920702
C 5.71176973 -3.21380244 2.62950609
H 4.60816765 -4.57236653 3.86452955
H 6.55389328 -1.82514163 1.23421127
H 6.59019294 -3.23643377 3.25776664
C 2.11754594 -4.81886564 -0.88702939
C 3.25328924 -5.61747809 -0.83096938
C 1.02042843 -5.22653055 -1.64169635
C 3.28533449 -6.81776191 -1.52022261
H 4.10833437 -5.30437742 -0.24669171
C 1.05873753 -6.42480025 -2.32758768
H 0.13993183 -4.59928004 -1.67081090
C 2.19179677 -7.22210752 -2.26747564
H 4.16808167 -7.43898335 -1.47317106
H 0.20526773 -6.74059476 -2.90932135
H 2.22205020 -8.15967839 -2.80264301
130
conf 156  E=-192.85841365 Eh  dE=4.091 kcal/mol  pop=0.00%
Ir 0.24414049 -0.01253582 -0.00814682
C -1.05745164 1.23846849 1.08709098
C -0.52448112 2.14385127 2.03678525
C -2.44539892 1.41397378 0.92509183
C -1.25766845 3.10338231 2.70131862
H 0.51778133 2.05172337 2.31217656
C -3.20487387 2.41484322 1.54762656
C -2.60923260 3.28247158 2.42927776
H -0.77504870 3.73138113 3.43946944
H -3.17781277 4.06166431 2.91695674
C -1.24452069 -1.07133312 -1.07216201
C -2.64121450 -1.02843392 -0.90467709
C -0.86588863 -2.03967209 -2.03386331
C -3.55498285 -1.87395863 -1.54999897
C -1.74406361 -2.86066018 -2.70818355
H 0.17794476 -2.11894585 -2.30663637
C -3.10898821 -2.81137059 -2.44845269
H -1.36726202 -3.55486150 -3.44870828
H -3.79789023 -3.47187063 -2.95576123
C -0.02601594 -1.55581863 1.42535520
C -0.79425392 -1.33184804 2.59228260
C 0.40085503 -2.89498517 1.33214609
C -1.10716777 -2.30124061 3.52227483
H -1.16082516 -0.33503527 2.79144585
C 0.09833271 -3.90125084 2.26110385
C -0.67134337 -3.61114606 3.36188994
H -1.69926709 -2.03758297 4.38959064
H -0.91480988 -4.37556498 4.08669516
C 1.81645122 -0.93431415 -1.09322005
C 2.34087201 -2.23216663 -0.93418875
C 2.59401738 -0.15479638 -1.97914169
C 3.51732160 -2.69646001 -1.53971677
C 3.74181286 -0.59131466 -2.60422394
H 2.26539220 0.85179071 -2.20185609
C 4.23101209 -1.87190383 -2.37550713
H 4.27363769 0.06901306 -3.27853780
H 5.14299005 -2.21324875 -2.84491940
C 0.13596236 1.56353683 -1.43018669
C -0.68041786 1.44635326 -2.58002089
C 0.71698674 2.84311206 -1.33266118
C -0.90745514 2.46109410 -3.48656353
H -1.15866161 0.49941085 -2.78507953
C 0.50925616 3.89111252 -2.24148109
C -0.32083819 3.71019468 -3.32147065
H -1.54894742 2.28071888 -4.34006854
H -0.49562725 4.50938824 -4.02831434
C 1.96086317 0.69260537 1.02025829
C 2.63593964 1.91758930 0.85334878
C 2.67100601 -0.19180863 1.86310237
C 3.88565371 2.22182561 1.41206139
C 3.88810714 0.08914413 2.44482855
H 2.23028584 -1.15450015 2.08708442
C 4.52377049 1.30241075 2.20908503
H 4.36001032 -0.64247094 3.08958089
H 5.48955391 1.52026618 2.64310310
H -4.26324980 2.50153365 1.32602426
H -4.61468213 -1.77964785 -1.33647170
H 0.48069335 -4.90619229 2.11190239
H 3.87591228 -3.69993482 -1.33547850
H 1.01349711 4.84114035 -2.09419435
H 4.35855385 3.17547367 1.20158459
P -3.46441983 0.22797767 0.06181525
P 1.89015680 3.26880231 -0.05041869
P 1.46721221 -3.47107457 0.01540176
C -4.56472121 1.13173666 -1.05972332
C -4.00637140 2.20837067 -1.74364785
C -5.87309283 0.74338207 -1.32673939
C -4.75623202 2.89897426 -2.67599065
H -2.98150175 2.48635854 -1.53742721
C -6.61997343 1.44305579 -2.25796503
H -6.30939563 -0.09766002 -0.80485816
C -6.06496515 2.51919949 -2.93140690
H -4.31984338 3.73276443 -3.20577171
H -7.63867149 1.14581782 -2.46102104
H -6.65326664 3.05997087 -3.65803448
C -4.49182295 -0.60259690 1.30463203
C -4.04101618 -1.82444554 1.79577946
C -5.63653472 -0.02117119 1.84157869
C -4.73613282 -2.46391293 2.80454712
H -3.14153768 -2.25796711 1.38162583
C -6.33103553 -0.66968150 2.84635782
H -5.98844156 0.93194030 1.47160709
C -5.88323724 -1.88936168 3.32867157
H -4.38075422 -3.41022436 3.18464529
H -7.22379424 -0.22088644 3.25733875
H -6.42874956 -2.38949706 4.11533516
C 1.18406728 4.53099658 1.05616255
C -0.01015068 5.16809801 0.74105380
C 1.86973085 4.87989550 2.21556441
C -0.49846530 6.16503186 1.56610112
H -0.55881538 4.87269450 -0.14146586
C 1.37323600 5.87286040 3.03967371
H 2.78383756 4.36421086 2.47406364
C 0.19354222 6.52236430 2.71165598
H -1.42550474 6.66043433 1.31760056
H 1.90605068 6.14056870 3.94067367
H -0.19048684 7.30032599 3.35517977
C 3.25308112 4.14284833 -0.87809431
C 4.11740131 3.37185343 -1.65136803
C 3.43399904 5.51837214 -0.80145755
C 5.15451438 3.97301612 -2.33746366
H 3.97119257 2.30129634 -1.69382614
C 4.47657167 6.11461206 -1.49018046
H 2.76512847 6.12054597 -0.20110519
C 5.33529045 5.34561726 -2.25749737
H 5.82565897 3.37312263 -2.93428567
H 4.61840175 7.18373594 -1.42646923
H 6.14729819 5.81576075 -2.79227405
C 2.73669654 -4.51368376 0.79418325
C 3.74565698 -3.86196923 1.49890815
C 2.71150658 -5.90228872 0.74751249
C 4.72181343 -4.59454308 2.14578730
H 3.75962412 -2.78097847 1.51880895
C 3.69333921 -6.63062728 1.39724055
H 1.92974519 -6.41190978 0.20008710
C 4.69670543 -5.98009521 2.09564121
H 5.50584637 -4.08721583 2.68839929
H 3.67453223 -7.71007169 1.35708446
H 5.46097259 -6.55298317 2.59969840
C 0.55267954 -4.62811386 -1.05290142
C -0.72006673 -5.06429967 -0.70501678
C 1.14932864 -5.09525067 -2.21996132
C -1.37817631 -5.98035372 -1.50546593
H -1.19399385 -4.67733955 0.18543537
C 0.48444392 -6.00686522 -3.01884785
H 2.12812832 -4.73493057 -2.50364576
C -0.77632419 -6.45631159 -2.65867492
H -2.36642689 -6.31940730 -1.23166981
H 0.94904131 -6.36723570 -3.92527262
H -1.29244499 -7.17108713 -3.28277208
130
conf 157  E=-192.85819325 Eh  dE=4.229 kcal/mol  pop=0.00%
Ir -0.16104496 -0.29410684 0.01500359
C -1.29546797 0.68430162 1.52549020
C -0.70985560 1.13343553 2.73311073
C -2.62997994 1.11849640 1.40546164
C -1.33438696 1.95132969 3.65075645
H 0.29330910 0.81752853 2.97603135
C -3.29093254 1.95205023 2.32052903
C -2.63473075 2.39655898 3.44229026
H -0.80444942 2.25183260 4.54573361
H -3.12416034 3.04977560 4.15142120
C -1.80315020 -1.21619322 -0.93297934
C -3.17199818 -0.91340155 -0.79064720
C -1.58985515 -2.37630911 -1.70969052
C -4.21507401 -1.67376631 -1.33716862
C -2.59483831 -3.13630605 -2.26680032
H -0.56958657 -2.68879256 -1.89458763
C -3.92945041 -2.79601738 -2.07703316
H -2.34805666 -4.01088683 -2.85596673
H -4.72287869 -3.39628240 -2.49976905
C -0.24801893 -2.12611871 1.05906628
C -1.35137448 -2.38817068 1.90080289
C 0.60585715 -3.24067101 0.93755249
C -1.57836830 -3.58900432 2.53700383
H -2.06437687 -1.59194184 2.07404954
C 0.39466024 -4.47643826 1.56442141
C -0.70538335 -4.65761330 2.36778336
H -2.44619910 -3.70736552 3.17393485
H -0.88466492 -5.60603865 2.85447617
C 1.16723575 -0.96159330 -1.51079758
C 2.11848932 -1.99311849 -1.39001539
C 1.29621495 -0.28024017 -2.74455173
C 3.11739348 -2.28247743 -2.33209603
C 2.26558044 -0.54279746 -3.68936812
H 0.59188051 0.50119228 -2.98618280
C 3.21144560 -1.54035398 -3.48394308
H 2.29082958 0.03740327 -4.60307880
H 3.98189992 -1.74203850 -4.21524801
C -0.41665482 1.47954369 -1.12156758
C -1.41720178 1.54642912 -2.12426037
C 0.30920266 2.68090150 -1.04427632
C -1.66329767 2.64702933 -2.91718826
H -1.99439509 0.65798674 -2.34216342
C 0.05205609 3.83166234 -1.80401535
C -0.95000438 3.82703167 -2.74179799
H -2.42469711 2.59405400 -3.68497322
H -1.15992452 4.70096588 -3.34200213
C 1.57633342 0.30362879 1.07802974
C 2.31776245 1.49099601 0.94894961
C 2.11796837 -0.53358905 2.08595115
C 3.48382372 1.79815512 1.66560984
C 3.23567887 -0.23918412 2.83705768
H 1.59339695 -1.44389039 2.34236481
C 3.96104389 0.92458659 2.61043214
H 3.55548665 -0.92433828 3.61187507
H 4.85438394 1.14521047 3.17732978
H -4.32162531 2.24071621 2.13946794
H -5.24735929 -1.38872294 -1.16282846
H 1.08831208 -5.29507888 1.40338317
H 3.81336256 -3.09481848 -2.14749958
H 0.65584774 4.72013988 -1.64979988
H 4.00033439 2.73252537 1.47172180
P -3.70401853 0.54939940 0.09424355
P 1.78745815 2.86537580 -0.05991210
P 2.11440787 -3.14460374 -0.02217216
C -4.16859340 1.93636166 -0.98828234
C -3.76663566 3.23259316 -0.69083694
C -4.95448473 1.69313123 -2.11051271
C -4.16194900 4.27981853 -1.50256350
H -3.13428785 3.41327836 0.16638735
C -5.34431076 2.74400791 -2.91973114
H -5.24825403 0.68046784 -2.34954536
C -4.95274212 4.03812397 -2.61393886
H -3.84653790 5.28657612 -1.27111210
H -5.95284004 2.55496059 -3.79230350
H -5.25830006 4.85737380 -3.24815475
C -5.26515283 0.10623492 0.91508908
C -5.25133035 -1.03789302 1.70892279
C -6.41690543 0.87944157 0.83768333
C -6.38164688 -1.40789162 2.41096324
H -4.34903763 -1.63260463 1.75806399
C -7.54717197 0.50336465 1.54332783
H -6.43144762 1.77158451 0.22599933
C -7.53141350 -0.63678666 2.32893601
H -6.36954432 -2.29686985 3.02413282
H -8.44243671 1.10492143 1.48048642
H -8.41555052 -0.92444891 2.87839317
C 1.51809534 4.26714299 1.05625871
C 0.23610873 4.37217067 1.59101150
C 2.51415260 5.14623817 1.46622789
C -0.05189858 5.36028765 2.51170788
H -0.51975056 3.66395794 1.27991967
C 2.21627580 6.13948804 2.38285882
H 3.51740804 5.05934848 1.07213867
C 0.93711277 6.24954694 2.90343122
H -1.04596606 5.43531111 2.92687586
H 2.98738034 6.82867899 2.69546187
H 0.71321557 7.02672620 3.61919983
C 3.13396012 3.22863206 -1.21654020
C 3.76688241 2.11469453 -1.76378194
C 3.48139301 4.50432657 -1.64576892
C 4.75328412 2.27685287 -2.71643495
H 3.46442688 1.12866457 -1.43745526
C 4.47699345 4.65978552 -2.59466497
H 2.97969835 5.37310445 -1.24195154
C 5.11407192 3.55101833 -3.12764131
H 5.23847896 1.41070282 -3.14143578
H 4.75401306 5.65111824 -2.92298292
H 5.88889668 3.68104059 -3.86875327
C 3.61049381 -2.90490745 0.98612067
C 4.57498409 -1.97838682 0.60952100
C 3.79353834 -3.66967002 2.13406468
C 5.72179421 -1.83024770 1.36753831
H 4.41634425 -1.36806129 -0.26777941
C 4.94116016 -3.51517741 2.88938653
H 3.03199015 -4.37552933 2.43530862
C 5.90787723 -2.59923985 2.50459055
H 6.46899594 -1.10758966 1.07425085
H 5.08232561 -4.10764958 3.78187528
H 6.80306963 -2.48008876 3.09722106
C 2.35254069 -4.78683477 -0.76580135
C 1.27745149 -5.31758131 -1.47423477
C 3.55496594 -5.48120402 -0.71271160
C 1.40321395 -6.53461282 -2.11516031
H 0.34566576 -4.76905976 -1.50550698
C 3.67493904 -6.70087273 -1.35667909
H 4.39439361 -5.07081381 -0.16744868
C 2.60296905 -7.22772309 -2.05722930
H 0.56738394 -6.94564102 -2.66192221
H 4.61027222 -7.23987712 -1.31253959
H 2.70225804 -8.17896899 -2.55888722
130
conf 158  E=-192.85812460 Eh  dE=4.272 kcal/mol  pop=0.00%
Ir 0.32266651 -0.11917036 -0.03067386
C -0.88485294 1.15279872 1.15154409
C -0.32232685 1.87397955 2.23736856
C -2.25913246 1.41948295 1.01325758
C -1.02773765 2.72734077 3.05867570
H 0.70999845 1.68861928 2.50200570
C -2.98510328 2.33408708 1.79145011
C -2.36834777 3.00620373 2.81676108
H -0.53152158 3.19391468 3.89982254
H -2.91345128 3.70389564 3.43647948
C -1.24806876 -1.15933837 -1.00322589
C -2.63112595 -0.91454070 -0.94230790
C -0.95322229 -2.22159704 -1.89100202
C -3.61085970 -1.65113729 -1.62331310
C -1.88960527 -2.94558497 -2.59648284
H 0.08230925 -2.46692526 -2.08098431
C -3.24657132 -2.68384311 -2.45091142
H -1.56416907 -3.72636187 -3.27227291
H -3.98767096 -3.26067416 -2.98576222
C 0.17004804 -1.57585723 1.53890012
C -0.53188370 -1.30571362 2.73764773
C 0.66857280 -2.89280443 1.52775021
C -0.68968380 -2.19522308 3.77967911
H -0.98413245 -0.33610300 2.87443900
C 0.52081824 -3.82249898 2.56791966
C -0.15541433 -3.47501924 3.71173527
H -1.23780098 -1.88885934 4.66174288
H -0.26984936 -4.17603997 4.52650784
C 1.80148441 -1.12763479 -1.17493054
C 2.26376136 -2.45318324 -1.04417382
C 2.54039130 -0.40426278 -2.13750350
C 3.30856121 -3.01314047 -1.79187612
C 3.57024146 -0.92886122 -2.88865672
H 2.27897558 0.63029209 -2.31665992
C 3.96822369 -2.25009776 -2.72482753
H 4.07748084 -0.30721021 -3.61584618
H 4.77596573 -2.66701593 -3.30992372
C 0.13317834 1.35542116 -1.53408698
C -0.53377854 1.09939228 -2.75559384
C 0.47630309 2.71538863 -1.39814767
C -0.87198412 2.06791140 -3.67637460
H -0.78565031 0.07924114 -3.00659130
C 0.14237681 3.72181333 -2.31700361
C -0.55980594 3.40502203 -3.45451341
H -1.38538662 1.78551971 -4.58657419
H -0.83335675 4.16898242 -4.16912591
C 2.06844801 0.69472267 0.80989662
C 2.53564404 2.01955261 0.70807060
C 2.98045889 -0.14809104 1.48075472
C 3.76792058 2.46533776 1.20641817
C 4.19253797 0.26493842 1.98833632
H 2.71121286 -1.18879857 1.61974488
C 4.60496297 1.58584391 1.85004649
H 4.83589014 -0.44185620 2.49780908
H 5.56010145 1.91342229 2.23601833
H -4.03949376 2.49078767 1.58521118
H -4.65794118 -1.40191113 -1.49193168
H 0.93996678 -4.81770700 2.46645345
H 3.60737273 -4.04275410 -1.62543607
H 0.44758387 4.74678846 -2.12939770
H 4.06955753 3.49865107 1.07059187
P -3.34014347 0.43928155 -0.01687730
P 1.55072714 3.28539750 -0.08725164
P 1.49449202 -3.59349841 0.10431505
C -4.20733296 1.54000296 -1.16539245
C -3.49611732 2.65029338 -1.61184206
C -5.47384372 1.27823459 -1.67853134
C -4.05086299 3.49935058 -2.54956511
H -2.50546951 2.82704335 -1.21736090
C -6.02503835 2.13424291 -2.61515419
H -6.03118123 0.41285834 -1.34789153
C -5.31752066 3.24328896 -3.05040103
H -3.49338953 4.35740518 -2.89431017
H -7.01045206 1.93344569 -3.01004264
H -5.75422366 3.90536922 -3.78345899
C -4.52738038 -0.31401885 1.12768337
C -4.06811431 -1.45467381 1.78345464
C -5.77326207 0.21382711 1.44302680
C -4.86060489 -2.07584066 2.72803590
H -3.08281453 -1.83404508 1.54473999
C -6.56632183 -0.41976228 2.38441572
H -6.12437087 1.11387062 0.95687304
C -6.11512142 -1.56309953 3.02292458
H -4.50139654 -2.95827606 3.23668028
H -7.53993985 -0.01687644 2.62331808
H -6.73985805 -2.05153631 3.75611998
C 0.69526420 4.40901646 1.05844904
C -0.57354581 4.89128156 0.76422746
C 1.35187074 4.83466255 2.20964132
C -1.17969570 5.79747496 1.61510562
H -1.08643736 4.54579490 -0.12158454
C 0.74066824 5.74054611 3.05543969
H 2.33219483 4.44233429 2.44167922
C -0.52349557 6.22551595 2.75724525
H -2.16797835 6.16920205 1.38718097
H 1.24841247 6.06943701 3.95075184
H -0.99897809 6.93311806 3.42054949
C 2.74529680 4.37945915 -0.91661194
C 3.60398311 3.77277034 -1.83010253
C 2.80746331 5.75248986 -0.71662258
C 4.52041305 4.53262593 -2.52978451
H 3.54440616 2.70198753 -1.97410808
C 3.72946568 6.50920581 -1.42008977
H 2.13980273 6.22979910 -0.01219434
C 4.58445375 5.90284130 -2.32449893
H 5.18668834 4.06030245 -3.23635381
H 3.77840058 7.57665972 -1.26069768
H 5.30119492 6.49814568 -2.87063000
C 2.81323420 -4.67817492 0.72608165
C 2.67499012 -6.05855546 0.81406352
C 3.97525903 -4.06827047 1.19128008
C 3.69705216 -6.82058992 1.35295256
H 1.77088399 -6.53581787 0.46033431
C 4.99199172 -4.83434369 1.72802052
H 4.07399507 -2.99388248 1.11610829
C 4.85421619 -6.21155132 1.80896795
H 3.58771587 -7.89337689 1.41855492
H 5.89405473 -4.35943570 2.08453189
H 5.64888103 -6.81053689 2.22842974
C 0.31477773 -4.73404487 -0.68787779
C 0.70093056 -5.46959272 -1.80422471
C -0.97410494 -4.86724221 -0.18470249
C -0.19129595 -6.34406039 -2.39684101
H 1.69701957 -5.35163778 -2.20815671
C -1.86164684 -5.74366360 -0.78111005
H -1.27796333 -4.27683876 0.66729010
C -1.47129890 -6.48529750 -1.88378824
H 0.11029531 -6.91589926 -3.26256157
H -2.86283942 -5.84303532 -0.38823171
H -2.16645113 -7.16872704 -2.34899971
130
conf 159  E=-192.85772030 Eh  dE=4.526 kcal/mol  pop=0.00%
Ir -0.24049009 -0.28050943 0.00319447
C -1.36927466 0.68116762 1.54020757
C -0.77582935 1.11897271 2.74825674
C -2.69836624 1.13642446 1.42798696
C -1.38723383 1.93503536 3.67626576
H 0.22830638 0.80068601 2.98229489
C -3.34747411 1.96681665 2.35510898
C -2.68531518 2.39148924 3.48064129
H -0.84740371 2.22553381 4.56878424
H -3.16639474 3.04105075 4.19874292
C -1.90864847 -1.12634232 -0.98601097
C -3.27436596 -0.81436970 -0.82551514
C -1.71669837 -2.26825064 -1.79544977
C -4.33093207 -1.54846931 -1.38215736
C -2.73529758 -3.00286083 -2.36240928
H -0.70308381 -2.59067622 -1.99691599
C -4.06457407 -2.65420962 -2.15298938
H -2.50234855 -3.86578958 -2.97373289
H -4.86812966 -3.23527854 -2.58338683
C -0.32087602 -2.15399412 0.94547187
C -1.43771848 -2.49448558 1.73790670
C 0.60236295 -3.21258884 0.83059200
C -1.61429499 -3.71874786 2.34508714
H -2.20087629 -1.74200860 1.89524554
C 0.44444446 -4.46891072 1.43092209
C -0.67029260 -4.72812418 2.19228005
H -2.49560249 -3.90259457 2.94677473
H -0.80753345 -5.69327315 2.65941248
C 1.03591724 -0.90489034 -1.57363647
C 2.05823703 -1.86667322 -1.46531421
C 1.05750299 -0.25945812 -2.83258354
C 3.04386961 -2.10541579 -2.43499436
C 2.01163421 -0.47361066 -3.80419946
H 0.27613169 0.44594654 -3.07115392
C 3.04401751 -1.38329380 -3.60350623
H 1.95688611 0.07362067 -4.73663232
H 3.80484387 -1.54117529 -4.35533539
C -0.39691783 1.54788705 -1.05870774
C -1.43751760 1.72987770 -2.00192429
C 0.47386113 2.65042112 -1.04090061
C -1.59385363 2.84426542 -2.79836744
H -2.13452349 0.91875674 -2.16577244
C 0.32539975 3.81105859 -1.81381708
C -0.72047509 3.92037362 -2.69622003
H -2.40350368 2.87993042 -3.51621579
H -0.84761975 4.80261416 -3.30735533
C 1.50813828 0.19336073 1.11698185
C 2.37347226 1.28937911 0.95208163
C 1.93249474 -0.63778014 2.18759463
C 3.55342916 1.50583868 1.68012893
C 3.05223628 -0.41521108 2.96041851
H 1.30516982 -1.46772488 2.48203034
C 3.91110917 0.64230551 2.68463413
H 3.27152058 -1.07741301 3.78816961
H 4.81141928 0.79609026 3.26235848
H -4.37519620 2.26976683 2.17952293
H -5.35801776 -1.25540979 -1.19060718
H 1.19139150 -5.24192914 1.28355953
H 3.80215543 -2.86183096 -2.25876561
H 1.04703112 4.61549437 -1.71543770
H 4.17396558 2.36544127 1.44816621
P -3.78453812 0.62927384 0.10197748
P 1.95921166 2.70632359 -0.05201496
P 2.12140497 -3.01788542 -0.09975321
C -4.21817445 2.05554080 -0.94459132
C -3.79761594 3.33696887 -0.61121025
C -4.99247449 1.85332634 -2.08303124
C -4.16651760 4.41048671 -1.40115665
H -3.17259079 3.48585221 0.25747167
C -5.35521938 2.93002925 -2.87070541
H -5.29831524 0.85153135 -2.35186552
C -4.94749000 4.20978234 -2.52750380
H -3.83696226 5.40579861 -1.14169111
H -5.95445352 2.77209021 -3.75578020
H -5.23156681 5.04935714 -3.14487273
C -5.36188665 0.20518220 0.90252988
C -5.37554367 -0.93838621 1.69678478
C -6.50341551 0.99144459 0.80530264
C -6.52245383 -1.29548001 2.37840871
H -4.48063196 -1.54239196 1.76390359
C -7.65047812 0.62843609 1.49017657
H -6.49720193 1.88454951 0.19515309
C -7.66202475 -0.51188573 2.27541100
H -6.53125726 -2.18392667 2.99232471
H -8.53718768 1.24063272 1.41111144
H -8.55913616 -0.78981259 2.80856401
C 1.75408223 4.08331294 1.10914629
C 0.46859760 4.24988346 1.62016530
C 2.79487022 4.87422988 1.58315887
C 0.22243099 5.21470926 2.57703036
H -0.32449026 3.60704818 1.26298000
C 2.53892498 5.84577632 2.53477044
H 3.80142449 4.73457125 1.21370951
C 1.25652829 6.01965566 3.02944450
H -0.77504736 5.33706413 2.97264900
H 3.34563456 6.46698751 2.89618057
H 1.06540519 6.77955936 3.77275534
C 3.34725948 3.01737359 -1.17243033
C 3.88980935 1.88221112 -1.77025337
C 3.81824926 4.27792335 -1.51985549
C 4.91254814 2.00522696 -2.68960655
H 3.48674144 0.91307794 -1.50862688
C 4.84926685 4.39352440 -2.43636395
H 3.38434098 5.16491211 -1.07881019
C 5.39866717 3.26212960 -3.01695714
H 5.32862682 1.12335788 -3.15370106
H 5.22318980 5.37201473 -2.70104877
H 6.20309735 3.36148283 -3.73067115
C 3.61280636 -2.73870433 0.90244179
C 4.55444779 -1.79522277 0.51134820
C 3.83484004 -3.51449699 2.03626105
C 5.71443171 -1.63423786 1.24617158
H 4.36836880 -1.18239699 -0.35854111
C 4.99645286 -3.34844604 2.76654476
H 3.09174338 -4.23652086 2.34496564
C 5.93870454 -2.41207541 2.37007264
H 6.44420717 -0.89827068 0.94186761
H 5.16972264 -3.94952035 3.64751740
H 6.84597357 -2.28549553 2.94239222
C 2.43416240 -4.63241508 -0.87786526
C 1.39295831 -5.16995706 -1.63054394
C 3.65436347 -5.29368754 -0.81629149
C 1.56908973 -6.36156899 -2.30598121
H 0.44802982 -4.64446601 -1.67020067
C 3.82518556 -6.48827977 -1.49516174
H 4.46884137 -4.87756539 -0.23881715
C 2.78661628 -7.02229123 -2.23890665
H 0.75970908 -6.77746467 -2.88757252
H 4.77463641 -7.00142728 -1.44465147
H 2.92612218 -7.95326258 -2.76821503
130
conf 160  E=-192.85757479 Eh  dE=4.617 kcal/mol  pop=0.00%
Ir -0.04194410 0.18361151 -0.02099133
C -1.52345920 1.31605628 0.99410783
C -1.12395684 2.32666123 1.89737344
C -2.91614009 1.31408902 0.78890343
C -1.98109671 3.22075318 2.50190390
H -0.07610348 2.40338040 2.15639439
C -3.80767585 2.23265288 1.36213644
C -3.34210891 3.19775701 2.22217912
H -1.59268991 3.95347692 3.19907074
H -4.01661802 3.91345396 2.67093912
C -1.32282917 -0.64437566 -1.49968507
C -2.72724543 -0.74185784 -1.46293493
C -0.78241903 -1.27150233 -2.64723788
C -3.51257706 -1.38415616 -2.43122759
C -1.52983018 -1.91909146 -3.60946771
H 0.28615822 -1.23540322 -2.80569473
C -2.91409169 -1.99291463 -3.50823891
H -1.03194570 -2.37027578 -4.45876381
H -3.50475166 -2.49576023 -4.26127833
C -0.57893190 -1.57997767 1.00601826
C -1.63338610 -1.55745618 1.95128220
C -0.16602143 -2.89765382 0.71695707
C -2.22548300 -2.68174959 2.48614535
H -1.96902130 -0.60149734 2.33093629
C -0.79628991 -4.05575005 1.19317840
C -1.85257488 -3.95312499 2.06463364
H -3.00247276 -2.57594201 3.23268956
H -2.35754936 -4.83356435 2.43641608
C 1.65208045 -0.59827586 -1.00861599
C 2.21217111 -1.88569252 -0.91341364
C 2.43622541 0.25324711 -1.82166170
C 3.41346405 -2.28542375 -1.51545633
C 3.60872927 -0.11717279 -2.44429742
H 2.08445232 1.25993847 -2.00771597
C 4.12722953 -1.39715299 -2.28195209
H 4.13232590 0.59523396 -3.06934483
H 5.05360761 -1.68827021 -2.75664179
C 0.01578184 2.01867398 -1.09730754
C -0.97031182 2.28340416 -2.07545087
C 0.81024864 3.15284453 -0.83495911
C -1.16476043 3.50503802 -2.68321864
H -1.61478713 1.47502262 -2.39184263
C 0.61734889 4.41432682 -1.41673490
C -0.38254798 4.60086063 -2.34014079
H -1.93937031 3.61611289 -3.43236163
H -0.54825368 5.56940549 -2.79078103
C 1.40294874 0.67397755 1.45051309
C 2.29273499 1.76575889 1.46151510
C 1.61891775 -0.18997468 2.54944249
C 3.27247524 1.99272837 2.43859618
C 2.57560063 0.00666999 3.52330487
H 0.99149715 -1.06457237 2.65402889
C 3.42343362 1.10691963 3.47846502
H 2.66484121 -0.70419876 4.33518248
H 4.17221152 1.26870581 4.24137069
H -4.86328517 2.19416061 1.11415571
H -4.59384935 -1.38717235 -2.33403335
H -0.45217587 -5.03017737 0.86272683
H 3.77240885 -3.29962680 -1.37402038
H 1.24281193 5.25104746 -1.12398888
H 3.90437344 2.87295651 2.37492191
P -3.70928803 0.04726955 -0.19246427
P 2.25492393 3.05153305 0.21578679
P 1.41552525 -3.22652305 -0.04247021
C -5.07863962 0.87955799 -1.05070009
C -4.75394513 2.02652535 -1.77105719
C -6.38908654 0.41925279 -1.03303045
C -5.73556636 2.70894355 -2.46245539
H -3.73053474 2.37668188 -1.76690098
C -7.36848722 1.10883255 -1.72771387
H -6.64361074 -0.47080143 -0.47305791
C -7.04452252 2.25101245 -2.44043679
H -5.48382644 3.60125460 -3.01643019
H -8.38856839 0.75345311 -1.70990540
H -7.81325952 2.78669807 -2.97755658
C -4.53860694 -1.20231292 0.83925429
C -4.56599008 -2.53779679 0.45492320
C -5.18544750 -0.80485617 2.00529866
C -5.25935141 -3.46065642 1.21671115
H -4.03362879 -2.85231754 -0.43087924
C -5.87148520 -1.73351268 2.76597484
H -5.13811659 0.22779476 2.32020816
C -5.91727599 -3.06026450 2.36804102
H -5.28245808 -4.49701226 0.91329817
H -6.37100071 -1.42285574 3.67227076
H -6.45817139 -3.78291786 2.96135572
C 2.38890049 4.64916166 1.07306020
C 1.23401629 5.15931493 1.66063746
C 3.58702701 5.34454347 1.18604976
C 1.27902805 6.35510794 2.35078717
H 0.30516925 4.61667056 1.55436990
C 3.62512496 6.54262185 1.87856809
H 4.48551216 4.95454460 0.72625508
C 2.47478901 7.04835572 2.46073645
H 0.38042395 6.75120698 2.80053985
H 4.55627734 7.08411371 1.96163822
H 2.50914217 7.98501217 2.99729432
C 3.78466961 2.96093986 -0.77166489
C 4.79692681 2.06791862 -0.44028710
C 3.94038757 3.80453604 -1.86770043
C 5.96443761 2.04102291 -1.18199419
H 4.66414262 1.39190938 0.39183119
C 5.10656494 3.76855743 -2.60914623
H 3.14338709 4.48054293 -2.14293244
C 6.12341157 2.89253519 -2.26268853
H 6.75000095 1.34770718 -0.91945244
H 5.22320772 4.42423258 -3.45984554
H 7.03534338 2.86881538 -2.84113598
C 2.52241421 -3.75030867 1.29807021
C 3.43965773 -2.83272475 1.80034118
C 2.39676338 -5.00071168 1.89766260
C 4.23178141 -3.16846352 2.88263303
H 3.51920181 -1.85857405 1.33931295
C 3.19577002 -5.33205494 2.97578594
H 1.67853740 -5.71425010 1.51837199
C 4.11291888 -4.41744718 3.47020236
H 4.94020289 -2.45164119 3.27091264
H 3.10096537 -6.30511433 3.43567342
H 4.73153717 -4.67976538 4.31586894
C 1.26471579 -4.62416496 -1.18594676
C 0.15728607 -4.62893235 -2.02948500
C 2.23832896 -5.60914516 -1.31160522
C 0.02176675 -5.61773612 -2.98495185
H -0.58402620 -3.84766271 -1.92637664
C 2.09428585 -6.59807377 -2.26866297
H 3.10161947 -5.60662868 -0.65951378
C 0.98951858 -6.60351523 -3.10473070
H -0.83738184 -5.61946209 -3.63937186
H 2.84851165 -7.36572283 -2.36452398
H 0.88468251 -7.37645041 -3.85180043
130
conf 161  E=-192.85721517 Eh  dE=4.843 kcal/mol  pop=0.00%
Ir 0.33105144 -0.13859197 -0.05105630
C -0.82903912 1.16898637 1.14218269
C -0.22907410 1.89851901 2.20186248
C -2.20422965 1.44759170 1.03944746
C -0.90342035 2.76844707 3.03229723
H 0.80830928 1.70560040 2.44011146
C -2.89887924 2.38063788 1.82405614
C -2.24700065 3.05866669 2.82365789
H -0.37993757 3.23964712 3.85406112
H -2.76772044 3.76990358 3.44893092
C -1.28137070 -1.17807371 -0.96477224
C -2.65958183 -0.92359599 -0.85282941
C -1.03014702 -2.24642711 -1.86023138
C -3.67117442 -1.66831741 -1.47728332
C -1.99890271 -2.97261827 -2.51760006
H -0.00581631 -2.49519990 -2.09810671
C -3.34759053 -2.71254888 -2.30657253
H -1.70607281 -3.75662431 -3.20422604
H -4.11336137 -3.29764314 -2.79582516
C 0.23545914 -1.54055474 1.58029441
C -0.41864224 -1.22942052 2.79519808
C 0.79641915 -2.83211023 1.62279236
C -0.45396508 -2.04783476 3.90552918
H -0.93374135 -0.28630513 2.88958194
C 0.77278758 -3.69059027 2.73076346
C 0.16196574 -3.29186455 3.89522825
H -0.96898329 -1.71208155 4.79682853
H 0.15014999 -3.93245540 4.76581437
C 1.74708643 -1.19655372 -1.22512144
C 2.17542450 -2.53314037 -1.09123243
C 2.44824762 -0.51748323 -2.24598721
C 3.13753451 -3.14964879 -1.90202501
C 3.40401684 -1.09537772 -3.05405294
H 2.21699762 0.52406522 -2.42554146
C 3.75571780 -2.43041068 -2.89652754
H 3.88595961 -0.50589962 -3.82387918
H 4.49836244 -2.89117542 -3.53270361
C 0.11356097 1.31097388 -1.57191980
C -0.58003926 1.03871679 -2.77505163
C 0.46400033 2.67160565 -1.46321814
C -0.93459643 1.99418104 -3.70282825
H -0.84013458 0.01562612 -3.00463027
C 0.11521887 3.66476533 -2.39124463
C -0.61159390 3.33317338 -3.50873323
H -1.46921101 1.70039643 -4.59710481
H -0.89666419 4.08653833 -4.23003324
C 2.11489545 0.67114111 0.71342173
C 2.57554208 1.99695452 0.59370052
C 3.05776594 -0.17098092 1.34085353
C 3.82332499 2.44622568 1.04842888
C 4.28609881 0.24518797 1.80512638
H 2.80402391 -1.21564708 1.48004029
C 4.68593432 1.56914175 1.66087485
H 4.95164396 -0.46215267 2.28432738
H 5.65187869 1.90050355 2.01538778
H -3.95676322 2.54651035 1.64450105
H -4.71083904 -1.41757369 -1.29849373
H 1.23618894 -4.66883141 2.66800724
H 3.40350357 -4.18876034 -1.73954814
H 0.42875492 4.69117252 -2.22670582
H 4.11652148 3.48072979 0.90363147
P -3.32133486 0.47305719 0.04296092
P 1.57015220 3.25686387 -0.18543300
P 1.46298410 -3.60598444 0.15519638
C -4.16560660 1.57114191 -1.12610795
C -3.44997643 2.68079986 -1.56611615
C -5.42505258 1.30747832 -1.65598819
C -3.99361835 3.52818088 -2.51197612
H -2.46476982 2.85930031 -1.15955192
C -5.96448729 2.16040955 -2.60192448
H -5.98635877 0.44273552 -1.33101872
C -5.25292390 3.26996706 -3.02940843
H -3.43314594 4.38693595 -2.85001043
H -6.94413347 1.95723777 -3.00976035
H -5.68052703 3.93074816 -3.76898542
C -4.52839022 -0.21585428 1.20705122
C -4.09525633 -1.34240048 1.90363761
C -5.77043955 0.33938158 1.48738552
C -4.91066622 -1.92336103 2.85424186
H -3.11304436 -1.74356751 1.68857544
C -6.58620211 -0.25332527 2.43617005
H -6.10102223 1.22827043 0.96732232
C -6.16155786 -1.38355505 3.11478887
H -4.57340282 -2.79600034 3.39391484
H -7.55705091 0.17069949 2.64809507
H -6.80425833 -1.84130823 3.85222420
C 0.75436148 4.40483146 0.96537062
C -0.51225403 4.90403758 0.69077484
C 1.44156418 4.83479524 2.09691032
C -1.08699425 5.82936869 1.54276641
H -1.04752402 4.55737132 -0.18116924
C 0.86203688 5.76050333 2.94351415
H 2.42021054 4.43003272 2.31400742
C -0.40078706 6.26088793 2.66581278
H -2.07392299 6.21379714 1.33052983
H 1.39349105 6.09273862 3.82369619
H -0.85166161 6.98355999 3.33002008
C 2.74559883 4.33545131 -1.06206727
C 3.57084735 3.71535061 -1.99707148
C 2.82329222 5.70975820 -0.87592507
C 4.46965748 4.46314413 -2.73181582
H 3.49917346 2.64384258 -2.13035134
C 3.72739656 6.45439167 -1.61452896
H 2.18146090 6.19770712 -0.15502051
C 4.54921438 5.83463854 -2.54037350
H 5.11005944 3.98052286 -3.45515507
H 3.78815025 7.52283563 -1.46584842
H 5.25203828 6.42061901 -3.11399912
C 2.77510788 -4.74789992 0.67671280
C 2.57813609 -6.11772289 0.80613371
C 4.00301882 -4.18876954 1.02166752
C 3.60826405 -6.92121957 1.26367298
H 1.62172456 -6.55346102 0.55045312
C 5.02715385 -4.99617499 1.47771482
H 4.14460469 -3.12133025 0.91788785
C 4.83110395 -6.36360307 1.59787083
H 3.45365497 -7.98592523 1.36176758
H 5.98014298 -4.56156844 1.74080532
H 5.63163893 -6.99490464 1.95403117
C 0.14064744 -4.68166026 -0.48481671
C 0.37657050 -5.49774078 -1.58719865
C -1.11060323 -4.68088599 0.12022674
C -0.62875015 -6.31735960 -2.06539676
H 1.34491539 -5.48331735 -2.06880681
C -2.11293776 -5.50042163 -0.36466677
H -1.29538310 -4.03061175 0.96251788
C -1.87288719 -6.32140288 -1.45361709
H -0.44506399 -6.95292387 -2.91968231
H -3.08547934 -5.49332078 0.10522291
H -2.65716459 -6.96063944 -1.83174838
130
conf 162  E=-192.85698768 Eh  dE=4.985 kcal/mol  pop=0.00%
Ir -0.11303177 -0.36498931 -0.01868825
C -1.16414079 0.57946753 1.54754590
C -0.59001593 0.79594370 2.82200598
C -2.45405550 1.13383042 1.45063238
C -1.18533429 1.52802668 3.82828719
H 0.36835481 0.34716674 3.04351537
C -3.06928553 1.90896815 2.44382263
C -2.42243252 2.13323000 3.63489066
H -0.68126673 1.63807354 4.78063974
H -2.87799705 2.73409027 4.40955152
C -1.80924895 -1.24026459 -0.87718807
C -3.13812155 -0.78113114 -0.79296493
C -1.69579083 -2.44432982 -1.60322560
C -4.23607560 -1.43080607 -1.37246890
C -2.75745012 -3.10287162 -2.18385909
H -0.70920513 -2.87295489 -1.73043761
C -4.04867886 -2.59924543 -2.07215076
H -2.59001392 -4.02058695 -2.73380993
H -4.88625273 -3.11287733 -2.52285443
C -0.20631776 -2.17272427 1.09715411
C -1.30385434 -2.38040261 1.96335440
C 0.60591611 -3.32000998 0.99747773
C -1.54913008 -3.54805601 2.65207643
H -2.00488571 -1.57015614 2.11273875
C 0.37406505 -4.52563134 1.67494001
C -0.70725792 -4.64491360 2.51316936
H -2.41049991 -3.61697847 3.30468038
H -0.89989332 -5.56779738 3.04195588
C 1.16266683 -1.13343477 -1.55404868
C 2.06958274 -2.20432964 -1.42384649
C 1.29321097 -0.50260465 -2.81403276
C 3.02703576 -2.57050050 -2.38306269
C 2.21856924 -0.84379951 -3.77776358
H 0.61576104 0.29973923 -3.06558224
C 3.12176307 -1.87770519 -3.56435388
H 2.24063568 -0.30004466 -4.71430534
H 3.85942105 -2.14239013 -4.30895227
C -0.41192966 1.37109091 -1.21782753
C -1.31296803 1.32932808 -2.31591887
C 0.19832721 2.63549691 -1.11475693
C -1.57582317 2.38378340 -3.16437839
H -1.79184498 0.39095905 -2.55882589
C -0.08677847 3.74034693 -1.93153137
C -0.98693292 3.62581857 -2.96089612
H -2.25213647 2.24428095 -3.99790691
H -1.20804207 4.46286710 -3.60773465
C 1.64864126 0.32507445 0.93944502
C 2.20465235 1.61697562 0.95501140
C 2.34165131 -0.54279293 1.81487521
C 3.31502665 2.00660309 1.71869588
C 3.42806486 -0.19023275 2.58591408
H 1.97612696 -1.55469565 1.93184623
C 3.93769042 1.10241704 2.54261165
H 3.88371427 -0.92366344 3.23937931
H 4.78746388 1.38814064 3.14619482
H -4.05752003 2.32285520 2.27072026
H -5.23488010 -1.02312191 -1.25911107
H 1.03578471 -5.37170641 1.52251858
H 3.69221108 -3.40582937 -2.18751608
H 0.42739689 4.67952869 -1.75971783
H 3.66822284 3.03138514 1.66431953
P -3.53366012 0.73194060 0.08314668
P 1.58800652 2.96584424 -0.03974648
P 2.06755273 -3.33449766 -0.03742540
C -3.83576483 2.18629297 -0.96225480
C -3.31262020 3.42185323 -0.60286697
C -4.64364526 2.06981252 -2.08956330
C -3.60504714 4.53777142 -1.36574863
H -2.66868608 3.49843533 0.26216524
C -4.93133473 3.18940939 -2.84656440
H -5.03284694 1.10136352 -2.37181855
C -4.41723476 4.42431282 -2.48208688
H -3.19758744 5.49884352 -1.08796537
H -5.55794335 3.10177632 -3.72247904
H -4.64624642 5.29801279 -3.07452144
C -5.15191283 0.41255337 0.85137187
C -5.23807857 -0.72749667 1.64720333
C -6.25444896 1.24651012 0.71858501
C -6.41912907 -1.03502583 2.29305001
H -4.37155388 -1.36859624 1.74170555
C -7.43701659 0.93215852 1.36716111
H -6.19117849 2.13737315 0.10855807
C -7.52164609 -0.20554256 2.15147753
H -6.48427582 -1.92140833 2.90655228
H -8.29502727 1.57971418 1.25881981
H -8.44696794 -0.44636168 2.65361383
C 1.18553358 4.37140463 1.03256723
C 1.30637621 5.69981671 0.63546328
C 0.63936477 4.06807000 2.27650766
C 0.90674164 6.71128956 1.49107482
H 1.71731514 5.94753327 -0.33366088
C 0.23624844 5.08329480 3.12290954
H 0.53274741 3.03125826 2.56481549
C 0.37482897 6.40630497 2.73364325
H 1.01032829 7.74268673 1.18605776
H -0.18682165 4.84111943 4.08636505
H 0.06675718 7.20146600 3.39650520
C 2.97287598 3.42756416 -1.11729230
C 3.12187879 2.66031658 -2.27039837
C 3.92512469 4.38881653 -0.79758652
C 4.19506945 2.87755313 -3.11232616
H 2.39290005 1.89140232 -2.48831333
C 4.99480757 4.60487077 -1.64922201
H 3.83561713 4.96800665 0.11133820
C 5.12837515 3.85646506 -2.80700345
H 4.30634742 2.28098072 -4.00552831
H 5.72973422 5.35836173 -1.40512738
H 5.96507504 4.03138113 -3.46721714
C 3.63453222 -3.18984260 0.88229402
C 4.60297456 -2.27594023 0.48388331
C 3.85866274 -3.99719414 1.99322629
C 5.79715045 -2.19180861 1.17644390
H 4.41155687 -1.62826335 -0.35957169
C 5.05248837 -3.90433699 2.68457567
H 3.09578367 -4.69154303 2.31657529
C 6.02545579 -3.00707673 2.27283085
H 6.54867231 -1.48183214 0.86397042
H 5.22511935 -4.53217290 3.54669258
H 6.95837481 -2.93845040 2.81294410
C 2.14930254 -5.00373653 -0.75774127
C 3.31296973 -5.76283940 -0.78627144
C 0.98956461 -5.49626566 -1.35020286
C 3.30972985 -7.00770744 -1.39166005
H 4.21903210 -5.38470542 -0.33191358
C 0.99215813 -6.73848380 -1.95398250
H 0.08773374 -4.90022751 -1.31917986
C 2.15274703 -7.49672434 -1.97428126
H 4.21535995 -7.59669128 -1.40942214
H 0.08925493 -7.11893756 -2.40841750
H 2.15522802 -8.46891780 -2.44448810
130
conf 163  E=-192.85676815 Eh  dE=5.123 kcal/mol  pop=0.00%
Ir 0.45727774 -0.07317278 0.00665968
C -0.80936977 1.19473580 1.18560610
C -0.26496256 1.96591382 2.24778400
C -2.21010348 1.31442643 1.15205947
C -0.99681847 2.73840184 3.12489980
H 0.79752150 1.91238611 2.43960532
C -2.97985181 2.12023292 2.00532211
C -2.37606165 2.84752678 2.99950754
H -0.49013844 3.26609844 3.92286700
H -2.95312101 3.46370876 3.67426789
C -1.10394316 -1.09429319 -1.02926895
C -2.48438950 -0.82866282 -1.02352607
C -0.78083047 -2.07299304 -2.00161260
C -3.43509714 -1.45547081 -1.84310126
C -1.68744643 -2.69929521 -2.83030215
H 0.25927413 -2.32492286 -2.15813037
C -3.04273297 -2.40303497 -2.75479231
H -1.33795006 -3.42337720 -3.55553025
H -3.75873463 -2.88891684 -3.40228259
C 0.28027713 -1.49876128 1.58601522
C -0.20864380 -1.17137624 2.87274531
C 0.45758892 -2.88956361 1.44594162
C -0.55401841 -2.08972087 3.84218589
H -0.31652048 -0.13082350 3.13916901
C 0.10333877 -3.84845058 2.40742439
C -0.43475993 -3.45430053 3.60751287
H -0.92517466 -1.74221468 4.79854514
H -0.72735271 -4.18007159 4.35341597
C 1.96733600 -1.12684118 -1.02090006
C 2.30312337 -2.49233713 -0.92305739
C 2.86831140 -0.41467553 -1.84308843
C 3.39473287 -3.09219128 -1.56571520
C 3.94322326 -0.98009271 -2.49376385
H 2.70647348 0.64571732 -1.98751598
C 4.22268165 -2.33505431 -2.35896673
H 4.58223793 -0.36428605 -3.11403547
H 5.06950730 -2.78216698 -2.86036349
C 0.36675611 1.30726535 -1.60080147
C -0.11988445 0.96758713 -2.88479980
C 0.65580458 2.68084475 -1.50224282
C -0.37512360 1.87818603 -3.88906609
H -0.29841327 -0.07213664 -3.11641368
C 0.38410313 3.63335244 -2.49476224
C -0.16525307 3.23832684 -3.69009623
H -0.74983667 1.52995996 -4.84359193
H -0.39467023 3.95929337 -4.46236606
C 2.14106778 0.80022181 0.89244757
C 2.55449465 2.14401704 0.79159323
C 3.03634915 0.01380284 1.64779320
C 3.71125598 2.66287817 1.38776318
C 4.17984863 0.49851494 2.24484816
H 2.80506415 -1.03488721 1.78691519
C 4.53182372 1.83773382 2.11973787
H 4.81280942 -0.16576410 2.81967193
H 5.42863951 2.22249178 2.58465479
H -4.05816686 2.14532200 1.88730320
H -4.47949669 -1.17141512 -1.76279952
H 0.25850891 -4.90244212 2.19839677
H 3.59657717 -4.14885150 -1.42499302
H 0.61072074 4.67931087 -2.31471034
H 3.96756340 3.70955316 1.26310442
P -3.25385728 0.36487159 0.05796380
P 1.57848514 3.33964311 -0.12138222
P 1.30817564 -3.61809213 0.05316534
C -4.17037379 1.56167515 -0.94607578
C -3.52641707 1.99538825 -2.10255463
C -5.37163758 2.14628272 -0.55949593
C -4.09261757 2.98862173 -2.87801015
H -2.58026336 1.54767354 -2.37783694
C -5.93661920 3.13497615 -1.34624998
H -5.86674016 1.83304539 0.34941910
C -5.30164451 3.55500886 -2.50373243
H -3.58837461 3.32272874 -3.77250202
H -6.87483143 3.58269999 -1.05154079
H -5.74833000 4.32838476 -3.11113287
C -4.38943332 -0.60151785 1.08802894
C -3.81378058 -1.20639759 2.20341719
C -5.71027840 -0.87766295 0.75320074
C -4.56333838 -2.05711527 2.99227247
H -2.77506230 -1.00696239 2.43361565
C -6.45705520 -1.72532838 1.55318664
H -6.15649784 -0.43725529 -0.12789270
C -5.88821491 -2.31192006 2.67171040
H -4.11263933 -2.52577748 3.85447088
H -7.48609614 -1.93380724 1.29801868
H -6.47669121 -2.97448152 3.28922339
C 0.52868379 4.43729920 0.87529766
C -0.79524225 4.64813532 0.51008939
C 1.06320486 5.09526264 1.97870877
C -1.57864943 5.51901051 1.24424969
H -1.20743230 4.11545295 -0.33551244
C 0.27418099 5.96573741 2.70676652
H 2.08989896 4.91374475 2.26593799
C -1.04473615 6.18074784 2.33810913
H -2.60904827 5.67998554 0.96284229
H 0.68605721 6.47806765 3.56434679
H -1.65826931 6.86173130 2.90954425
C 2.79257278 4.46077481 -0.88159043
C 3.79013060 3.85632323 -1.64308633
C 2.73495563 5.84557246 -0.79407984
C 4.72687845 4.62967286 -2.29955765
H 3.82167460 2.77647342 -1.70470503
C 3.67783993 6.61635766 -1.45342303
H 1.95716673 6.32107736 -0.21200842
C 4.67204810 6.01218601 -2.20396318
H 5.50035590 4.15810372 -2.88748097
H 3.63328982 7.69344508 -1.38168393
H 5.40390341 6.61863331 -2.71674991
C 2.48278275 -4.79670769 0.78792322
C 2.33541791 -6.17639051 0.72360538
C 3.54648513 -4.24684036 1.49892512
C 3.25409545 -6.99677889 1.35635317
H 1.50706671 -6.60945018 0.17918922
C 4.45876106 -5.06947476 2.12957551
H 3.64890575 -3.17065313 1.54156324
C 4.31365626 -6.44683073 2.05771377
H 3.13987044 -8.06976935 1.30242370
H 5.28373306 -4.64027623 2.67869571
H 5.02650774 -7.09155229 2.55017584
C 0.17584579 -4.67131146 -0.90675991
C 0.64495036 -5.34176133 -2.03225778
C -1.15117441 -4.80956241 -0.51847596
C -0.20728208 -6.15814350 -2.75249001
H 1.67242885 -5.21400081 -2.34431387
C -1.99734548 -5.63020067 -1.24145058
H -1.51696177 -4.26136025 0.33809440
C -1.52685732 -6.30714547 -2.35479301
H 0.15607846 -6.67783203 -3.62736238
H -3.02899327 -5.73560871 -0.93955078
H -2.19024247 -6.94562043 -2.91960387
130
conf 164  E=-192.85675126 Eh  dE=5.134 kcal/mol  pop=0.00%
Ir 0.03531833 -0.15351808 0.13238946
C -1.28893544 0.92766153 1.39225843
C -0.81171666 1.57392014 2.55868421
C -2.64926614 1.20641514 1.16126512
C -1.56646370 2.41122371 3.35333593
H 0.20512782 1.39212664 2.87530249
C -3.44419379 2.04273924 1.96000828
C -2.89897978 2.67180928 3.05262115
H -1.11831823 2.86505373 4.22855562
H -3.49470037 3.32693873 3.67278707
C -1.45216190 -1.23258031 -0.88952029
C -2.84841151 -1.05293669 -0.86845513
C -1.07233608 -2.38006537 -1.61709509
C -3.76987260 -1.93515763 -1.44970798
C -1.95156017 -3.23615646 -2.24292411
H -0.01444394 -2.59915792 -1.71678877
C -3.32364389 -3.03421485 -2.14418001
H -1.57481653 -4.07943732 -2.80778638
H -4.02124270 -3.72008599 -2.60403103
C -0.12896688 -1.84996458 1.40827546
C -1.08182766 -1.86578737 2.45343967
C 0.55705599 -3.07589531 1.31295400
C -1.30658364 -2.93415627 3.29545413
H -1.67407619 -0.97870593 2.62791418
C 0.36684922 -4.17068092 2.16929881
C -0.57297078 -4.10764213 3.16917461
H -2.05565655 -2.85484972 4.07357511
H -0.73183575 -4.94230537 3.83745612
C 1.62656445 -0.85843214 -1.07937121
C 2.40484432 -2.02034530 -0.89456822
C 2.18926146 0.00170481 -2.05075470
C 3.64007133 -2.25923194 -1.51427557
C 3.36857261 -0.23975319 -2.72200982
H 1.66124218 0.91048084 -2.30911639
C 4.13383548 -1.36259764 -2.43064848
H 3.71309052 0.46286066 -3.47043082
H 5.08457579 -1.53263686 -2.91662758
C -0.24748719 1.51822908 -1.12954064
C -1.16557216 1.46157330 -2.20501242
C 0.21684343 2.83252928 -0.90582225
C -1.60281663 2.56205282 -2.91299462
H -1.50853609 0.49364225 -2.54551547
C -0.28674855 3.97507185 -1.54187547
C -1.22239214 3.84554594 -2.54033271
H -2.27280676 2.42941082 -3.75307269
H -1.62616323 4.71388165 -3.04188807
C 1.68043513 0.60577413 1.23786086
C 2.27742933 1.87571705 1.15116455
C 2.32365389 -0.20937552 2.19894985
C 3.36280105 2.30961446 1.92657873
C 3.39412208 0.18678136 2.97264003
H 1.94502425 -1.20841502 2.36769095
C 3.93066497 1.46352667 2.84752353
H 3.81702988 -0.50083585 3.69494339
H 4.76407230 1.78188859 3.45776278
H -4.49404919 2.17927449 1.71927940
H -4.83495590 -1.75981717 -1.33800973
H 0.96974950 -5.06443224 2.04318444
H 4.21752476 -3.14027967 -1.25343738
H 0.05289783 4.95890333 -1.23367701
H 3.74793452 3.31599871 1.79506529
P -3.58516044 0.39900122 -0.13011363
P 1.73661238 3.11583223 -0.01369813
P 1.80380738 -3.40053584 0.07086519
C -4.17666248 1.59754884 -1.36473847
C -4.08635800 2.96400243 -1.12627488
C -4.75782701 1.13778959 -2.54272491
C -4.59883836 3.86000770 -2.04671933
H -3.60136838 3.32155562 -0.22976865
C -5.26121934 2.03917701 -3.46225052
H -4.80088741 0.07650133 -2.74145100
C -5.19038594 3.40055521 -3.21184221
H -4.53092511 4.92110258 -1.85653040
H -5.70895076 1.68014674 -4.37771654
H -5.58782313 4.10246208 -3.93030785
C -5.10208096 -0.18770208 0.68079699
C -4.93634739 -1.20060485 1.62240715
C -6.36489382 0.33639922 0.43810244
C -6.02949940 -1.68719322 2.31172573
H -3.94449289 -1.59784421 1.79565428
C -7.45699480 -0.15722860 1.13185001
H -6.49361892 1.12446453 -0.29188298
C -7.29123516 -1.16548614 2.06636103
H -5.90194919 -2.47346572 3.04102328
H -8.44025004 0.24811886 0.94178490
H -8.14667664 -1.54580017 2.60489768
C 1.61305078 4.69605378 0.86530479
C 2.57950789 5.69185001 0.79465766
C 0.50837156 4.85174584 1.69834840
C 2.43315912 6.84217335 1.55075191
H 3.43956420 5.56794398 0.15001819
C 0.37011999 6.00171148 2.45114794
H -0.22816401 4.05994253 1.74568285
C 1.33252143 6.99772005 2.37739355
H 3.18271948 7.61836750 1.49666492
H -0.48622504 6.12232853 3.09808724
H 1.22600558 7.89641879 2.96692152
C 3.06571697 3.32618693 -1.24038073
C 2.94759789 4.29337914 -2.23552416
C 4.18147659 2.49699765 -1.21777318
C 3.94347596 4.43933911 -3.18243069
H 2.07337241 4.92757600 -2.26909292
C 5.17633139 2.64962212 -2.16709099
H 4.26293738 1.72951352 -0.46232187
C 5.06140190 3.62016848 -3.14784117
H 3.84824894 5.19248777 -3.95113253
H 6.04010777 2.00163611 -2.14436473
H 5.83784022 3.73622226 -3.88974080
C 3.23685663 -4.13483255 0.91515714
C 3.45815266 -5.50642310 0.96186762
C 4.10380623 -3.27015532 1.57791641
C 4.54030532 -6.00575305 1.66572094
H 2.79059743 -6.18152726 0.44279197
C 5.18108970 -3.77526327 2.28007981
H 3.92581598 -2.20481403 1.52679764
C 5.40011125 -5.14362112 2.32571155
H 4.71256092 -7.07180227 1.69840228
H 5.85287956 -3.10227874 2.79234585
H 6.24278498 -5.53852857 2.87383151
C 1.21584075 -4.74337344 -1.01720583
C 1.98991828 -5.12474349 -2.10948200
C 0.00923356 -5.38974561 -0.77196558
C 1.57056724 -6.15325214 -2.93253378
H 2.91549551 -4.60885986 -2.31935366
C -0.40206920 -6.42241908 -1.59574335
H -0.61083875 -5.07425149 0.05427182
C 0.37758972 -6.80911661 -2.67315151
H 2.17536142 -6.44398330 -3.77907853
H -1.33936244 -6.92194232 -1.39861888
H 0.05320074 -7.61474709 -3.31531788
130
conf 165  E=-192.85666282 Eh  dE=5.189 kcal/mol  pop=0.00%
Ir -0.13420736 0.04470184 0.13016349
C -1.56804129 1.04783206 1.33783604
C -1.14438182 1.91834133 2.36930551
C -2.96881168 1.05396302 1.19626527
C -1.98792266 2.67312465 3.15616188
H -0.08696541 1.99647146 2.57898113
C -3.85246797 1.79666849 1.99338974
C -3.36554376 2.61814028 2.98043667
H -1.57385527 3.30968578 3.92832689
H -4.03316738 3.19756756 3.60249756
C -1.49156776 -1.00755843 -1.11255290
C -2.88889794 -1.12631605 -0.95939957
C -0.98868675 -1.92059629 -2.06866063
C -3.67937816 -2.09742975 -1.59078568
C -1.75361678 -2.84190367 -2.75080976
H 0.06670815 -1.89586945 -2.30644172
C -3.11216272 -2.96985686 -2.48736989
H -1.28804452 -3.48690132 -3.48546073
H -3.70834384 -3.72537653 -2.97999593
C -0.31887379 -1.73799695 1.26733844
C -1.36472570 -1.87094972 2.21078980
C 0.49841736 -2.88146312 1.23306705
C -1.55572629 -2.97242424 3.01845204
H -2.05764460 -1.04993711 2.33671832
C 0.33303915 -4.01421135 2.04332984
C -0.69927111 -4.06558648 2.94825941
H -2.37741928 -2.98296209 3.72410274
H -0.83859793 -4.92657769 3.58670048
C 1.49846745 -0.55353532 -1.07503924
C 2.39485654 -1.61305011 -0.81738736
C 1.94209241 0.26051741 -2.14438569
C 3.65152606 -1.75972945 -1.41971942
C 3.13361215 0.08133254 -2.81646281
H 1.28786389 1.04011736 -2.51102549
C 4.03903746 -0.89244933 -2.41328241
H 3.38054378 0.72275633 -3.65306682
H 5.00572412 -0.98516563 -2.88821180
C -0.30390864 1.85257768 -0.93091023
C -1.46329349 2.07489527 -1.70381677
C 0.54439492 2.97598813 -0.90629516
C -1.74347998 3.24612659 -2.37310582
H -2.17977956 1.26598315 -1.80337137
C 0.25947435 4.19825217 -1.53074209
C -0.88840594 4.33792544 -2.27382810
H -2.64171497 3.32359939 -2.97262795
H -1.11794787 5.27126921 -2.76855215
C 1.41902647 0.68025487 1.43524084
C 2.33188789 1.73042747 1.22358168
C 1.71521584 -0.04035322 2.61795982
C 3.42197869 2.02736959 2.05604404
C 2.78858456 0.21854373 3.44441708
H 1.05321796 -0.83795381 2.92184973
C 3.67177715 1.25539228 3.16437315
H 2.94015500 -0.38739934 4.32914000
H 4.51303814 1.46407919 3.81043618
H -4.92222228 1.71703150 1.82909474
H -4.73480359 -2.17770997 -1.35265356
H 1.02545858 -4.84528052 1.95192745
H 4.32051513 -2.54858169 -1.09043159
H 0.93579126 5.03889400 -1.41472039
H 4.05916796 2.87618616 1.82724583
P -3.83338067 0.07183688 -0.02500595
P 2.13863956 2.91800444 -0.09822496
P 1.85226706 -3.05589196 0.08287716
C -4.73628598 1.19931987 -1.14038502
C -4.61703687 2.57879175 -1.01090433
C -5.55294414 0.67163046 -2.13682702
C -5.32223953 3.41686522 -1.85618330
H -3.96494998 2.99176039 -0.25524081
C -6.25143908 1.51402194 -2.98141108
H -5.63976778 -0.39873657 -2.25245925
C -6.14156203 2.88829898 -2.83971096
H -5.22654814 4.48744735 -1.74849011
H -6.88424313 1.09803964 -3.75181215
H -6.69065016 3.54469550 -3.49871085
C -5.15788351 -0.82893280 0.83523583
C -4.81877115 -2.01643106 1.47801927
C -6.45769282 -0.34292749 0.92277991
C -5.77141367 -2.70821165 2.20114638
H -3.80705834 -2.38931583 1.39683273
C -7.40751256 -1.04144542 1.64742799
H -6.72942888 0.57466659 0.41777741
C -7.06642333 -2.22093567 2.28835886
H -5.50521201 -3.62989909 2.69747041
H -8.41735508 -0.66293757 1.71206190
H -7.81102147 -2.76162231 2.85379095
C 2.33663342 4.54472028 0.68762505
C 1.32555309 4.92136540 1.56856597
C 3.42740318 5.37942107 0.48327925
C 1.40488598 6.12848576 2.23449218
H 0.48252221 4.25810902 1.71328093
C 3.49983385 6.58924267 1.15319434
H 4.21435403 5.08622805 -0.19883698
C 2.49249556 6.96397370 2.02627325
H 0.62017348 6.42179018 2.91609088
H 4.34654388 7.24077284 0.99251199
H 2.55461018 7.90883187 2.54572565
C 3.52900643 2.81347256 -1.26729010
C 4.64747469 2.04360204 -0.96933760
C 3.48562708 3.53973718 -2.45362771
C 5.72370848 2.02533193 -1.83751629
H 4.66551897 1.44995571 -0.06710474
C 4.56194610 3.51098240 -3.32098172
H 2.60413755 4.11420846 -2.69975207
C 5.68566581 2.76158635 -3.01013476
H 6.59315025 1.42990063 -1.60038542
H 4.52508657 4.07369819 -4.24261478
H 6.52716200 2.74485200 -3.68718761
C 3.27311804 -3.74006946 0.97592570
C 3.94330587 -2.86296562 1.82485654
C 3.67362566 -5.06724560 0.88551056
C 5.01529093 -3.31210260 2.57134836
H 3.60872147 -1.83520140 1.88706263
C 4.74972667 -5.50952395 1.63582538
H 3.14768584 -5.74847788 0.22991194
C 5.42008158 -4.63534737 2.47559108
H 5.53670505 -2.63240009 3.22902356
H 5.06487884 -6.54050088 1.56537230
H 6.25910224 -4.98677726 3.05787975
C 1.36405760 -4.31926572 -1.13378951
C 0.09447752 -4.88440621 -1.09055616
C 2.25105944 -4.69538825 -2.13939827
C -0.27298825 -5.83246623 -2.02869385
H -0.60423781 -4.57442509 -0.32768125
C 1.87737906 -5.64141295 -3.07498822
H 3.23011328 -4.24078346 -2.19082789
C 0.61635405 -6.21483760 -3.01867890
H -1.26081173 -6.26737313 -1.98996878
H 2.56928724 -5.93130606 -3.85241202
H 0.32685805 -6.95362975 -3.75157358
130
conf 166  E=-192.85665302 Eh  dE=5.195 kcal/mol  pop=0.00%
Ir -0.18640844 0.38190821 0.01634240
C -1.69046256 1.41543823 1.07264260
C -1.33458398 2.50830587 1.89307465
C -3.08669039 1.23666556 1.00079369
C -2.23622187 3.30375369 2.56619383
H -0.28407414 2.73732123 2.01831854
C -4.02650688 2.03280122 1.66941857
C -3.60292824 3.07415293 2.45976129
H -1.88005087 4.11888341 3.18352505
H -4.31547454 3.69829004 2.98054176
C -1.47523269 -0.29661144 -1.53957652
C -2.83992444 -0.61201346 -1.38999964
C -1.00987803 -0.62459928 -2.83468254
C -3.62692872 -1.26131505 -2.35307155
C -1.76322411 -1.24868084 -3.80705704
H 0.00223754 -0.36347715 -3.10565273
C -3.08312309 -1.60984076 -3.56489587
H -1.31925691 -1.46184466 -4.77175242
H -3.67151492 -2.12162409 -4.31360729
C -0.57617415 -1.43488561 1.06894089
C -1.57015061 -1.46362633 2.07965794
C 0.11746196 -2.65689934 1.01260804
C -1.84372445 -2.54207282 2.89400901
H -2.13280471 -0.56219396 2.28042076
C -0.15022634 -3.77970995 1.81032720
C -1.14188821 -3.73325619 2.75762581
H -2.61101218 -2.45791821 3.65324879
H -1.35568174 -4.58450665 3.38826899
C 1.43423090 -0.35905828 -1.16648954
C 2.04039793 -1.62807503 -1.14010016
C 1.97306962 0.43563763 -2.21282286
C 3.07986729 -2.05010470 -1.98332060
C 2.96620438 0.03587618 -3.08201739
H 1.54565392 1.41136039 -2.39838826
C 3.55876206 -1.21487904 -2.96085789
H 3.28955274 0.70582803 -3.86848311
H 4.35074412 -1.52645332 -3.62697671
C -0.02846796 2.26734060 -0.89156173
C -1.11474019 2.78662488 -1.62821453
C 1.04589192 3.17514437 -0.80593563
C -1.12864034 4.03162799 -2.21828131
H -1.99220233 2.16503573 -1.75554739
C 1.05789076 4.44706525 -1.39385428
C -0.03452763 4.88199722 -2.10556855
H -1.99833650 4.35553853 -2.77609316
H -0.04154367 5.86133191 -2.56305043
C 1.18693414 0.81200745 1.57731145
C 2.33470003 1.61707758 1.44889370
C 1.11822133 0.20406572 2.85275198
C 3.35275934 1.72538331 2.40744493
C 2.09241307 0.31021062 3.82376387
H 0.24300090 -0.37587774 3.10675174
C 3.25014621 1.04556460 3.59643279
H 1.95577542 -0.18970698 4.77479649
H 4.03017521 1.10770843 4.34238937
H -5.08753739 1.83938359 1.55218128
H -4.66700932 -1.48465983 -2.13694666
H 0.44589547 -4.67783095 1.68597280
H 3.48670006 -3.04968394 -1.87012887
H 1.92023585 5.09465440 -1.27655308
H 4.21761282 2.34973832 2.20663446
P -3.79510979 -0.09130692 0.02851442
P 2.54426110 2.74628423 0.07958819
P 1.49737415 -2.95858754 -0.07979389
C -5.34039868 0.57918707 -0.65793013
C -5.24337563 1.78920477 -1.34049341
C -6.56472584 -0.07240017 -0.57940932
C -6.36257576 2.34702697 -1.92634791
H -4.28420147 2.28665465 -1.39477052
C -7.68381560 0.49169847 -1.16815871
H -6.64464845 -1.01658743 -0.05767688
C -7.58544338 1.69883126 -1.83909711
H -6.28512394 3.28759237 -2.45138517
H -8.63577145 -0.01502272 -1.10286148
H -8.46184283 2.13487308 -2.29528617
C -4.33731368 -1.53622486 0.99155279
C -3.99838152 -2.81950137 0.58054999
C -5.10416315 -1.35146596 2.13789411
C -4.43976798 -3.91178174 1.30457715
H -3.37780673 -2.95373343 -0.29409479
C -5.54036635 -2.44788384 2.85815514
H -5.34787301 -0.35001380 2.46512503
C -5.21278374 -3.72818045 2.43946405
H -4.17420045 -4.90907995 0.98604362
H -6.13489314 -2.30541337 3.74910914
H -5.55481545 -4.58296272 3.00436729
C 3.10358186 4.29928365 0.84426049
C 2.16546831 4.97289748 1.62291382
C 4.39560870 4.79711210 0.73591864
C 2.51389571 6.13869235 2.27563899
H 1.16275214 4.57370710 1.69966789
C 4.73918072 5.96762277 1.39136228
H 5.13102316 4.27386801 0.13980835
C 3.80228634 6.63857566 2.15875488
H 1.78349539 6.66033309 2.87626117
H 5.74367514 6.35541719 1.30260447
H 4.07585634 7.55110880 2.66744197
C 3.94720889 2.23991851 -0.95866093
C 4.68754585 1.11129750 -0.62899509
C 4.29661829 3.00518390 -2.06712969
C 5.77809737 0.75679158 -1.40135676
H 4.39353175 0.50831005 0.21862759
C 5.38846562 2.64484985 -2.83436976
H 3.70604276 3.87274863 -2.32775276
C 6.13161848 1.52347244 -2.49995465
H 6.35155112 -0.12279375 -1.14803262
H 5.66119040 3.23766777 -3.69566050
H 6.98410144 1.24422571 -3.10164909
C 2.92618142 -3.44181305 0.92464427
C 3.87310058 -4.38256970 0.53407532
C 3.11429971 -2.71161598 2.09581840
C 4.97985486 -4.61322605 1.33270761
H 3.75002902 -4.93508826 -0.38733621
C 4.22633732 -2.94095442 2.88265490
H 2.38295426 -1.96346066 2.37281795
C 5.15626480 -3.89805009 2.50596401
H 5.70973011 -5.35244578 1.03536485
H 4.36882017 -2.37074782 3.78855832
H 6.02284803 -4.08368852 3.12330910
C 0.99431916 -4.33798770 -1.14318818
C 1.17383943 -5.67839129 -0.81881342
C 0.27096607 -3.99039931 -2.28187639
C 0.66468382 -6.65993480 -1.65134836
H 1.70761497 -5.95925891 0.07868926
C -0.24087767 -4.97587367 -3.10359808
H 0.11096760 -2.94363837 -2.50505204
C -0.03751786 -6.31195207 -2.79352056
H 0.81300032 -7.70127025 -1.40408118
H -0.80214300 -4.70183358 -3.98449289
H -0.43231320 -7.08361517 -3.43792828
130
conf 167  E=-192.85657051 Eh  dE=5.247 kcal/mol  pop=0.00%
Ir -0.11993882 0.02226804 -0.10827558
C -1.27418144 1.27234307 1.15304086
C -0.60806434 2.19699232 1.98965341
C -2.66399820 1.50843798 1.11074985
C -1.22672581 3.22104905 2.67349254
H 0.46163286 2.09532593 2.12714185
C -3.31024419 2.57875843 1.74568399
C -2.59078249 3.44690480 2.53070682
H -0.64271865 3.86768347 3.31629831
H -3.07433071 4.27621770 3.02796662
C -1.73045624 -0.79048387 -1.23937804
C -3.11026594 -0.67694529 -0.98248302
C -1.47324458 -1.65330517 -2.33109820
C -4.11947207 -1.31087428 -1.72305500
C -2.44280331 -2.30572977 -3.06261559
H -0.44928317 -1.81043289 -2.63817718
C -3.79070866 -2.14037263 -2.76721637
H -2.15183275 -2.94570361 -3.88647722
H -4.55638024 -2.63845428 -3.34531098
C -0.48345649 -1.73139197 1.00207425
C -1.57637505 -1.75394481 1.89455740
C 0.14606448 -2.98737556 0.90302017
C -1.99393042 -2.86622374 2.59291317
H -2.11289457 -0.82928304 2.07643865
C -0.29529330 -4.15002817 1.54956164
C -1.37254549 -4.09464600 2.40161127
H -2.81939082 -2.78815579 3.28897087
H -1.72044105 -4.98034634 2.91443558
C 1.26763460 -0.83361687 -1.47487614
C 1.99007806 -2.03202822 -1.32982563
C 1.63562699 -0.14129851 -2.65481972
C 2.96812763 -2.49516152 -2.22349525
C 2.60070725 -0.56644121 -3.54384188
H 1.11736212 0.77306280 -2.90529123
C 3.29397365 -1.75307544 -3.33228089
H 2.81476097 0.02697664 -4.42419530
H 4.04855953 -2.09252944 -4.02796143
C -0.12917642 1.81234131 -1.24490452
C -1.19422264 2.07543340 -2.13842773
C 0.80570393 2.86242377 -1.22397539
C -1.30546490 3.21254371 -2.91004857
H -1.97023280 1.33046167 -2.25156258
C 0.72786013 4.02306102 -2.00807807
C -0.33513467 4.20739262 -2.85831836
H -2.15212802 3.32859765 -3.57568181
H -0.41094103 5.09426652 -3.47156417
C 1.64410640 0.39580307 1.00024986
C 2.64955387 1.33705212 0.69044150
C 2.05748495 -0.49741905 2.01638833
C 3.95875285 1.29832748 1.18858343
C 3.31218119 -0.49784885 2.59030651
H 1.33844947 -1.19871241 2.41807355
C 4.30453410 0.35953390 2.13157589
H 3.53643835 -1.19174514 3.39079128
H 5.31012092 0.31004795 2.52540487
H -4.37451818 2.73390041 1.60028245
H -5.16137540 -1.13669779 -1.47316271
H 0.20362641 -5.09614025 1.36621811
H 3.45643871 -3.44754594 -2.04069287
H 1.51348330 4.76956944 -1.94165300
H 4.70031558 1.99844066 0.81661624
P -3.77773644 0.35810285 0.31495300
P 2.24250386 2.85132341 -0.16347958
P 1.66809217 -3.19384075 -0.01148959
C -5.11244904 1.33614381 -0.43802149
C -4.74012480 2.42048327 -1.22812797
C -6.45580554 1.00411226 -0.30668245
C -5.70517380 3.16490129 -1.87858253
H -3.69190570 2.67194868 -1.31612089
C -7.41762977 1.75475109 -0.96028879
H -6.74894640 0.16426890 0.30936329
C -7.04482780 2.83200628 -1.74672605
H -5.41488315 4.00655319 -2.49010507
H -8.46142452 1.49616903 -0.85600782
H -7.79914721 3.41322317 -2.25629381
C -4.64740254 -0.67886428 1.53850038
C -5.16445826 -0.08743904 2.68764940
C -4.80924254 -2.04479158 1.33528249
C -5.85432424 -0.85151825 3.61041334
H -5.01676634 0.96869771 2.86195369
C -5.50684266 -2.80274183 2.25905004
H -4.37796378 -2.51279658 0.46251942
C -6.03411702 -2.20874173 3.39372280
H -6.25275411 -0.38784895 4.50114553
H -5.63158453 -3.86322458 2.09538722
H -6.57666871 -2.80334296 4.11396531
C 2.04939157 4.18089370 1.06793328
C 0.92913518 5.00425829 1.05679300
C 3.02731553 4.36390811 2.04228501
C 0.80328858 6.01378489 1.99463746
H 0.15420974 4.84626248 0.32132777
C 2.89394794 5.37145439 2.97897655
H 3.88734024 3.71048241 2.07012682
C 1.78450359 6.20208953 2.95343767
H -0.06900305 6.65060848 1.98011318
H 3.65582826 5.50891137 3.73243478
H 1.68299702 6.98956512 3.68577889
C 3.67457072 3.33485429 -1.16587206
C 4.15536037 2.37702290 -2.05468516
C 4.25682239 4.59530874 -1.11681727
C 5.21734021 2.67911688 -2.88476835
H 3.68431441 1.40276588 -2.08079934
C 5.32167063 4.89029086 -1.95086205
H 3.88084580 5.33959807 -0.42749244
C 5.80159252 3.93597682 -2.83265670
H 5.59108946 1.93585732 -3.57345822
H 5.77732859 5.86911936 -1.91289549
H 6.63228746 4.17283472 -3.48105112
C 3.12179631 -3.33495609 1.07407517
C 4.32416962 -2.73028043 0.72582106
C 3.03639134 -4.07624153 2.24863325
C 5.43743181 -2.89334536 1.52979607
H 4.38082398 -2.12290703 -0.16554476
C 4.15136059 -4.22938305 3.05194572
H 2.09457417 -4.52127077 2.53595102
C 5.35520860 -3.64630504 2.68933035
H 6.37092252 -2.42566605 1.25330910
H 4.08210106 -4.80477318 3.96373048
H 6.22591371 -3.77174411 3.31614881
C 1.53692917 -4.81509291 -0.81952782
C 0.42806896 -4.99166327 -1.64389355
C 2.47665927 -5.82890108 -0.68911978
C 0.26052601 -6.17916249 -2.32843037
H -0.29311151 -4.18905339 -1.73122604
C 2.30140052 -7.01761765 -1.37756568
H 3.33887934 -5.68994665 -0.05049357
C 1.19760230 -7.19331490 -2.19511280
H -0.59940202 -6.31763346 -2.96695083
H 3.03049304 -7.80835827 -1.27576829
H 1.06743638 -8.12213601 -2.73067110
130
conf 168  E=-192.85655274 Eh  dE=5.258 kcal/mol  pop=0.00%
Ir 0.50929697 -0.01733683 -0.01188910
C -0.81771003 1.20610761 1.14956675
C -0.30948908 2.04135767 2.17931250
C -2.22335575 1.21123024 1.15601846
C -1.07692248 2.77135726 3.06265084
H 0.75916540 2.08129403 2.33881505
C -3.03311356 1.96913258 2.01600355
C -2.46332433 2.76392465 2.97808569
H -0.59230677 3.35675548 3.83368106
H -3.06942172 3.34471682 3.65872520
C -1.00142199 -1.09506132 -1.08937282
C -2.39781398 -0.94958656 -1.01933440
C -0.64275493 -1.98229120 -2.13824601
C -3.32968638 -1.61864056 -1.82783529
C -1.53090983 -2.62944555 -2.97152234
H 0.40511049 -2.13521696 -2.35652288
C -2.90182861 -2.47341790 -2.81181257
H -1.15460264 -3.26615414 -3.76210996
H -3.60316558 -2.98910701 -3.45222403
C 0.36260063 -1.40754446 1.59619766
C -0.03374934 -1.04705258 2.90525465
C 0.50315427 -2.80249812 1.46828564
C -0.33619695 -1.94351985 3.90906965
H -0.10110278 -0.00014780 3.15974227
C 0.18286582 -3.73959828 2.46166251
C -0.26881464 -3.31392643 3.68666233
H -0.63482523 -1.57435242 4.88243130
H -0.53306130 -4.02150338 4.46013157
C 2.01848859 -1.07508654 -1.01278520
C 2.29117842 -2.45654309 -0.94572871
C 2.94805734 -0.38181382 -1.81749991
C 3.34334097 -3.09125035 -1.61889974
C 3.99034368 -0.98094510 -2.49106564
H 2.83266683 0.68860043 -1.93103775
C 4.19942737 -2.35231430 -2.40015709
H 4.65570294 -0.38092098 -3.09885455
H 5.01554307 -2.82697843 -2.92650014
C 0.41241077 1.38032536 -1.61513028
C -0.08573422 1.06028775 -2.89962884
C 0.69316478 2.75508812 -1.50063193
C -0.35546703 1.98280559 -3.88905729
H -0.26511499 0.02469752 -3.14600307
C 0.40997393 3.71970619 -2.47876348
C -0.14683524 3.34042617 -3.67547539
H -0.73951595 1.64494412 -4.84362148
H -0.38487619 4.07100969 -4.43597950
C 2.17192769 0.88132700 0.89536002
C 2.57653551 2.22877021 0.80490394
C 3.07337624 0.09775944 1.64734461
C 3.72657544 2.75385616 1.40877739
C 4.21007175 0.58857371 2.25240012
H 2.85648356 -0.95510857 1.77570222
C 4.55076025 1.93165468 2.13966112
H 4.84711401 -0.07538448 2.82291636
H 5.44208337 2.32099975 2.61122625
H -4.11289364 1.90310702 1.92848567
H -4.38978727 -1.43713465 -1.68263330
H 0.29424968 -4.79982391 2.25741748
H 3.49128272 -4.16089190 -1.51513994
H 0.63336843 4.76415474 -2.28531642
H 3.97453417 3.80329996 1.29059477
P -3.21879367 0.17962009 0.09273600
P 1.60101681 3.42072759 -0.11347251
P 1.26129987 -3.54993474 0.03356560
C -4.21274977 1.31743727 -0.90675844
C -3.58251232 1.80671922 -2.04925560
C -5.45692710 1.81335647 -0.53400176
C -4.20568576 2.76353674 -2.82634025
H -2.60151629 1.43144969 -2.31170518
C -6.07906823 2.76529350 -1.32345641
H -5.94041924 1.46202522 0.36716518
C -5.45850164 3.23816729 -2.46810981
H -3.71223749 3.14131902 -3.70948415
H -7.05081700 3.14345981 -1.04021557
H -5.94999672 3.98233780 -3.07740109
C -4.26861379 -0.85088590 1.14974178
C -3.63146804 -1.40123088 2.26016410
C -5.57427833 -1.21913590 0.84545643
C -4.30593515 -2.29003752 3.07422437
H -2.60499564 -1.12733171 2.46837299
C -6.24626727 -2.10400566 1.67119098
H -6.06704309 -0.82072270 -0.03075254
C -5.61708068 -2.63654197 2.78446122
H -3.80727955 -2.71526918 3.93249001
H -7.26441793 -2.38295232 1.44081331
H -6.14788494 -3.32753746 3.42269902
C 0.53206331 4.50940681 0.87450236
C -0.79420851 4.70028042 0.50687494
C 1.05190972 5.17041998 1.98321270
C -1.59388368 5.55474731 1.24288146
H -1.19638434 4.16373147 -0.34096663
C 0.24671444 6.02432028 2.71341656
H 2.08031441 5.00338615 2.27354352
C -1.07465112 6.21909866 2.34218736
H -2.62641901 5.69909212 0.96039231
H 0.64751853 6.53815668 3.57535316
H -1.70163827 6.88563746 2.91606586
C 2.81447677 4.55298081 -0.85825345
C 3.81142757 3.95858426 -1.62828081
C 2.76292668 5.93610561 -0.74476339
C 4.75394028 4.73971182 -2.26695830
H 3.83755392 2.87998705 -1.71074999
C 3.71198518 6.71480585 -1.38574336
H 1.98519215 6.40470020 -0.15710825
C 4.70601691 6.12036272 -2.14417567
H 5.52700984 4.27583816 -2.86147595
H 3.67253837 7.79049578 -1.29293317
H 5.44320457 6.73290492 -2.64183473
C 2.40258848 -4.79434103 0.71011036
C 2.20787992 -6.16583376 0.61212410
C 3.49962712 -4.29943638 1.41125395
C 3.11396749 -7.03292158 1.19948893
H 1.35236331 -6.55664468 0.07813629
C 4.39885109 -5.16832844 1.99670560
H 3.63703379 -3.22848232 1.48220663
C 4.20743525 -6.53776346 1.88920027
H 2.96304410 -8.09967686 1.11872638
H 5.24968294 -4.78169718 2.53784579
H 4.91025892 -7.21902789 2.34550403
C 0.03623169 -4.52840829 -0.88601611
C 0.42537455 -5.24028017 -2.01654500
C -1.28107457 -4.58202699 -0.44725318
C -0.50078361 -6.00832266 -2.69703822
H 1.44826641 -5.17995122 -2.36262017
C -2.20214716 -5.35099681 -1.13386087
H -1.58014246 -4.00577997 0.41699348
C -1.81325488 -6.06635500 -2.25478715
H -0.20128618 -6.56137167 -3.57568354
H -3.22746862 -5.38810509 -0.79618142
H -2.53494212 -6.66566863 -2.79022189
130
conf 169  E=-192.85655226 Eh  dE=5.259 kcal/mol  pop=0.00%
Ir 0.05921695 -0.07076208 -0.13188602
C -1.02705903 1.15990044 1.20132889
C -0.34887335 1.92595802 2.17792769
C -2.38817597 1.52144972 1.10374188
C -0.92624532 2.94578642 2.90615682
H 0.67433531 1.67096604 2.42065795
C -2.97270224 2.61195768 1.76110311
C -2.23216341 3.34825821 2.65526535
H -0.34919228 3.45594259 3.66714659
H -2.66261641 4.19601447 3.16980544
C -1.60319954 -0.95436792 -1.12065442
C -2.97225739 -0.72760082 -0.89333892
C -1.39654338 -1.92859111 -2.12627230
C -4.01885702 -1.36147033 -1.57942776
C -2.40383095 -2.57400228 -2.81224064
H -0.38307069 -2.18013951 -2.40602463
C -3.73990515 -2.29543056 -2.54717971
H -2.15139576 -3.30019463 -3.57527118
H -4.53293587 -2.79158720 -3.08876954
C -0.22156822 -1.76635931 1.10650716
C -1.18246125 -1.70952999 2.14207891
C 0.27121383 -3.07427579 0.91889794
C -1.60979715 -2.79591279 2.87472314
H -1.60799815 -0.74919581 2.40411644
C -0.19139835 -4.20611719 1.60523338
C -1.14195511 -4.07270768 2.58833164
H -2.33062355 -2.65647908 3.67058692
H -1.50757259 -4.93548213 3.12759848
C 1.40565742 -0.94886738 -1.52248571
C 1.99879339 -2.22434217 -1.46652273
C 1.86508702 -0.20717015 -2.63604477
C 2.89925742 -2.73215952 -2.41501021
C 2.76521281 -0.67202518 -3.57121795
H 1.47841318 0.79039184 -2.78922527
C 3.29206051 -1.95468807 -3.47718525
H 3.05612853 -0.03540386 -4.39764208
H 3.98339398 -2.33188667 -4.21758364
C -0.11690994 1.65162193 -1.36757359
C -1.05902105 1.68527989 -2.42455318
C 0.53555990 2.88929236 -1.21354398
C -1.33530141 2.79719335 -3.19254290
H -1.59200978 0.77948020 -2.67555555
C 0.28823779 4.03066485 -1.99155254
C -0.66790094 3.99776318 -2.97717224
H -2.07385953 2.73144261 -3.98204087
H -0.87678314 4.87050564 -3.57994130
C 1.89347301 0.46170196 0.76215608
C 2.62017771 1.66190124 0.63905498
C 2.61389878 -0.52363682 1.47075402
C 3.93172697 1.84755467 1.09824447
C 3.88048249 -0.35058969 1.98512884
H 2.13690362 -1.47962404 1.65538631
C 4.57119572 0.83746615 1.77655138
H 4.34826139 -1.14881649 2.54734508
H 5.57976510 0.96716163 2.14331350
H -4.00317857 2.88130335 1.55161343
H -5.04745646 -1.10711989 -1.34291966
H 0.18465495 -5.19043959 1.34584167
H 3.27809313 -3.74400439 -2.31010843
H 0.86531633 4.93448726 -1.82092867
H 4.44722594 2.78292936 0.90563766
P -3.56598734 0.41769276 0.34093886
P 1.87394698 3.13024023 -0.05413945
P 1.65708508 -3.40254515 -0.16420647
C -4.87618277 1.41519907 -0.41822977
C -4.46184793 2.39027813 -1.32176081
C -6.23053498 1.20998895 -0.18594400
C -5.39964016 3.15953074 -1.98282582
H -3.40213309 2.52981725 -1.49295037
C -7.16432253 1.98587175 -0.85108022
H -6.55150055 0.44920244 0.51314164
C -6.75152577 2.95810240 -1.74723199
H -5.07887364 3.91633659 -2.68338313
H -8.21787988 1.82905750 -0.67067211
H -7.48529705 3.55887951 -2.26409527
C -4.38491510 -0.54822344 1.64989948
C -4.95332967 0.10728850 2.73901974
C -4.42675456 -1.93643075 1.58449300
C -5.57419245 -0.61849457 3.73816038
H -4.90222762 1.18468678 2.80455450
C -5.05210808 -2.65710564 2.58622806
H -3.96204246 -2.44798597 0.75460340
C -5.62920051 -2.00150165 3.66097105
H -6.01579769 -0.10546013 4.57992522
H -5.08179307 -3.73533246 2.53000425
H -6.11569219 -2.56646524 4.44253090
C 1.41772048 4.33969589 1.22736569
C 0.27423600 5.11896710 1.09449165
C 2.23958972 4.50242364 2.33846335
C -0.02571906 6.07261205 2.05019006
H -0.38546842 4.96558257 0.25309513
C 1.93004075 5.45245137 3.29423327
H 3.11111230 3.87473760 2.45811405
C 0.80253433 6.24484230 3.14706539
H -0.91322011 6.67862979 1.94217375
H 2.56824248 5.57442967 4.15748354
H 0.56482005 6.98853515 3.89354365
C 3.19168431 3.95120415 -0.99767337
C 3.78962162 3.18830208 -1.99799305
C 3.59195039 5.26468773 -0.79088779
C 4.78526580 3.73744379 -2.78159318
H 3.46542029 2.16555814 -2.14137112
C 4.59198303 5.80847961 -1.57948741
H 3.12621491 5.85749176 -0.01485818
C 5.18755635 5.04845436 -2.57202574
H 5.25090401 3.14615094 -3.55614041
H 4.90651493 6.82930915 -1.41767202
H 5.96714695 5.47809626 -3.18366056
C 3.19275970 -3.69277830 0.77798244
C 4.38768388 -3.09398287 0.39400648
C 3.16920181 -4.52810559 1.89117478
C 5.54943320 -3.35308634 1.09916454
H 4.40323657 -2.41781473 -0.44805001
C 4.33217558 -4.77748315 2.59610394
H 2.23848927 -4.97483551 2.20944813
C 5.52586773 -4.19740647 2.19674088
H 6.47482432 -2.88695606 0.79389061
H 4.30822447 -5.42621139 3.45957911
H 6.43401982 -4.39714857 2.74633697
C 1.32668045 -5.00266656 -0.95998412
C 0.06474807 -5.18133454 -1.52096516
C 2.28086581 -6.00745207 -1.06572481
C -0.23868598 -6.35799122 -2.17775670
H -0.66900050 -4.39215266 -1.42671123
C 1.96984694 -7.18444726 -1.72473622
H 3.26136603 -5.87274282 -0.62832985
C 0.71363908 -7.36087523 -2.28030636
H -1.21903179 -6.49649578 -2.60938086
H 2.71130490 -7.96619678 -1.80403114
H 0.47576755 -8.28159088 -2.79234302
130
conf 170  E=-192.85653851 Eh  dE=5.267 kcal/mol  pop=0.00%
Ir 0.48226691 -0.03279694 -0.00997901
C -0.83923583 1.21749173 1.13504501
C -0.33616598 2.02159608 2.19312521
C -2.24407381 1.25392533 1.11158838
C -1.10724052 2.74803723 3.07615073
H 0.72926421 2.03708147 2.37596350
C -3.05642173 2.00762898 1.97314547
C -2.49172345 2.76856228 2.96474319
H -0.62728048 3.30811734 3.86855212
H -3.10054670 3.34548636 3.64628675
C -1.03206560 -1.08938381 -1.09823671
C -2.41935004 -0.86277920 -1.10635552
C -0.66990046 -2.01934636 -2.10635122
C -3.34238610 -1.48444102 -1.96098248
C -1.54773453 -2.63260951 -2.97547123
H 0.37764304 -2.23963084 -2.25944804
C -2.91200198 -2.38202122 -2.90518218
H -1.16754494 -3.31288446 -3.72705408
H -3.60529260 -2.86217149 -3.58115552
C 0.29314431 -1.41740363 1.60538386
C -0.15092162 -1.05668111 2.89914490
C 0.42002472 -2.81451597 1.48076056
C -0.50967114 -1.95082523 3.88639092
H -0.21346242 -0.01043621 3.15590242
C 0.04676805 -3.74950525 2.45791115
C -0.45225831 -3.32149684 3.66337452
H -0.84503882 -1.57916068 4.84654608
H -0.75933053 -4.02719519 4.42263746
C 2.00521338 -1.11015115 -0.97464684
C 2.28988013 -2.48709596 -0.87209799
C 2.95230585 -0.42411714 -1.76565410
C 3.37355858 -3.12282975 -1.49254690
C 4.02490277 -1.02457413 -2.38858693
H 2.82851670 0.64172580 -1.90883580
C 4.24938070 -2.39020476 -2.25745065
H 4.70354686 -0.42931457 -2.98629505
H 5.09151481 -2.86521679 -2.74074189
C 0.41168434 1.32622576 -1.64182822
C -0.02145585 0.96958238 -2.93981631
C 0.63455653 2.71183815 -1.53508348
C -0.30091890 1.87037075 -3.94645881
H -0.13971025 -0.07604694 -3.18110203
C 0.33944526 3.65415947 -2.53058081
C -0.16638556 3.23850238 -3.73812890
H -0.63560712 1.50683392 -4.90997965
H -0.41725058 3.95064497 -4.51201397
C 2.12800284 0.88877834 0.89303690
C 2.50291459 2.24430745 0.79222391
C 3.03935271 0.13008928 1.65748864
C 3.63657182 2.79885606 1.40020102
C 4.16166828 0.65048108 2.26494161
H 2.84105564 -0.92565527 1.79352448
C 4.47348552 1.99983093 2.14264594
H 4.80957579 0.00590854 2.84529918
H 5.35269314 2.41247810 2.61716124
H -4.13515886 1.96493417 1.86261089
H -4.39552874 -1.23363906 -1.88237806
H 0.15479553 -4.81065220 2.25635593
H 3.53053888 -4.18792320 -1.35888363
H 0.51230059 4.70894722 -2.34218002
H 3.86226266 3.85272220 1.27676356
P -3.23714519 0.28112756 -0.00754493
P 1.50523597 3.40807939 -0.13977455
P 1.23342845 -3.57514091 0.08395075
C -4.16349213 1.47586368 -1.00486222
C -3.49330808 1.95876630 -2.12697434
C -5.38890480 2.02190681 -0.63951201
C -4.05840059 2.96096881 -2.89142585
H -2.52814029 1.54162243 -2.38458659
C -5.95223236 3.02033596 -1.41537345
H -5.90372741 1.67293321 0.24500937
C -5.29185123 3.48815412 -2.53970400
H -3.53411961 3.33299366 -3.75903030
H -6.90879296 3.43876821 -1.13739912
H -5.73752938 4.26886749 -3.13852857
C -4.35065609 -0.74416346 0.98728748
C -3.75911017 -1.36509815 2.08533213
C -5.66078277 -1.05012768 0.63859913
C -4.48359980 -2.26411124 2.84339342
H -2.72866438 -1.13781484 2.32758001
C -6.38300755 -1.94490605 1.40919553
H -6.11689004 -0.59624121 -0.23050759
C -5.79876619 -2.54939540 2.50984676
H -4.02063470 -2.74597473 3.69143621
H -7.40455849 -2.17611332 1.14497087
H -6.36791388 -3.24940866 3.10367752
C 0.40230514 4.47808796 0.82933380
C -0.92684726 4.62676468 0.45231223
C 0.89821219 5.16736439 1.93158547
C -1.75462386 5.46471421 1.17568729
H -1.30821059 4.06982247 -0.39213521
C 0.06483302 6.00487341 2.64889644
H 1.93004971 5.03448378 2.22716888
C -1.26003763 6.15552499 2.27031099
H -2.78959507 5.57582078 0.88711298
H 0.44657316 6.53995807 3.50653978
H -1.90940972 6.80856938 2.83466034
C 2.69687722 4.56178649 -0.88699043
C 3.71935882 3.98330440 -1.63539090
C 2.60014596 5.94473787 -0.80436721
C 4.64254823 4.78029222 -2.28270751
H 3.78020603 2.90463046 -1.69457483
C 3.52949181 6.73945676 -1.45436673
H 1.80221679 6.40042730 -0.23380209
C 4.54896594 6.16095448 -2.19120290
H 5.43561862 4.32890236 -2.86025616
H 3.45459850 7.81513298 -1.38621288
H 5.27019174 6.78588567 -2.69672980
C 2.34979149 -4.80822496 0.81944722
C 3.41453768 -4.30395524 1.56236859
C 2.16054036 -6.18098916 0.72818620
C 4.28804181 -5.16528144 2.19614224
H 3.54703855 -3.23215840 1.62819950
C 3.04048852 -7.04036062 1.36436633
H 1.32932553 -6.57826208 0.16145468
C 4.10231430 -6.53601401 2.09586169
H 5.11395473 -4.77150591 2.76978069
H 2.89391320 -8.10815116 1.28963565
H 4.78475390 -7.21145698 2.59016577
C 0.05207804 -4.56891758 -0.87698058
C -1.28174539 -4.63194854 -0.49297663
C 0.49117837 -5.27430087 -1.99323430
C -2.16866873 -5.40671751 -1.21729558
H -1.61988695 -4.05866677 0.35869383
C -0.40122222 -6.04664196 -2.71289772
H 1.52664882 -5.20539546 -2.29813444
C -1.72996634 -6.11578118 -2.32367374
H -3.20657169 -5.45179462 -0.92177341
H -0.06269822 -6.59363149 -3.58108595
H -2.42531886 -6.71817786 -2.88968687
130
conf 171  E=-192.85651475 Eh  dE=5.282 kcal/mol  pop=0.00%
Ir -0.26479876 0.47329809 -0.00256499
C -1.82702373 1.43941864 1.01056651
C -1.55169830 2.57512721 1.80267558
C -3.20462257 1.14391019 0.95688709
C -2.50957427 3.30426047 2.47350434
H -0.52234764 2.89306207 1.90784430
C -4.19892375 1.86856809 1.62734179
C -3.85299211 2.95595680 2.39351118
H -2.21664160 4.15897405 3.06995135
H -4.60794763 3.52613387 2.91629646
C -1.50666209 -0.21530649 -1.59660195
C -2.83511408 -0.65584937 -1.44089634
C -1.04050087 -0.44661813 -2.91187552
C -3.57494150 -1.34818343 -2.41130507
C -1.74853066 -1.10966828 -3.89242441
H -0.06493984 -0.07960991 -3.19101232
C -3.02106031 -1.60901195 -3.64039538
H -1.30461399 -1.24691598 -4.87061040
H -3.56899049 -2.15600483 -4.39497191
C -0.62384838 -1.34375534 1.08410458
C -1.58229735 -1.37971266 2.13003484
C 0.11834875 -2.53680039 1.05198873
C -1.77594099 -2.43509828 2.99643953
H -2.18517970 -0.50122464 2.31501219
C -0.06623039 -3.63765101 1.90264906
C -1.02280055 -3.59686045 2.88507499
H -2.52091848 -2.35486798 3.77797643
H -1.17309713 -4.42867368 3.55845931
C 1.36810564 -0.25216343 -1.20675090
C 1.92845877 -1.54082925 -1.22247294
C 1.88966589 0.52967193 -2.27255298
C 2.89969562 -2.00075374 -2.12555894
C 2.82184293 0.10008358 -3.19383931
H 1.50124452 1.52621528 -2.42879943
C 3.36023826 -1.17824900 -3.12172628
H 3.13545303 0.76723817 -3.98662620
H 4.09815614 -1.51707628 -3.83491705
C -0.07347082 2.35170123 -0.89724468
C -1.14493192 2.90767143 -1.62734906
C 1.04407682 3.20945786 -0.83746896
C -1.10373290 4.13869188 -2.24574592
H -2.05404876 2.32824455 -1.72729954
C 1.11402902 4.46208081 -1.46041804
C 0.03530677 4.93235750 -2.17137801
H -1.96396700 4.49418800 -2.79855500
H 0.07330249 5.89708765 -2.65741556
C 1.04957978 0.93113927 1.60532942
C 2.23450127 1.67906919 1.47691251
C 0.91259819 0.39729708 2.90780017
C 3.23147516 1.78437885 2.45743298
C 1.86427465 0.50209523 3.90061918
H 0.00378430 -0.12583820 3.16387057
C 3.06472025 1.16547579 3.67211450
H 1.67671326 0.05639333 4.86948761
H 3.82767781 1.22234070 4.43609185
H -5.24072653 1.58140629 1.53240001
H -4.58469888 -1.67608161 -2.18479334
H 0.56788693 -4.51140979 1.78923145
H 3.26506491 -3.01944455 -2.04276376
H 2.01116538 5.06570725 -1.37447721
H 4.13148091 2.35481911 2.25157626
P -3.80955996 -0.24576857 -0.00146942
P 2.52105370 2.73295274 0.06374597
P 1.45248224 -2.83779028 -0.09357902
C -5.41241423 0.29667856 -0.66883127
C -5.40139690 1.48582498 -1.39392199
C -6.59384458 -0.42171483 -0.53962155
C -6.56361527 1.95774185 -1.97103457
H -4.47260028 2.03243681 -1.49077431
C -7.75712034 0.05706831 -1.11872772
H -6.60696317 -1.35177621 0.01226756
C -7.74451366 1.24391692 -1.83141082
H -6.55278453 2.88124873 -2.53070725
H -8.67605587 -0.50117761 -1.01322929
H -8.65490200 1.61248391 -2.28048833
C -4.20953709 -1.75011567 0.93814932
C -3.73241250 -2.98333203 0.51122159
C -5.00531813 -1.66538197 2.07652825
C -4.05878256 -4.12697647 1.21605925
H -3.09275420 -3.03676849 -0.35850659
C -5.32844998 -2.81329601 2.77576078
H -5.35745797 -0.70005411 2.41431809
C -4.85819369 -4.04400598 2.34460825
H -3.68309949 -5.08479942 0.88723665
H -5.94545682 -2.74984150 3.66058669
H -5.11056450 -4.93873249 2.89459741
C 3.15038411 4.28210805 0.77953566
C 2.23619675 5.02289324 1.52520283
C 4.46732212 4.71120260 0.67907841
C 2.63216852 6.18875176 2.14992643
H 1.21469082 4.67367316 1.59976770
C 4.85909959 5.88156043 1.30733508
H 5.18494199 4.13393898 0.11187479
C 3.94550695 6.62054441 2.03957592
H 1.92005486 6.76247108 2.72445356
H 5.88334063 6.21561852 1.22576983
H 4.25716708 7.53241743 2.52711300
C 3.91130089 2.09752030 -0.91849075
C 4.53345059 0.91180629 -0.54653281
C 4.36691965 2.80979485 -2.02346828
C 5.60856664 0.44279493 -1.27780693
H 4.15900869 0.35480679 0.30102118
C 5.44453242 2.33600327 -2.74802759
H 3.86795499 3.72396027 -2.31533187
C 6.06648197 1.15468872 -2.37483545
H 6.08760790 -0.48249757 -0.99260538
H 5.80025280 2.88599238 -3.60739911
H 6.90654597 0.78633078 -2.94524381
C 2.94716089 -3.21317948 0.85701354
C 3.16410086 -2.39108421 1.96116802
C 3.92144553 -4.12559793 0.46817664
C 4.33612587 -2.49925830 2.68389315
H 2.40670149 -1.66848457 2.23728772
C 5.08904559 -4.23469616 1.20369828
H 3.77403830 -4.74800982 -0.40362817
C 5.29735442 -3.42589996 2.30903443
H 4.50065421 -1.85734329 3.53653197
H 5.84287934 -4.95033047 0.90836441
H 6.21312363 -3.51482495 2.87470046
C 0.91201104 -4.25612876 -1.08148225
C 1.15575136 -5.58580048 -0.75798435
C 0.07240859 -3.94115998 -2.14847127
C 0.58979130 -6.59095935 -1.52346709
H 1.78161621 -5.83900952 0.08667906
C -0.49558320 -4.94996263 -2.90151338
H -0.12979746 -2.90089080 -2.37095134
C -0.23154270 -6.27623471 -2.59358883
H 0.78606480 -7.62500708 -1.27902071
H -1.14800945 -4.70180996 -3.72550081
H -0.67231378 -7.06658304 -3.18317523
130
conf 172  E=-192.85650525 Eh  dE=5.288 kcal/mol  pop=0.00%
Ir 0.11229350 0.08355416 0.14765678
C -1.31445695 1.24171096 1.21690104
C -0.88490534 2.25818467 2.10354061
C -2.71711532 1.17140065 1.15154916
C -1.72747669 3.07891357 2.82344429
H 0.17565096 2.40067489 2.25729911
C -3.59983906 1.98843585 1.87358701
C -3.10816139 2.95477258 2.71653825
H -1.30848304 3.82530127 3.48715144
H -3.77267526 3.59172843 3.28311588
C -1.25253174 -1.12164902 -0.92960184
C -2.62823078 -1.29409352 -0.66592689
C -0.77962852 -2.05454743 -1.88211526
C -3.40769286 -2.35097763 -1.15452528
C -1.54995045 -3.05036283 -2.44620522
H 0.23515682 -1.95825213 -2.24506335
C -2.86206946 -3.25287800 -2.03675005
H -1.12243598 -3.69719169 -3.20204203
H -3.44511466 -4.07735472 -2.42263383
C -0.10286006 -1.48838141 1.56335220
C -0.90477250 -1.31439718 2.71754093
C 0.37923172 -2.80678442 1.45893961
C -1.21178485 -2.31493000 3.61584323
H -1.29528528 -0.33100695 2.93642921
C 0.09784537 -3.83941365 2.36641288
C -0.72063904 -3.60427823 3.44419083
H -1.83564407 -2.09135810 4.47249314
H -0.95471153 -4.39094560 4.14774528
C 1.76111882 -0.73889992 -0.87806027
C 2.35622490 -2.00549086 -0.71811864
C 2.50050446 0.08924753 -1.74978843
C 3.57527852 -2.38905060 -1.29472412
C 3.66752329 -0.28332786 -2.38098817
H 2.12175143 1.08225795 -1.96605798
C 4.23848564 -1.52660015 -2.13470764
H 4.15327820 0.40141153 -3.06461866
H 5.17484038 -1.81046055 -2.59440083
C -0.12803570 1.67766200 -1.22743037
C -1.18320620 1.62435992 -2.16749756
C 0.49498995 2.94267461 -1.20973697
C -1.57921282 2.67881323 -2.96184879
H -1.71486700 0.69103459 -2.30042373
C 0.06978325 4.05016249 -1.95723855
C -0.97732044 3.92520276 -2.83757955
H -2.38004956 2.54045695 -3.67737643
H -1.31547879 4.76979784 -3.42165480
C 1.70569311 0.91529159 1.27939684
C 2.40808006 2.11113051 1.03945727
C 2.23886540 0.20833771 2.38287925
C 3.48123291 2.57995098 1.81200845
C 3.30326542 0.63522765 3.14802007
H 1.77800031 -0.72623215 2.67032850
C 3.94018186 1.84009242 2.87425394
H 3.64187303 0.03060645 3.98033701
H 4.76593337 2.18710965 3.47936626
H -4.67088400 1.85029509 1.76283814
H -4.43519487 -2.46340776 -0.82340291
H 0.54050504 -4.82011027 2.22114947
H 4.00271984 -3.36008374 -1.06632854
H 0.55148642 5.01303740 -1.82363657
H 3.94454336 3.53067289 1.56794261
P -3.57695796 0.00588700 0.10774505
P 2.00689429 3.23175954 -0.29646217
P 1.53807513 -3.30728397 0.19350392
C -4.43781924 0.95233313 -1.18744252
C -4.26966939 2.32920730 -1.28294963
C -5.24941669 0.29213004 -2.10635188
C -4.92611754 3.03889885 -2.27251200
H -3.61950812 2.83862972 -0.58708484
C -5.90068853 1.00645940 -3.09427740
H -5.36564044 -0.78068564 -2.04877343
C -5.74406979 2.38148612 -3.17605278
H -4.79205999 4.10835856 -2.34157266
H -6.53161805 0.49060353 -3.80349746
H -6.25552166 2.93747391 -3.94811139
C -4.88005713 -0.76149765 1.10767444
C -4.46110093 -1.71515965 2.03181381
C -6.21962531 -0.39989160 1.03696270
C -5.38102175 -2.30894961 2.87391287
H -3.41138877 -1.97605864 2.07643786
C -7.13582746 -0.99996713 1.88374762
H -6.54356933 0.34441436 0.32162464
C -6.71926212 -1.95195883 2.79970308
H -5.05645374 -3.04902943 3.59037367
H -8.17832894 -0.72152937 1.82961548
H -7.43915283 -2.41520620 3.45824916
C 1.88202999 4.90199847 0.40920415
C 0.68328772 5.23884129 1.03227272
C 2.93407228 5.81040953 0.39570611
C 0.53903713 6.47492321 1.63213924
H -0.12825238 4.52381551 1.03298140
C 2.78228115 7.04775776 0.99714130
H 3.86597272 5.55517864 -0.09134853
C 1.58836282 7.38098162 1.61509614
H -0.39312277 6.73406040 2.11229589
H 3.59925060 7.75454329 0.98273641
H 1.47537973 8.34833225 2.08201883
C 3.44955651 3.32787471 -1.40851285
C 4.57194518 2.53781646 -1.18337485
C 3.42976891 4.19862187 -2.49449333
C 5.66761336 2.63632256 -2.02211445
H 4.58066929 1.84231346 -0.35685099
C 4.52606313 4.28954256 -3.33181914
H 2.55637249 4.80474989 -2.68460868
C 5.64921401 3.51292678 -3.09412345
H 6.53722272 2.02176124 -1.83940091
H 4.50544563 4.96870259 -4.17157422
H 6.50628034 3.58867868 -3.74705873
C 2.85740723 -4.19321158 1.07472446
C 3.66530588 -3.41724924 1.90257240
C 3.06008349 -5.56450288 0.99200093
C 4.67191666 -4.01152830 2.63780168
H 3.49350458 -2.34973799 1.95132551
C 4.07194242 -6.15376424 1.73142815
H 2.43169722 -6.16777888 0.35029431
C 4.87587168 -5.38101791 2.55243290
H 5.30012424 -3.41013787 3.27814505
H 4.23175440 -7.22026910 1.66603438
H 5.66318744 -5.84623304 3.12708805
C 0.81095712 -4.56801391 -0.90028499
C -0.39052893 -5.18675820 -0.57446327
C 1.48549840 -4.93685896 -2.06011267
C -0.89374279 -6.18703810 -1.38639019
H -0.93552870 -4.87322261 0.30381081
C 0.97318926 -5.93234401 -2.87174493
H 2.40278862 -4.43380226 -2.33073644
C -0.21156579 -6.56550431 -2.53115973
H -1.82549192 -6.66873242 -1.12854370
H 1.49846386 -6.21448185 -3.77278462
H -0.60749566 -7.34614749 -3.16416732
130
conf 173  E=-192.85649507 Eh  dE=5.295 kcal/mol  pop=0.00%
Ir 0.04909889 0.09530711 -0.14969228
C -1.24816500 1.34663017 0.94739071
C -0.69156442 2.35656305 1.76200624
C -2.65189621 1.43881588 0.87606914
C -1.42059824 3.32771779 2.41343546
H 0.38126083 2.36341441 1.91776944
C -3.41356861 2.45288896 1.47380366
C -2.79856116 3.40691133 2.24884285
H -0.91686942 4.04428166 3.04978650
H -3.37191624 4.19124138 2.72283759
C -1.43464491 -0.75118467 -1.41717854
C -2.82715641 -0.77455886 -1.21395898
C -1.06110093 -1.49123835 -2.56543681
C -3.74735793 -1.44971690 -2.03038157
C -1.94152907 -2.17778663 -3.37526898
H -0.02029070 -1.51134681 -2.85532768
C -3.30639429 -2.17495891 -3.11031225
H -1.56667379 -2.71690565 -4.23665871
H -4.00108839 -2.70668041 -3.74537915
C -0.45847091 -1.58862119 1.02525758
C -1.43457077 -1.47708669 2.04261988
C -0.11433673 -2.93438827 0.77410426
C -2.02661104 -2.55101017 2.67493217
H -1.70640516 -0.49136053 2.39691025
C -0.76496078 -4.04163412 1.33425562
C -1.74618704 -3.85282353 2.27851993
H -2.73511732 -2.37918760 3.47553250
H -2.26275347 -4.69352368 2.72026854
C 1.57713129 -0.82027966 -1.31115793
C 2.06309340 -2.13712261 -1.22700863
C 2.27858587 -0.06727560 -2.28304667
C 3.10149754 -2.66427462 -2.00926667
C 3.30622453 -0.55549377 -3.06226763
H 1.98526998 0.95846382 -2.45722184
C 3.73529977 -1.87178888 -2.93477824
H 3.77938365 0.09164845 -3.79068328
H 4.53485134 -2.26149890 -3.54892432
C 0.11442895 1.83818868 -1.36348859
C -0.80886949 2.00371444 -2.42264061
C 0.95107874 2.96133098 -1.22252436
C -0.87879692 3.11459688 -3.23612862
H -1.50237733 1.20250656 -2.63528527
C 0.91547473 4.09639886 -2.04634706
C -0.00613167 4.18222120 -3.06123527
H -1.61425937 3.15172911 -4.03028387
H -0.04544247 5.04886989 -3.70604483
C 1.72467393 0.53014820 1.06911214
C 2.63658980 1.59878275 0.94567218
C 2.17019620 -0.43811257 1.99793414
C 3.88214494 1.66065790 1.58642856
C 3.35894087 -0.36819562 2.69216031
H 1.53479274 -1.28954225 2.20634925
C 4.25322865 0.67074493 2.46410920
H 3.60759254 -1.13993970 3.40977336
H 5.20882429 0.70599330 2.96854927
H -4.48601835 2.49316826 1.31238236
H -4.80924249 -1.38454664 -1.81347738
H -0.50346913 -5.04411550 1.01032555
H 3.39708834 -3.70096478 -1.88119152
H 1.62323717 4.90289919 -1.88239573
H 4.56283025 2.47846429 1.37339413
P -3.62512789 0.17211802 0.07486519
P 2.22004897 3.08013579 0.03290391
P 1.39693582 -3.33842301 -0.08625167
C -4.99560205 1.04290532 -0.74016146
C -4.63414542 2.04248066 -1.64027720
C -6.33571218 0.74044112 -0.53728858
C -5.61003083 2.73709245 -2.32752993
H -3.58456030 2.26522964 -1.78275382
C -7.30895487 1.44165263 -1.22909453
H -6.61609270 -0.03722377 0.16072391
C -6.94866601 2.43711084 -2.12177322
H -5.33070773 3.51385989 -3.02395739
H -8.35195471 1.20909574 -1.07012142
H -7.71230239 2.98071677 -2.65826002
C -4.44150477 -0.92449107 1.27731634
C -4.59298214 -2.28131392 1.01509016
C -4.94246468 -0.38984980 2.46034993
C -5.26810661 -3.08680052 1.91418148
H -4.16934692 -2.70545439 0.11662589
C -5.60983723 -1.20195764 3.35874279
H -4.79662682 0.65806802 2.68028482
C -5.78226284 -2.54902245 3.08267807
H -5.38751163 -4.13971537 1.70531975
H -5.99559641 -0.78375051 4.27722882
H -6.30781983 -3.18056570 3.78392593
C 1.80263459 4.45761847 1.15372798
C 0.66896588 5.23315057 0.93685812
C 2.63228107 4.74046350 2.23514640
C 0.38646313 6.29561490 1.77682004
H 0.00528948 4.99630814 0.11836453
C 2.34123270 5.79958201 3.07473516
H 3.50127058 4.12671964 2.42253591
C 1.22240130 6.58405247 2.84268387
H -0.49448351 6.89557072 1.60149468
H 2.98896735 6.01475398 3.91207198
H 0.99942843 7.41383274 3.49723070
C 3.74171058 3.63482697 -0.79133777
C 4.46936759 2.67532317 -1.49032292
C 4.16288751 4.95936469 -0.79072729
C 5.61068109 3.03964098 -2.17819615
H 4.13170467 1.64774369 -1.47928513
C 5.30787300 5.31730168 -1.48125511
H 3.60132202 5.70700238 -0.24620585
C 6.03123766 4.36098274 -2.17436169
H 6.17553057 2.29331484 -2.71723332
H 5.63610527 6.34660780 -1.47777992
H 6.92437222 4.64570424 -2.71077761
C 2.68245087 -3.72433326 1.14450432
C 3.91589703 -3.08406272 1.10563725
C 2.41920318 -4.65223558 2.14873235
C 4.88184186 -3.38721792 2.04861530
H 4.11182358 -2.34431089 0.34345544
C 3.38728274 -4.94867295 3.08964272
H 1.45357593 -5.13523226 2.19494942
C 4.62182453 -4.32013142 3.03843457
H 5.83837637 -2.88674893 2.01390161
H 3.17880776 -5.66986878 3.86654784
H 5.37674261 -4.55335270 3.77495914
C 1.13634814 -4.87540404 -1.01233686
C 0.04756731 -4.89574700 -1.88001666
C 1.99328409 -5.96693818 -0.94283461
C -0.18410883 -6.00646451 -2.66801661
H -0.60438514 -4.03272163 -1.92367096
C 1.75424391 -7.07661768 -1.73510393
H 2.84113799 -5.94827008 -0.27093742
C 0.66921159 -7.09751539 -2.59595218
H -1.02883032 -6.02333414 -3.34073571
H 2.41921628 -7.92647155 -1.68234790
H 0.48956196 -7.96538647 -3.21325459
130
conf 174  E=-192.85649075 Eh  dE=5.297 kcal/mol  pop=0.00%
Ir -0.13457046 0.04110365 0.14508702
C -1.50197997 1.02038928 1.44183632
C -1.02487569 1.84339158 2.48837159
C -2.90841908 1.01811064 1.38106399
C -1.82754950 2.53983535 3.36662961
H 0.04297330 1.92806225 2.63377295
C -3.75023352 1.69911870 2.27291657
C -3.21265992 2.46830535 3.27595969
H -1.37489454 3.14104511 4.14533572
H -3.84741894 2.99761682 3.97257927
C -1.55214805 -0.94735336 -1.08407960
C -2.94746303 -1.03678441 -0.89988036
C -1.09994775 -1.82041939 -2.10082037
C -3.78154007 -1.94796771 -1.56358670
C -1.90831676 -2.67922243 -2.81400563
H -0.05040625 -1.81466266 -2.36328307
C -3.26340990 -2.78198528 -2.52436038
H -1.47913247 -3.29522482 -3.59430505
H -3.89425415 -3.48941993 -3.04441870
C -0.31474656 -1.76449651 1.25814530
C -1.31508207 -1.89264095 2.25143325
C 0.44908934 -2.93902208 1.14202398
C -1.51894962 -3.01911872 3.02063530
H -1.96066088 -1.04927518 2.45256443
C 0.26670252 -4.09996863 1.90807597
C -0.72465102 -4.14836638 2.85725124
H -2.30410740 -3.02169937 3.76677882
H -0.87785134 -5.03237510 3.46004771
C 1.44119506 -0.57176312 -1.12439653
C 2.31155827 -1.66644714 -0.93278262
C 1.87267918 0.26366173 -2.18167149
C 3.53843699 -1.83448293 -1.58826198
C 3.02947874 0.06549727 -2.90716357
H 1.23147939 1.07684463 -2.49571322
C 3.91558604 -0.95059182 -2.57093032
H 3.26413418 0.72268436 -3.73497366
H 4.85876625 -1.06072053 -3.08753407
C -0.33316039 1.88141183 -0.85925671
C -1.53673338 2.14862117 -1.54560277
C 0.52720592 2.99602076 -0.84204039
C -1.84901557 3.35174840 -2.13957564
H -2.26762410 1.35169640 -1.63572636
C 0.21555194 4.24777998 -1.39122088
C -0.97796336 4.43145747 -2.04765633
H -2.78474438 3.46390556 -2.67259124
H -1.23012288 5.38863990 -2.48212603
C 1.49280125 0.62982017 1.37632244
C 2.42157379 1.65833360 1.12620844
C 1.83944946 -0.12171083 2.52543764
C 3.56875005 1.90798867 1.89489067
C 2.96916075 0.09038880 3.28762979
H 1.17356737 -0.90693884 2.85334031
C 3.86373636 1.10686990 2.97100930
H 3.15767416 -0.53656848 4.15036499
H 4.74926738 1.27886866 3.56680956
H -4.82716897 1.61198723 2.16924042
H -4.83219324 -2.01360474 -1.30110357
H 0.91321220 -4.95672765 1.74598366
H 4.19276752 -2.65409469 -1.30858446
H 0.90878995 5.07583972 -1.28469922
H 4.21343893 2.74521060 1.64526047
P -3.83389872 0.11891959 0.14059497
P 2.17105854 2.88664624 -0.14843822
P 1.76501704 -3.11879463 -0.05025471
C -4.76771790 1.33042887 -0.85560669
C -4.64280071 2.69448686 -0.61401030
C -5.61383468 0.88854061 -1.86902560
C -5.37380771 3.60054037 -1.36132637
H -3.96617965 3.04373814 0.15199446
C -6.33712785 1.79912326 -2.61669094
H -5.70359800 -0.16782663 -2.07516263
C -6.22387493 3.15640915 -2.36034727
H -5.27366365 4.65806698 -1.16512344
H -6.99235807 1.44954862 -3.40121065
H -6.79324815 3.86562122 -2.94295327
C -5.12730096 -0.83190313 0.99382654
C -4.75563287 -2.04860330 1.55954374
C -6.43121949 -0.37197075 1.13739817
C -5.68135816 -2.79678931 2.26082481
H -3.73973619 -2.39835022 1.43622821
C -7.35443998 -1.12768451 1.83907329
H -6.72660438 0.56981143 0.69396929
C -6.98190964 -2.33729052 2.40153534
H -5.39020297 -3.74110802 2.69694625
H -8.36849418 -0.77072934 1.94617493
H -7.70635129 -2.92316201 2.94783594
C 2.45854818 4.48439781 0.66960620
C 1.53486027 4.84325438 1.64839378
C 3.53542809 5.31606420 0.39201407
C 1.68709602 6.02907746 2.33941681
H 0.70059853 4.18334831 1.84844051
C 3.68135931 6.50452089 1.08768739
H 4.25450358 5.03757219 -0.36678805
C 2.76093991 6.86121512 2.05868881
H 0.97010240 6.30863127 3.09712540
H 4.51725015 7.15345312 0.86991065
H 2.87996761 7.78944020 2.59782752
C 3.46874365 2.81153789 -1.42250867
C 4.62456984 2.06669620 -1.21870179
C 3.31448480 3.54174754 -2.59699335
C 5.62818386 2.07709213 -2.17020270
H 4.72726585 1.46848563 -0.32520063
C 4.31862166 3.54200184 -3.54756533
H 2.40260615 4.09560978 -2.76892983
C 5.48021007 2.81754770 -3.33160882
H 6.52679512 1.50025055 -2.00768933
H 4.19493950 4.10706871 -4.46016795
H 6.26484996 2.82248507 -4.07399532
C 3.18546825 -3.85329731 0.80257076
C 3.90868004 -3.00222537 1.63410379
C 3.51984636 -5.19951557 0.72122893
C 4.96561902 -3.49641888 2.37367435
H 3.62511752 -1.95902388 1.69100933
C 4.58146270 -5.68695585 1.46400086
H 2.95346298 -5.86122745 0.07937368
C 5.30278247 -4.83911683 2.28852325
H 5.52616673 -2.83695060 3.01966621
H 4.84407898 -6.73309385 1.40137945
H 6.12793305 -5.22660773 2.86776117
C 1.21698933 -4.34598147 -1.27721011
C -0.08954422 -4.82109812 -1.25532579
C 2.09145172 -4.78056212 -2.27016130
C -0.50823454 -5.73743795 -2.20336218
H -0.77516814 -4.46603414 -0.50017395
C 1.66676864 -5.69492949 -3.21537525
H 3.10208842 -4.39920275 -2.30235101
C 0.36748573 -6.17766941 -3.18141745
H -1.52444462 -6.10243393 -2.18133793
H 2.34916674 -6.03217835 -3.98201702
H 0.03856521 -6.89204646 -3.92184360
130
conf 175  E=-192.85648971 Eh  dE=5.298 kcal/mol  pop=0.00%
Ir 0.01848793 -0.09607012 0.12829601
C -1.34773757 0.93754433 1.39084745
C -0.88578081 1.63915450 2.53133581
C -2.72675502 1.13030004 1.18769539
C -1.67272983 2.44238326 3.32972828
H 0.14815778 1.53148751 2.82542660
C -3.55496546 1.92786578 1.99232895
C -3.02678879 2.60886704 3.06162111
H -1.23281422 2.94153584 4.18444116
H -3.64864186 3.23448417 3.68647333
C -1.42314307 -1.16997496 -0.97359867
C -2.82789482 -1.10087779 -0.88965106
C -0.99247314 -2.23156562 -1.79862280
C -3.70544113 -2.02078254 -1.47995569
C -1.83395911 -3.11157330 -2.44411309
H 0.07137248 -2.35517800 -1.96762319
C -3.20996562 -3.03671482 -2.26202074
H -1.42202277 -3.87682494 -3.08962896
H -3.87316781 -3.75115952 -2.72926566
C -0.15432346 -1.84094514 1.33008057
C -1.09661072 -1.88657906 2.38465510
C 0.50829900 -3.07272929 1.17070614
C -1.34183329 -2.99282983 3.17007888
H -1.65620801 -0.99175015 2.61810082
C 0.29715008 -4.20640597 1.96968739
C -0.64006097 -4.17637984 2.97358548
H -2.08002179 -2.93564853 3.96057475
H -0.81680219 -5.04209974 3.59631455
C 1.64803191 -0.73488389 -1.06356150
C 2.42219186 -1.90423607 -0.91260400
C 2.24356108 0.17714983 -1.96488988
C 3.68340791 -2.10542289 -1.49128786
C 3.45161162 -0.02325158 -2.59762668
H 1.71469324 1.09078866 -2.20493763
C 4.21155818 -1.15633587 -2.33315377
H 3.82153478 0.71691072 -3.29602568
H 5.18329125 -1.29503347 -2.78630264
C -0.25827937 1.63468833 -1.05833263
C -1.25966602 1.65620956 -2.05641576
C 0.30242664 2.91273965 -0.85122120
C -1.68026645 2.79289679 -2.71559070
H -1.70160743 0.72003652 -2.37132036
C -0.16367722 4.09413955 -1.44360699
C -1.17638667 4.04115992 -2.37223308
H -2.42570114 2.71536863 -3.49718031
H -1.55027798 4.94142915 -2.83968816
C 1.63435893 0.61737379 1.31000396
C 2.28892597 1.85923518 1.23073909
C 2.19686539 -0.20762835 2.31303734
C 3.34608420 2.26534474 2.05891865
C 3.24683651 0.15672554 3.12929867
H 1.76843112 -1.18597302 2.48077382
C 3.83569413 1.41116317 3.01696346
H 3.60891928 -0.53713887 3.87811484
H 4.64731229 1.70825353 3.66613131
H -4.61614897 1.99477351 1.77245514
H -4.77374122 -1.94044649 -1.30650795
H 0.88389439 -5.10349431 1.79801516
H 4.25068875 -3.00104515 -1.25879111
H 0.26644947 5.04926979 -1.15867182
H 3.76831172 3.25896733 1.94328634
P -3.64105625 0.27277432 -0.08544455
P 1.84617417 3.10165107 0.02716299
P 1.77659476 -3.33777037 -0.06223153
C -4.32975925 1.46038878 -1.28131744
C -4.24877640 2.82883419 -1.05005237
C -4.96138606 0.99037952 -2.42875692
C -4.82443740 3.71507753 -1.94236676
H -3.72378723 3.19612361 -0.18048095
C -5.52783819 1.88187268 -3.32123769
H -4.99776812 -0.07163605 -2.62523356
C -5.46873894 3.24438394 -3.07467533
H -4.76282108 4.77733755 -1.75708531
H -6.01641454 1.51375522 -4.21178577
H -5.91641508 3.93851634 -3.77079867
C -5.09367651 -0.42685844 0.75090943
C -4.83996535 -1.46931301 1.63927462
C -6.38830854 0.04778483 0.58631733
C -5.87785045 -2.03482663 2.35329744
H -3.82433490 -1.82607728 1.75210258
C -7.42441711 -0.52502802 1.30463828
H -6.58529947 0.85885077 -0.10220083
C -7.17143635 -1.56261046 2.18614840
H -5.68183129 -2.84401220 3.04118690
H -8.43251564 -0.15834160 1.17612123
H -7.98363062 -2.00431526 2.74446044
C 1.78678357 4.69401157 0.89368916
C 2.74508237 5.68887959 0.74842937
C 0.72233503 4.87041739 1.77417770
C 2.63214943 6.85924600 1.47959351
H 3.57256644 5.54851542 0.06564067
C 0.61691700 6.04042773 2.50057836
H -0.01172067 4.08087467 1.87402072
C 1.57185306 7.03570826 2.35311568
H 3.37532226 7.63533345 1.36741024
H -0.20883299 6.17912580 3.18273293
H 1.48982366 7.95085240 2.92084540
C 3.21441108 3.25512350 -1.16666480
C 3.06319388 4.06440092 -2.28922925
C 4.40742224 2.56863954 -0.97009778
C 4.10330926 4.20217453 -3.18952814
H 2.12648578 4.57539109 -2.46081307
C 5.44660980 2.71504135 -1.87146051
H 4.51606145 1.91311012 -0.11875045
C 5.29928340 3.53411426 -2.97834573
H 3.98107339 4.83060327 -4.05973015
H 6.37150550 2.18035304 -1.71251464
H 6.11121155 3.64506444 -3.68208247
C 3.17427929 -4.12902265 0.78746859
C 3.43163274 -5.49275114 0.71533924
C 3.97427454 -3.31159972 1.58177273
C 4.48633836 -6.03190610 1.43171045
H 2.81318605 -6.12919683 0.09625160
C 5.02476455 -3.85637245 2.29440090
H 3.76340510 -2.25146002 1.62424345
C 5.28140631 -5.21726632 2.22060017
H 4.68793744 -7.09166459 1.37302446
H 5.64551542 -3.22128709 2.90913838
H 6.10313615 -5.64327691 2.77717682
C 1.21869466 -4.60200799 -1.25299860
C 1.99515185 -4.87020912 -2.37665176
C 0.03662641 -5.30536886 -1.05012642
C 1.60347113 -5.84717401 -3.27303106
H 2.89902844 -4.30501216 -2.55286971
C -0.34606632 -6.28704079 -1.94695659
H -0.58730438 -5.07304557 -0.19962728
C 0.43711464 -6.56346335 -3.05529959
H 2.20887414 -6.05057452 -4.14432139
H -1.26428848 -6.83195836 -1.78337435
H 0.13497427 -7.32902503 -3.75481889
130
conf 176  E=-192.85640457 Eh  dE=5.351 kcal/mol  pop=0.00%
Ir 0.01308590 0.13159469 -0.08029248
C -1.29444438 1.37661105 1.00302347
C -0.74876965 2.42761016 1.77123705
C -2.70236604 1.40491746 0.98412686
C -1.49457498 3.37401832 2.44014555
H 0.33005681 2.49465041 1.86445634
C -3.48438502 2.38789442 1.60665067
C -2.88145927 3.37874369 2.34430329
H -0.99722937 4.12957925 3.03532626
H -3.47123797 4.13909180 2.83696315
C -1.46043910 -0.71592177 -1.35829269
C -2.84608216 -0.79470471 -1.12278049
C -1.08993299 -1.40947300 -2.53590928
C -3.75968051 -1.49073654 -1.92893067
C -1.96266254 -2.11778636 -3.33508569
H -0.05925354 -1.37631439 -2.85748305
C -3.31802126 -2.18040907 -3.03169763
H -1.58950029 -2.62306562 -4.21742082
H -4.00671578 -2.73220264 -3.65612360
C -0.48866019 -1.53623779 1.12439357
C -1.42580057 -1.40621257 2.17641816
C -0.14892259 -2.88568701 0.89108151
C -1.98433101 -2.46811813 2.85782311
H -1.68471473 -0.41482486 2.52361614
C -0.76825645 -3.98328683 1.50368665
C -1.71186066 -3.77757083 2.48215653
H -2.66125569 -2.28109414 3.68195456
H -2.20329496 -4.60996763 2.96619593
C 1.52099712 -0.80164793 -1.25424470
C 1.96865191 -2.13309349 -1.19574319
C 2.20993842 -0.06339164 -2.24584355
C 2.95909250 -2.68824611 -2.01927081
C 3.18767866 -0.58037044 -3.07031116
H 1.94940496 0.97508631 -2.39806554
C 3.57722309 -1.91102748 -2.96857823
H 3.65355180 0.05749552 -3.81127212
H 4.33785951 -2.32250912 -3.61704905
C 0.07693321 1.88207697 -1.27701907
C -0.91689137 2.10097309 -2.25995786
C 0.95531098 2.97701431 -1.17236097
C -1.01529189 3.23450879 -3.03782152
H -1.64894400 1.32518274 -2.43630230
C 0.88858644 4.13565288 -1.96015447
C -0.10332375 4.27459514 -2.89942978
H -1.80717127 3.31400720 -3.77237789
H -0.16874055 5.16181589 -3.51335971
C 1.68071658 0.56477306 1.15051433
C 2.64682484 1.57676022 0.97269054
C 2.07165851 -0.36534064 2.14238862
C 3.89002387 1.61235130 1.62015799
C 3.26294164 -0.32124430 2.83355090
H 1.39015436 -1.16366845 2.40407557
C 4.21149804 0.65396864 2.54970190
H 3.46980426 -1.06430676 3.59353274
H 5.16830595 0.66665496 3.05279789
H -4.56354819 2.37696594 1.49313827
H -4.81738409 -1.47263682 -1.68494291
H -0.51015937 -4.99171033 1.19564736
H 3.23002872 -3.73314747 -1.90338413
H 1.62345802 4.92198322 -1.82395196
H 4.61027740 2.38322920 1.36940838
P -3.64738972 0.10610880 0.19739054
P 2.32602038 3.03063620 -0.02174739
P 1.33993575 -3.30057432 -0.00142057
C -5.06612869 0.93508484 -0.57995937
C -6.38575983 0.54476719 -0.39167514
C -4.76734580 1.98584245 -1.44390181
C -7.40009399 1.20898144 -1.06028909
H -6.61917445 -0.27262060 0.27759825
C -5.78390431 2.64392622 -2.10791385
H -3.73384653 2.27782473 -1.57716523
C -7.10164672 2.25574534 -1.91629703
H -8.42678038 0.90691307 -0.91233519
H -5.55232982 3.46054099 -2.77567827
H -7.89713462 2.76999646 -2.43512439
C -4.41146692 -1.03745930 1.39013351
C -4.50387175 -2.39625199 1.11148289
C -4.94288105 -0.53742113 2.57493101
C -5.15095734 -3.23960353 1.99607525
H -4.05618045 -2.79130782 0.21135335
C -5.58128422 -1.38735203 3.45923846
H -4.84363525 0.51329870 2.80677339
C -5.69546835 -2.73712467 3.16646526
H -5.22572411 -4.29392005 1.77360726
H -5.99101479 -0.99676389 4.37952524
H -6.20047660 -3.39790332 3.85575907
C 2.10256680 4.49630494 1.03951272
C 0.88530074 5.16907523 1.06042106
C 3.14396804 4.93926343 1.85084136
C 0.71748835 6.27360267 1.87608934
H 0.07228385 4.82206078 0.43960554
C 2.96959619 6.04182396 2.66604394
H 4.09478664 4.42666218 1.83967135
C 1.75664628 6.71210332 2.67980337
H -0.23002959 6.79227946 1.88456403
H 3.78287340 6.38137737 3.29082131
H 1.62381888 7.57473306 3.31601139
C 3.83910232 3.39259081 -0.96180178
C 4.53721713 2.31639132 -1.50240593
C 4.27309509 4.69059146 -1.20900897
C 5.65583999 2.53780535 -2.28260864
H 4.19387848 1.31117874 -1.30075828
C 5.39492892 4.90561120 -1.98996048
H 3.74357254 5.53197226 -0.78196258
C 6.08528550 3.83254744 -2.52910849
H 6.19472423 1.69937826 -2.69896107
H 5.73134370 5.91486561 -2.17822623
H 6.95965213 4.00596381 -3.13896271
C 2.66119151 -3.60594259 1.21310927
C 3.88557340 -2.95706996 1.09918357
C 2.43389092 -4.46401999 2.28589091
C 4.87907475 -3.18497176 2.03430930
H 4.05390852 -2.26964616 0.28346771
C 3.42936688 -4.68522807 3.21887760
H 1.47369489 -4.94842139 2.39275975
C 4.65505602 -4.04999597 3.09208604
H 5.82794991 -2.67781427 1.94058534
H 3.24861464 -5.35099001 4.05027824
H 5.43052502 -4.22341482 3.82375372
C 1.05924966 -4.87083186 -0.86113312
C -0.01705013 -4.89392136 -1.74471361
C 1.86780979 -5.99047660 -0.71419200
C -0.28513322 -6.03723498 -2.47188309
H -0.62979918 -4.00706427 -1.84792919
C 1.59189050 -7.13301301 -1.44601437
H 2.70604635 -5.96706604 -0.03053922
C 0.51905319 -7.15755739 -2.32187598
H -1.11965671 -6.05735813 -3.15711082
H 2.21770203 -8.00639580 -1.33316008
H 0.31007331 -8.05178586 -2.89038163
130
conf 177  E=-192.85637561 Eh  dE=5.370 kcal/mol  pop=0.00%
Ir -0.02243172 -0.01303251 -0.12128669
C -1.15344960 1.21429391 1.17669325
C -0.48474458 2.07119600 2.08017670
C -2.53498766 1.49217696 1.11278290
C -1.09137188 3.08909866 2.78538238
H 0.56801487 1.90547781 2.27053341
C -3.16065976 2.56979317 1.75428157
C -2.43441244 3.38620454 2.58825463
H -0.51255916 3.67528645 3.48797417
H -2.90024712 4.22220674 3.09112974
C -1.64759366 -0.84745881 -1.20780072
C -3.02286299 -0.73019615 -0.93438046
C -1.40395229 -1.72309210 -2.29324848
C -4.04196007 -1.38433791 -1.64278825
C -2.38341899 -2.39298741 -2.99550120
H -0.38505338 -1.86985349 -2.62282242
C -3.72670544 -2.23439406 -2.67450481
H -2.10461645 -3.04174468 -3.81690279
H -4.49916538 -2.75063704 -3.22702891
C -0.38028269 -1.75154559 1.02662152
C -1.41104489 -1.73422117 1.99243960
C 0.15500750 -3.04334802 0.85003883
C -1.85606024 -2.84217012 2.68154867
H -1.87283594 -0.78648951 2.24240099
C -0.32628846 -4.19814464 1.48224540
C -1.34035233 -4.10264936 2.40527590
H -2.62518057 -2.73342404 3.43577516
H -1.71763096 -4.98199612 2.90837183
C 1.36294004 -0.86629445 -1.49106312
C 1.99867745 -2.11876753 -1.40868033
C 1.81879981 -0.12108086 -2.60530613
C 2.95271863 -2.59706515 -2.31995666
C 2.77218603 -0.55527147 -3.50180738
H 1.38363104 0.85004716 -2.79354893
C 3.35639905 -1.80991636 -3.37067451
H 3.06005325 0.08285951 -4.32836698
H 4.09370852 -2.16090970 -4.07896621
C -0.10794797 1.76294142 -1.28976859
C -1.11347120 1.91772089 -2.27455796
C 0.69208680 2.91496348 -1.17902263
C -1.29883926 3.05438516 -3.03325933
H -1.77636981 1.08774552 -2.47499654
C 0.54022593 4.07697125 -1.95057156
C -0.46845219 4.15868550 -2.87952961
H -2.09319552 3.08277092 -3.76909134
H -0.60141261 5.04700974 -3.48098352
C 1.78235718 0.41284602 0.89681714
C 2.65730106 1.49860775 0.68684298
C 2.34966144 -0.56303456 1.74688796
C 3.97741361 1.56074859 1.15386537
C 3.61911857 -0.49224894 2.28102719
H 1.74396067 -1.41002485 2.04295471
C 4.47174610 0.55281359 1.94763218
H 3.96161720 -1.26553053 2.95705059
H 5.48683686 0.58438535 2.31818198
H -4.21270428 2.76971237 1.57769286
H -5.07984108 -1.20992943 -1.37651758
H 0.09084671 -5.16825571 1.23160151
H 3.36194524 -3.59521014 -2.19635321
H 1.23049534 4.90474529 -1.81899195
H 4.61123227 2.39777295 0.87841426
P -3.66735701 0.34813987 0.33682713
P 2.07514498 3.01643377 -0.05288257
P 1.62480139 -3.31189893 -0.13179793
C -4.98288785 1.32970525 -0.43895593
C -4.57501299 2.36625153 -1.27454878
C -6.33538215 1.04992848 -0.28741348
C -5.51625287 3.11964165 -1.94854701
H -3.51740929 2.56922574 -1.38056279
C -7.27306776 1.80915322 -0.96609924
H -6.65349515 0.24499731 0.36194587
C -6.86619741 2.84109565 -1.79540818
H -5.19960421 3.92493528 -2.59487543
H -8.32496081 1.59279338 -0.84815114
H -7.60245656 3.42907527 -2.32330936
C -4.52980726 -0.65023729 1.59424590
C -5.08064235 -0.02090879 2.70702869
C -4.65257605 -2.02779037 1.45211837
C -5.76640448 -0.75984043 3.65292500
H -4.96368029 1.04568555 2.83405937
C -5.34545296 -2.76097816 2.39909315
H -4.19670379 -2.52289250 0.60736069
C -5.90726528 -2.12982040 3.49632524
H -6.19241223 -0.26677499 4.51456886
H -5.44057835 -3.83058645 2.28243963
H -6.44811640 -2.70452272 4.23382603
C 1.73421290 4.25913802 1.23508705
C 0.64744684 5.11921878 1.12581577
C 2.58169144 4.35515559 2.33478421
C 0.43181522 6.08590995 2.09162538
H -0.03396770 5.02087039 0.29360406
C 2.35660492 5.31861897 3.30062887
H 3.40782244 3.66590657 2.43769840
C 1.28723269 6.19133749 3.17594710
H -0.41232198 6.75369058 2.00180366
H 3.01569775 5.38817244 4.15382022
H 1.11536498 6.94559187 3.92984859
C 3.46066641 3.70748373 -1.00017158
C 4.01006429 2.87900792 -1.97568596
C 3.95204797 4.99409191 -0.82062566
C 5.04959629 3.33638716 -2.76156464
H 3.61299195 1.87953146 -2.09860988
C 4.99465721 5.44550606 -1.61205395
H 3.52313085 5.63733198 -0.06372272
C 5.54289049 4.62009581 -2.57956968
H 5.47833334 2.69422138 -3.51668928
H 5.37970490 6.44523457 -1.47241120
H 6.35661560 4.97769332 -3.19312292
C 3.09504898 -3.56286594 0.91545200
C 4.32070825 -3.00807437 0.56476678
C 2.99167639 -4.32842383 2.07307300
C 5.43667175 -3.24655985 1.34667211
H 4.39575019 -2.38048141 -0.31095301
C 4.10909228 -4.55654981 2.85503428
H 2.03367038 -4.73376096 2.36571074
C 5.33505865 -4.02441864 2.48815688
H 6.38710813 -2.81571260 1.06803777
H 4.02374573 -5.15000706 3.75374842
H 6.20746584 -4.20753532 3.09819646
C 1.38774738 -4.90351026 -0.97352337
C 0.22763377 -5.02689480 -1.73431861
C 2.30102425 -5.94863373 -0.92204443
C -0.01644199 -6.19166336 -2.43497992
H -0.47305037 -4.20244684 -1.75937035
C 2.04872707 -7.11421263 -1.62569170
H 3.20257707 -5.85240518 -0.33157247
C 0.89422456 -7.23658278 -2.38066906
H -0.91667045 -6.28850149 -3.02378119
H 2.75678634 -7.92916198 -1.58420893
H 0.70319877 -8.14811460 -2.92757970
130
conf 178  E=-192.85633641 Eh  dE=5.394 kcal/mol  pop=0.00%
Ir -0.14670660 -0.33948213 -0.00415848
C -1.15902737 0.67643553 1.54704796
C -0.53339228 0.98085719 2.77870014
C -2.46265811 1.20389432 1.47732787
C -1.09519858 1.76471701 3.76493516
H 0.44112873 0.55911824 2.98323329
C -3.04874411 2.02377090 2.45236982
C -2.35265898 2.33326057 3.59554277
H -0.55016652 1.94214266 4.68409972
H -2.78455451 2.97132451 4.35377737
C -1.86876987 -1.22147224 -0.82310397
C -3.20457690 -0.80085007 -0.67630785
C -1.75998724 -2.42346280 -1.55480771
C -4.31245022 -1.48859570 -1.19019720
C -2.83004426 -3.11493310 -2.07888707
H -0.77046381 -2.82499746 -1.73456270
C -4.12873800 -2.65380929 -1.89570855
H -2.66305023 -4.02722198 -2.63815912
H -4.97357658 -3.19631546 -2.29626669
C -0.26912866 -2.12014372 1.14894081
C -1.33779993 -2.27195372 2.06126098
C 0.49449416 -3.29883934 1.03509900
C -1.60435230 -3.42122586 2.77244016
H -1.99438584 -1.42908495 2.23087940
C 0.23734342 -4.48795485 1.73256250
C -0.81647524 -4.55465969 2.61083006
H -2.43961566 -3.44699247 3.46132383
H -1.02752398 -5.46376811 3.15622483
C 1.06963164 -1.16265703 -1.54946116
C 1.94678080 -2.25909301 -1.42969909
C 1.17688905 -0.55343966 -2.82191188
C 2.86268803 -2.66774886 -2.41154817
C 2.06477026 -0.93386318 -3.80588809
H 0.50829088 0.25951988 -3.06500351
C 2.94405426 -1.99057147 -3.60324154
H 2.07462354 -0.40592351 -4.75168113
H 3.65173821 -2.28592053 -4.36520243
C -0.42314087 1.39708647 -1.20150740
C -1.39980704 1.39331963 -2.23254791
C 0.23619472 2.63975857 -1.13317311
C -1.68920129 2.46460394 -3.05053822
H -1.92231343 0.47132267 -2.44798799
C -0.07481058 3.76262782 -1.91502147
C -1.05163281 3.68703952 -2.87601427
H -2.42707145 2.35567881 -3.83503777
H -1.29649732 4.53893454 -3.49434928
C 1.66445341 0.29991839 0.89677833
C 2.31713037 1.54383769 0.81522124
C 2.33455470 -0.57463023 1.78449835
C 3.49943560 1.87783778 1.49219938
C 3.48665798 -0.27102944 2.47739382
H 1.89651592 -1.54423117 1.98161053
C 4.09780709 0.96833473 2.32836663
H 3.91622252 -1.00207665 3.15082137
H 5.00376963 1.21295328 2.86449752
H -4.05459624 2.40393409 2.30393575
H -5.31580633 -1.11321377 -1.01937015
H 0.85788467 -5.36216378 1.56565643
H 3.50384794 -3.52411835 -2.22695171
H 0.47659441 4.68506985 -1.77001626
H 3.92947750 2.86549328 1.36269407
P -3.60198936 0.71712006 0.18769965
P 1.71608077 2.90985333 -0.16686514
P 1.93329481 -3.37078175 -0.02816195
C -4.00451202 2.11698719 -0.89830754
C -3.52665071 3.38857798 -0.60750391
C -4.83439934 1.91758754 -1.99757771
C -3.88945264 4.45718067 -1.40691941
H -2.86107783 3.53023592 0.23234144
C -5.19154936 2.99002467 -2.79270173
H -5.18612115 0.92209282 -2.23001645
C -4.72442044 4.26079482 -2.49464624
H -3.51794887 5.44602607 -1.18138718
H -5.83460558 2.83675957 -3.64746667
H -5.00747905 5.09731889 -3.11669668
C -5.16764833 0.37252159 1.04821704
C -5.17966460 -0.74498223 1.87977654
C -6.30197549 1.16699735 0.94282319
C -6.31814130 -1.06793673 2.59123948
H -4.29058841 -1.35759619 1.94966802
C -7.44181065 0.83676609 1.65670981
H -6.29636384 2.03871742 0.30237003
C -7.45216136 -0.27729636 2.47875507
H -6.32532615 -1.93663122 3.23298159
H -8.32509332 1.45289329 1.56978506
H -8.34442014 -0.53054471 3.03203041
C 1.47245710 4.34825422 0.91155031
C 1.65638495 5.66189321 0.48991900
C 0.99782382 4.09465790 2.19518250
C 1.39284638 6.70603178 1.35888151
H 2.01187660 5.87234788 -0.50959288
C 0.72946295 5.14263935 3.05503332
H 0.83885319 3.07056212 2.50284206
C 0.93323898 6.44944007 2.64051063
H 1.54695756 7.72488652 1.03371537
H 0.36099935 4.93956896 4.04949246
H 0.73210947 7.26943009 3.31408800
C 3.04379658 3.30603726 -1.33969750
C 3.06107232 2.57025643 -2.52183648
C 4.07235634 4.20247049 -1.06867593
C 4.07952236 2.75394332 -3.43716286
H 2.27383452 1.85225666 -2.70550472
C 5.08596981 4.38568606 -1.99289246
H 4.08412172 4.75902152 -0.14145595
C 5.08872126 3.66831297 -3.17785973
H 4.08832584 2.18199864 -4.35307665
H 5.87896193 5.08969116 -1.78532670
H 5.88179266 3.81804124 -3.89558738
C 3.51352228 -3.26666624 0.87308982
C 4.53492161 -2.44223646 0.41658974
C 3.69764633 -4.02589674 2.02462165
C 5.74086235 -2.40110558 1.09282337
H 4.37640011 -1.82864893 -0.45857544
C 4.90326111 -3.97562684 2.69957103
H 2.89357567 -4.64739930 2.39313903
C 5.92857815 -3.16953693 2.23005143
H 6.53420056 -1.76142873 0.73511072
H 5.04415769 -4.56537175 3.59382269
H 6.87087148 -3.13469972 2.75702508
C 1.95428996 -5.05224667 -0.72383904
C 0.77379859 -5.51653304 -1.29818947
C 3.09118819 -5.85111478 -0.74459607
C 0.73065542 -6.76893713 -1.87903737
H -0.10766557 -4.89071234 -1.27069376
C 3.04176239 -7.10627862 -1.32655195
H 4.01221995 -5.49560223 -0.30220154
C 1.86499586 -7.56622011 -1.89305901
H -0.18777547 -7.12728943 -2.32014569
H 3.92625574 -7.72656585 -1.33693520
H 1.83102588 -8.54658210 -2.34485880
130
conf 179  E=-192.85631607 Eh  dE=5.407 kcal/mol  pop=0.00%
Ir -0.00527072 0.16410473 -0.11720183
C -1.31650279 1.36122007 1.02070794
C -0.77494883 2.39665463 1.81298437
C -2.72468425 1.37878680 1.01336704
C -1.52353958 3.31776286 2.51331336
H 0.30368419 2.47421986 1.89791291
C -3.51082298 2.33426845 1.67277658
C -2.91133291 3.30986472 2.43290581
H -1.02758188 4.06333814 3.12211070
H -3.50404373 4.04912557 2.95334484
C -1.48373722 -0.64390842 -1.41665496
C -2.86836240 -0.73463443 -1.17722309
C -1.11750644 -1.29347901 -2.62012428
C -3.78529448 -1.39747676 -2.00724511
C -1.99373225 -1.96878196 -3.44388581
H -0.08706594 -1.25238023 -2.94161171
C -3.34846536 -2.04029576 -3.13994072
H -1.62354633 -2.44102947 -4.34548991
H -4.04028705 -2.56389385 -3.78491251
C -0.48011337 -1.56175562 1.01290350
C -1.41636438 -1.48559976 2.07137664
C -0.11943305 -2.89594281 0.72959016
C -1.95070793 -2.57987969 2.71961863
H -1.69288059 -0.51106075 2.45155180
C -0.71118301 -4.02486119 1.31192804
C -1.65196471 -3.87089014 2.30184337
H -2.62707130 -2.43339550 3.55230179
H -2.12210537 -4.72856047 2.76220846
C 1.50598444 -0.70446653 -1.34031317
C 1.97709403 -2.02921556 -1.33329157
C 2.18033181 0.08021125 -2.30643690
C 2.98020360 -2.53497254 -2.17291049
C 3.16418147 -0.38939708 -3.15180739
H 1.90350814 1.11883719 -2.42220528
C 3.58237692 -1.71383622 -3.09487018
H 3.61414273 0.28295930 -3.87172129
H 4.35136843 -2.08691057 -3.75656953
C 0.04908577 1.95830181 -1.24453508
C -0.95167627 2.21299250 -2.21132422
C 0.93739736 3.04265724 -1.11620393
C -1.04444211 3.36663827 -2.95967917
H -1.69239261 1.44862775 -2.40130979
C 0.87606045 4.22157301 -1.87355595
C -0.12025038 4.39320881 -2.80270877
H -1.84057306 3.47257283 -3.68618795
H -0.18054757 5.29581650 -3.39430194
C 1.64650546 0.56705195 1.14631285
C 2.60595459 1.59214899 1.01696819
C 2.01792147 -0.37669187 2.13313073
C 3.82527580 1.63322836 1.70807723
C 3.18424181 -0.32916223 2.86559833
H 1.34088930 -1.18996963 2.35617153
C 4.12765094 0.66446348 2.63311996
H 3.37564132 -1.08361095 3.61840096
H 5.06526336 0.68312618 3.17101986
H -4.59097766 2.31390069 1.57061267
H -4.84201359 -1.38975539 -1.75791825
H -0.43410786 -5.01729188 0.97097429
H 3.27445988 -3.57649322 -2.09059740
H 1.61816730 4.99804956 -1.72182754
H 4.54185051 2.41879092 1.49638535
P -3.66534123 0.10234777 0.18699747
P 2.31234222 3.05824829 0.03085171
P 1.36139355 -3.26130968 -0.19812331
C -5.10193159 0.94821229 -0.53801177
C -4.82089614 2.01352490 -1.39010938
C -6.41841600 0.56627330 -0.31474315
C -5.85148212 2.69323007 -2.00896164
H -3.78934562 2.29939119 -1.54919676
C -7.44714024 1.25314684 -0.93719880
H -6.63847237 -0.26198013 0.34557346
C -7.16613996 2.31343193 -1.78230585
H -5.63350978 3.52039819 -2.66825809
H -8.47155508 0.95836660 -0.76130081
H -7.97278273 2.84525004 -2.26493346
C -4.40215769 -1.09359901 1.34528780
C -4.50330634 -2.43843073 1.00835125
C -4.89970080 -0.64720087 2.56574575
C -5.12373175 -3.32147818 1.87311166
H -4.08244834 -2.79203970 0.07845168
C -5.51215883 -1.53672982 3.42929542
H -4.79337452 0.39231247 2.84160853
C -5.63352441 -2.87249166 3.08036541
H -5.20443487 -4.36506348 1.60645712
H -5.89465521 -1.18811920 4.37785774
H -6.11639635 -3.56452951 3.75470523
C 2.10587358 4.51760191 1.10362908
C 0.87349605 5.15960911 1.17236265
C 3.16452525 4.98473914 1.87813276
C 0.70634304 6.25466220 2.00048530
H 0.04858962 4.79695473 0.57666087
C 2.99082697 6.07780795 2.70642514
H 4.12939051 4.50141943 1.82693760
C 1.76198059 6.71523363 2.76972140
H -0.25310550 6.74897324 2.04496611
H 3.81755659 6.43561847 3.30272637
H 1.62978647 7.57010451 3.41640133
C 3.83777901 3.39672880 -0.89792009
C 4.53700831 2.30793041 -1.41090864
C 4.28486273 4.68784459 -1.15816741
C 5.66956533 2.50933352 -2.17633570
H 4.18250333 1.30833181 -1.20126658
C 5.42116458 4.88297309 -1.92311835
H 3.75520932 5.53970522 -0.75278166
C 6.11283429 3.79701961 -2.43437862
H 6.20812967 1.66058979 -2.57163801
H 5.76833860 5.88685141 -2.12038808
H 6.99888897 3.95554336 -3.03129150
C 2.69491222 -3.61571261 0.98692899
C 3.84536381 -2.83481431 0.99277778
C 2.54869322 -4.63497982 1.92441622
C 4.84798888 -3.08730804 1.91158147
H 3.94722615 -2.02865190 0.28124134
C 3.55379735 -4.88194404 2.84027422
H 1.64633528 -5.22970819 1.93730559
C 4.70623620 -4.11107891 2.83304933
H 5.73878330 -2.47676112 1.91213663
H 3.43877991 -5.67559743 3.56418576
H 5.48946248 -4.30638733 3.55078815
C 1.08087385 -4.78353926 -1.13971906
C -0.04376471 -4.79235749 -1.96110617
C 1.94377554 -5.87206033 -1.12495539
C -0.30753904 -5.89198598 -2.75437563
H -0.69657806 -3.92855311 -1.96546261
C 1.67195302 -6.97082911 -1.92211883
H 2.82151968 -5.85952628 -0.49248705
C 0.54952377 -6.98239191 -2.73376548
H -1.18001147 -5.90091287 -3.39083739
H 2.34034138 -7.81953436 -1.91124934
H 0.34401462 -7.84261785 -3.35360029
130
conf 180  E=-192.85629538 Eh  dE=5.420 kcal/mol  pop=0.00%
Ir -0.09786074 0.08910778 0.11991218
C -1.52505728 1.11612379 1.30334781
C -1.09186948 2.03972592 2.28365460
C -2.92812320 1.09436977 1.19221287
C -1.92944367 2.81956151 3.05163347
H -0.03081399 2.13800681 2.46690248
C -3.80487694 1.86535710 1.96954309
C -3.30965570 2.74020920 2.90475893
H -1.50946489 3.49671121 3.78516267
H -3.97240012 3.34285023 3.50965614
C -1.45638329 -0.93870156 -1.13586794
C -2.84740931 -1.09176156 -0.96030042
C -0.95885503 -1.79146056 -2.14944624
C -3.63411795 -2.04093463 -1.62822435
C -1.72051789 -2.69441136 -2.85890067
H 0.08768199 -1.72733044 -2.41512282
C -3.07097417 -2.86023629 -2.57552450
H -1.25892049 -3.29261632 -3.63452554
H -3.66413273 -3.60037045 -3.09426916
C -0.31083463 -1.67473312 1.29275391
C -1.30731223 -1.74837329 2.29510486
C 0.44643305 -2.85773770 1.22813332
C -1.50440331 -2.83154795 3.12653568
H -1.95480702 -0.89664233 2.45151193
C 0.27011539 -3.97522467 2.05719619
C -0.71021348 -3.96741509 3.01986362
H -2.28439626 -2.79346594 3.87686700
H -0.85488895 -4.81497303 3.67497142
C 1.53578482 -0.54700951 -1.06833342
C 2.36841638 -1.66304314 -0.84078259
C 2.03895203 0.27983639 -2.10012807
C 3.61968644 -1.86318368 -1.43887367
C 3.22637661 0.05782551 -2.76708503
H 1.43519950 1.10919931 -2.44393648
C 4.06777788 -0.98342398 -2.39596615
H 3.51804393 0.71443921 -3.57711374
H 5.03091763 -1.11714786 -2.86842443
C -0.25521509 1.89138097 -0.95979688
C -1.41223968 2.11640203 -1.73692882
C 0.59029583 3.01713807 -0.92493672
C -1.69012336 3.29171968 -2.40090610
H -2.13075409 1.31042150 -1.84104800
C 0.30616412 4.24270883 -1.54374866
C -0.83797108 4.38469841 -2.29192089
H -2.58640069 3.37068941 -3.00332409
H -1.06671655 5.32065724 -2.78218255
C 1.47050242 0.71739766 1.41501870
C 2.38668987 1.76367199 1.19577253
C 1.78429218 -0.01447556 2.58574308
C 3.49028494 2.04998762 2.01384563
C 2.87288561 0.23161164 3.39594144
H 1.12468542 -0.81256744 2.89348699
C 3.75468220 1.26806162 3.11173461
H 3.03618139 -0.38253396 4.27308587
H 4.60674812 1.46836944 3.74617863
H -4.87601776 1.76892305 1.82773580
H -4.68463328 -2.14477650 -1.38038207
H 0.91514404 -4.84024981 1.93737525
H 4.23474988 -2.70580474 -1.13851854
H 0.98014538 5.08400850 -1.41893652
H 4.12693113 2.89857929 1.78280446
P -3.80713762 0.03273009 0.04947908
P 2.18623892 2.95769704 -0.11966839
P 1.73607024 -3.09359919 0.01777102
C -4.84330228 1.09844929 -1.00553622
C -4.60337870 2.46754095 -1.06321057
C -5.86140036 0.54854523 -1.78011236
C -5.37513784 3.27323101 -1.88065763
H -3.81035291 2.89599496 -0.46790329
C -6.62832096 1.35844745 -2.59670040
H -6.06191764 -0.51224516 -1.73813627
C -6.38715937 2.72212270 -2.64906278
H -5.18395931 4.33576159 -1.91771009
H -7.41840114 0.92515023 -3.19262974
H -6.98868381 3.35272591 -3.28705539
C -5.00288429 -0.95849921 0.99364625
C -4.57075503 -2.17739916 1.50852390
C -6.29116941 -0.51162195 1.26817691
C -5.41834482 -2.93886950 2.29025302
H -3.56851429 -2.51706895 1.28690106
C -7.13570920 -1.27965860 2.04994688
H -6.63943148 0.42836889 0.86111579
C -6.70125962 -2.49065759 2.56346841
H -5.07841172 -3.88420850 2.68710129
H -8.13685673 -0.93140318 2.25890284
H -7.36420730 -3.08571373 3.17415675
C 2.39760730 4.58372933 0.66527845
C 1.38042018 4.98753211 1.52673883
C 3.51166818 5.39210222 0.47945516
C 1.47675075 6.19431767 2.19126014
H 0.51825036 4.34670644 1.65702736
C 3.60120223 6.60158331 1.14757402
H 4.30364491 5.07911574 -0.18787817
C 2.58760300 7.00292097 2.00141406
H 0.68675212 6.50822972 2.85741944
H 4.46606780 7.23217842 1.00061432
H 2.66303253 7.94747540 2.51964377
C 3.57008193 2.85928618 -1.29904168
C 4.69301087 2.09083043 -1.01444022
C 3.51433488 3.58867074 -2.48277872
C 5.76125662 2.07786258 -1.89273102
H 4.72080785 1.49322409 -0.11506458
C 4.58230657 3.56497027 -3.36075843
H 2.62962000 4.16215154 -2.71941263
C 5.71067761 2.81746528 -3.06287493
H 6.63373246 1.48282546 -1.66610309
H 4.53480204 4.12992267 -4.28052911
H 6.54544558 2.80423474 -3.74830344
C 3.12512913 -3.90351458 0.85290800
C 3.79154579 -3.13160273 1.80169159
C 3.51315601 -5.21636893 0.62027316
C 4.84559245 -3.67361163 2.51076874
H 3.46836631 -2.11139267 1.96785069
C 4.57179831 -5.75185530 1.33438998
H 2.98963494 -5.81326420 -0.11470828
C 5.23612460 -4.98407315 2.27662873
H 5.36405435 -3.07753183 3.24713844
H 4.87772390 -6.77246536 1.15573207
H 6.06000302 -5.40857942 2.83117215
C 1.12261833 -4.27221583 -1.22660646
C -0.12064681 -4.87546015 -1.07369443
C 1.88726828 -4.54594983 -2.35740165
C -0.58126449 -5.76239797 -2.02993792
H -0.72788362 -4.64088488 -0.21182658
C 1.42025681 -5.43086225 -3.31110336
H 2.84065482 -4.05469440 -2.49266684
C 0.18792577 -6.04414868 -3.14650751
H -1.54843358 -6.22711375 -1.90720861
H 2.01582194 -5.63975321 -4.18801546
H -0.17557891 -6.73344850 -3.89455263
130
conf 181  E=-192.85622014 Eh  dE=5.467 kcal/mol  pop=0.00%
Ir -0.01557256 0.13811085 -0.12527959
C -1.31379954 1.37611435 0.98261676
C -0.76193006 2.41219988 1.76696317
C -2.72166793 1.40687143 0.97424571
C -1.50242751 3.34550222 2.46037464
H 0.31705574 2.47852337 1.85311839
C -3.49835552 2.37726817 1.62277882
C -2.88981309 3.35253897 2.37628460
H -0.99966040 4.08887481 3.06633450
H -3.47556028 4.10243045 2.88933574
C -1.49951066 -0.71181398 -1.39238352
C -2.88782876 -0.76293646 -1.16661774
C -1.13454660 -1.41388005 -2.56659225
C -3.81085473 -1.43211138 -1.98465791
C -2.01730888 -2.09475120 -3.37867987
H -0.09957789 -1.40865609 -2.87617198
C -3.37694909 -2.12216617 -3.09028761
H -1.64845096 -2.60493839 -4.26005146
H -4.07387361 -2.64953984 -3.72655348
C -0.51119363 -1.52879023 1.08560185
C -1.44892371 -1.40348491 2.13777246
C -0.18051283 -2.87860284 0.84013177
C -2.02195521 -2.46888536 2.80149874
H -1.69807933 -0.41463214 2.49875462
C -0.81486137 -3.97828500 1.43328028
C -1.76393066 -3.77582444 2.40716516
H -2.70004598 -2.28630278 3.62563403
H -2.26931646 -4.60925567 2.87482629
C 1.48594735 -0.79692923 -1.30155145
C 1.95320401 -2.12106365 -1.22444073
C 2.16090403 -0.06237619 -2.30526349
C 2.95206251 -2.67218625 -2.04029429
C 3.14349852 -0.57723827 -3.12523939
H 1.88422768 0.97023808 -2.47068145
C 3.55591369 -1.89923558 -3.00231055
H 3.59601976 0.05562748 -3.87858051
H 4.32193108 -2.30828678 -3.64597707
C 0.02043942 1.88984312 -1.32211349
C -0.99789818 2.10621634 -2.28083802
C 0.88288342 2.99789468 -1.22162814
C -1.13811148 3.25160845 -3.03407952
H -1.71631790 1.31853364 -2.45867721
C 0.77027210 4.17117431 -1.98224757
C -0.24805018 4.30991172 -2.89224441
H -1.94722475 3.32714025 -3.75005457
H -0.34953256 5.21000308 -3.48199067
C 1.66531261 0.58830041 1.07737565
C 2.61715228 1.61261840 0.89589636
C 2.07170581 -0.33607584 2.06846932
C 3.85351177 1.67613932 1.55405503
C 3.26070728 -0.27134579 2.76172067
H 1.40380523 -1.14725343 2.32639805
C 4.18888338 0.72587313 2.48667143
H 3.48074245 -1.01273487 3.51954660
H 5.14053509 0.76025078 2.99835091
H -4.57828650 2.36945487 1.51710748
H -4.86953375 -1.39257167 -1.74751048
H -0.56410124 -4.98499635 1.11375232
H 3.23882721 -3.71127220 -1.90997789
H 1.48856667 4.97196478 -1.84591357
H 4.55511041 2.46616370 1.31165222
P -3.67826254 0.12947191 0.16584766
P 2.29965640 3.04765982 -0.12779220
P 1.32007706 -3.28928814 -0.03302923
C -5.08992998 0.98839778 -0.59110993
C -6.41254613 0.60314325 -0.41393491
C -4.78277871 2.06277995 -1.42248004
C -7.42177527 1.29633579 -1.06061294
H -6.65209571 -0.23249982 0.23022382
C -5.79429226 2.74972176 -2.06453335
H -3.74705491 2.35048043 -1.54735035
C -7.11513908 2.36704695 -1.88344945
H -8.45088918 0.99856688 -0.92105794
H -5.55626665 3.58515406 -2.70621935
H -7.90662049 2.90474049 -2.38435117
C -4.44552475 -1.03232918 1.33896181
C -4.53455448 -2.38666085 1.03788736
C -4.97674298 -0.55408782 2.53286707
C -5.17590930 -3.24718526 1.91001160
H -4.08858612 -2.76522199 0.12982029
C -5.60954952 -1.42111961 3.40452816
H -4.88149482 0.49282713 2.78253765
C -5.71839152 -2.76655598 3.09042319
H -5.24701378 -4.29793262 1.67010143
H -6.01843508 -1.04738685 4.33218960
H -6.21747001 -3.44090009 3.77086412
C 2.14511279 4.54187741 0.90331852
C 0.90357514 5.15121987 1.05412119
C 3.25096323 5.06808127 1.56570851
C 0.77242960 6.27061472 1.85554646
H 0.04488174 4.74444989 0.54036392
C 3.11383415 6.18717089 2.36575873
H 4.22346619 4.61236716 1.44577121
C 1.87487583 6.79002093 2.51366190
H -0.19474537 6.73893130 1.96522475
H 3.97688224 6.59278858 2.87329500
H 1.77150483 7.66502661 3.13832869
C 3.78365990 3.35204974 -1.13322958
C 4.48823628 2.25043380 -1.60959210
C 4.18107306 4.63413981 -1.49957608
C 5.57327288 2.43012314 -2.44649506
H 4.17584020 1.25799846 -1.31650380
C 5.26884167 4.80756318 -2.33631083
H 3.65109780 5.49791483 -1.12107512
C 5.96326851 3.70815753 -2.81402132
H 6.11565895 1.57127706 -2.81370736
H 5.57520441 5.80476207 -2.61714767
H 6.80971278 3.84897162 -3.46995069
C 2.62076426 -3.59918161 1.20227706
C 3.86090857 -2.98083631 1.09459894
C 2.36087836 -4.43832010 2.28239670
C 4.83790383 -3.22127378 2.04413554
H 4.05363304 -2.30694527 0.27329475
C 3.34022152 -4.67275726 3.22904460
H 1.38784071 -4.89716966 2.38359813
C 4.58199569 -4.06882075 3.10859470
H 5.79930252 -2.73798648 1.95657603
H 3.13452902 -5.32491508 4.06519126
H 5.34541241 -4.25332008 3.85018564
C 1.05596444 -4.86202080 -0.89388584
C 0.01115709 -4.87969565 -1.81471489
C 1.84137304 -5.99175846 -0.70537838
C -0.24823684 -6.02734433 -2.53808650
H -0.58513325 -3.98561254 -1.94784382
C 1.57357159 -7.13898463 -1.43292097
H 2.65522989 -5.97308972 0.00718828
C 0.53233140 -7.15797257 -2.34615949
H -1.05824575 -6.04345429 -3.25223232
H 2.18078476 -8.02051645 -1.28676496
H 0.32917326 -8.05606452 -2.91065203
130
conf 182  E=-192.85612821 Eh  dE=5.525 kcal/mol  pop=0.00%
Ir -0.07524262 0.10364044 0.12115178
C -1.51619835 1.11475030 1.29658124
C -1.09861129 2.02986722 2.29110113
C -2.91867920 1.05750194 1.19421276
C -1.95126530 2.76328343 3.08786039
H -0.03846179 2.15676870 2.46223101
C -3.81008988 1.77822316 2.00226441
C -3.33008922 2.64049610 2.95735890
H -1.54483177 3.43594591 3.83286296
H -4.00354472 3.20202964 3.58916336
C -1.41102802 -0.91892899 -1.16506887
C -2.80198035 -1.08572685 -1.00422139
C -0.90125634 -1.73944194 -2.19886898
C -3.57540449 -2.02932551 -1.69503920
C -1.65142301 -2.63039759 -2.93533052
H 0.14490473 -1.65858064 -2.45972804
C -2.99993148 -2.81975438 -2.65937197
H -1.18106231 -3.20309450 -3.72442304
H -3.58270755 -3.55464854 -3.19695602
C -0.30419021 -1.65256275 1.31369089
C -1.28090906 -1.70318050 2.33787471
C 0.41834064 -2.85596520 1.23265494
C -1.49603520 -2.78598904 3.16541404
H -1.89665523 -0.83378876 2.51791492
C 0.22135183 -3.97503472 2.05524020
C -0.74284062 -3.94678533 3.03346049
H -2.25932194 -2.72794912 3.93151975
H -0.90436019 -4.79589431 3.68249726
C 1.56680866 -0.55091991 -1.04225882
C 2.36276369 -1.69673521 -0.83438083
C 2.10052883 0.28308144 -2.05186454
C 3.60712477 -1.92584993 -1.43629604
C 3.28000759 0.03540680 -2.72399629
H 1.52559731 1.14125150 -2.37524674
C 4.08392573 -1.04308300 -2.37672056
H 3.59377161 0.69838013 -3.52052946
H 5.04115603 -1.20055487 -2.85358585
C -0.24013679 1.91117858 -0.94989710
C -1.41053029 2.14388028 -1.70463317
C 0.59826930 3.04236969 -0.90675084
C -1.70915938 3.33119015 -2.33723060
H -2.12616095 1.33561523 -1.81308715
C 0.29565749 4.27830931 -1.49578772
C -0.86275875 4.42803934 -2.21993389
H -2.61744415 3.41686909 -2.92035574
H -1.10705174 5.37272418 -2.68537859
C 1.49571560 0.73438936 1.40988167
C 2.41860643 1.77275149 1.17820042
C 1.81907620 -0.00103068 2.57576842
C 3.53646737 2.04735975 1.98076314
C 2.92320409 0.23152043 3.36839991
H 1.15582889 -0.79286582 2.89188364
C 3.81066427 1.25979521 3.07217123
H 3.09520661 -0.38686752 4.24093152
H 4.67468538 1.44997111 3.69319373
H -4.87945150 1.65040465 1.87037656
H -4.62479352 -2.15298332 -1.45145465
H 0.83681171 -4.85853039 1.91666227
H 4.19461890 -2.79343926 -1.15249038
H 0.96724495 5.12102252 -1.36635408
H 4.17643159 2.89187550 1.74385104
P -3.77579241 0.01806118 0.01516203
P 2.20637335 2.97570721 -0.12746579
P 1.69452070 -3.11778829 0.01383444
C -4.80249132 1.10627237 -1.02636360
C -4.60727089 2.48360175 -1.00433448
C -5.77190427 0.56583401 -1.86738410
C -5.37795458 3.30639817 -1.80581203
H -3.84899028 2.90553233 -0.36109936
C -6.53655259 1.39271996 -2.66881016
H -5.93427781 -0.50177549 -1.89082255
C -6.34243867 2.76459266 -2.63902547
H -5.22224940 4.37515873 -1.78013036
H -7.28811215 0.96615373 -3.31706504
H -6.94244404 3.40848047 -3.26489122
C -4.97358754 -1.00640145 0.91899347
C -4.51450725 -2.21074735 1.44491024
C -6.28675041 -0.60924586 1.14509754
C -5.36197338 -3.00975736 2.18795832
H -3.49093287 -2.50785074 1.26218379
C -7.13148905 -1.41565163 1.88756752
H -6.65240201 0.32172270 0.73232245
C -6.67168134 -2.61335608 2.40999169
H -5.00144569 -3.94362352 2.59345636
H -8.15289601 -1.10793352 2.05834772
H -7.33573382 -3.23876027 2.98822713
C 2.43785423 4.59298530 0.67036513
C 1.44549003 4.98592531 1.56525998
C 3.54795987 5.40248357 0.46573713
C 1.56298800 6.18210108 2.24533546
H 0.58563586 4.34475275 1.70911202
C 3.65903474 6.60118315 1.14991021
H 4.32038582 5.09893799 -0.22826869
C 2.67074180 6.99089928 2.03808962
H 0.79259296 6.48738187 2.93799735
H 4.52133646 7.23195876 0.98883689
H 2.76358898 7.92628470 2.57003057
C 3.56985866 2.89551589 -1.33245644
C 4.71250591 2.14899582 -1.06927937
C 3.47541419 3.62023112 -2.51648827
C 5.76216460 2.15369525 -1.96989038
H 4.76957806 1.55366208 -0.16991440
C 4.52520214 3.61471761 -3.41665392
H 2.57459604 4.17541452 -2.73580110
C 5.67334277 2.88937452 -3.14041940
H 6.64997064 1.57483898 -1.76123223
H 4.44758367 4.17624878 -4.33650431
H 6.49384152 2.89012090 -3.84284671
C 3.06437694 -3.96193710 0.84708046
C 3.75352045 -3.20569562 1.79238897
C 3.41146943 -5.28771833 0.62278558
C 4.78970659 -3.77634244 2.50551212
H 3.46185181 -2.17515932 1.95337962
C 4.45244105 -5.85182021 1.34066079
H 2.86941594 -5.87270883 -0.10840123
C 5.13966102 -5.09958958 2.27910129
H 5.32617444 -3.19250499 3.23885796
H 4.72621449 -6.88262524 1.16804942
H 5.94966450 -5.54616741 2.83676824
C 1.04886619 -4.28070799 -1.22757904
C -0.22364751 -4.82226671 -1.08694675
C 1.81817284 -4.60694865 -2.34092872
C -0.70937794 -5.70268154 -2.03650590
H -0.83172266 -4.54616292 -0.23812072
C 1.32586674 -5.48477444 -3.28852598
H 2.79576414 -4.16339986 -2.46737121
C 0.06427431 -6.03793956 -3.13508921
H -1.69880031 -6.12003791 -1.92277727
H 1.92591837 -5.73707949 -4.15090865
H -0.31744829 -6.72287786 -3.87777372
130
conf 183  E=-192.85591683 Eh  dE=5.657 kcal/mol  pop=0.00%
Ir -0.19783875 -0.29067079 0.00321752
C -1.24550680 0.71198063 1.54876418
C -0.62413182 1.06115108 2.77060586
C -2.55849440 1.21647207 1.47032988
C -1.19338167 1.86523089 3.73578537
H 0.35639824 0.65963720 2.98553537
C -3.15774539 2.04658326 2.42908402
C -2.46324372 2.40226727 3.55948238
H -0.64626444 2.08040640 4.64561913
H -2.90416768 3.05228427 4.30218729
C -1.90829101 -1.14668720 -0.88780707
C -3.25746682 -0.78538277 -0.70491898
C -1.76979105 -2.31219094 -1.67321765
C -4.34828906 -1.50074679 -1.21832154
C -2.82233788 -3.02725964 -2.20095545
H -0.77080845 -2.66719015 -1.89171398
C -4.13456195 -2.63212596 -1.96846439
H -2.63001702 -3.90890626 -2.79989212
H -4.96553249 -3.19730491 -2.36663091
C -0.35812707 -2.10689827 1.07383096
C -1.44731942 -2.29615992 1.95317625
C 0.42087273 -3.27273229 0.93680741
C -1.72864386 -3.47614140 2.60610715
H -2.10509452 -1.45788713 2.14326697
C 0.15011449 -4.49087438 1.57585692
C -0.93209100 -4.59915300 2.41551747
H -2.58134830 -3.53506594 3.27121529
H -1.15603393 -5.53255523 2.91262021
C 1.02106300 -1.06456950 -1.55282031
C 1.93164982 -2.13403047 -1.44328729
C 1.08981417 -0.45114117 -2.82554174
C 2.86165430 -2.50064468 -2.42739733
C 1.98744275 -0.79542118 -3.81436774
H 0.38200299 0.33075300 -3.06203322
C 2.91468670 -1.81103963 -3.61405885
H 1.96894802 -0.27005743 -4.76148881
H 3.63426557 -2.07145043 -4.37755239
C -0.39637184 1.50138999 -1.12308166
C -1.43487783 1.60828110 -2.08303780
C 0.37303680 2.67946526 -1.07411985
C -1.68705128 2.72349688 -2.85340946
H -2.05003274 0.74049775 -2.27965659
C 0.11426055 3.84342508 -1.81313526
C -0.92974412 3.87880930 -2.70345609
H -2.48698814 2.70092579 -3.58254307
H -1.13949123 4.76444125 -3.28628145
C 1.61381399 0.25048066 0.97483141
C 2.40104932 1.40749124 0.82309140
C 2.17281241 -0.62614038 1.93817946
C 3.61663245 1.64788822 1.48076045
C 3.34648955 -0.40125611 2.62552919
H 1.62363993 -1.51870831 2.20668776
C 4.10607022 0.73687971 2.38324587
H 3.68096419 -1.11910379 3.36386158
H 5.03688171 0.90941229 2.90467538
H -4.17322729 2.39928951 2.27803681
H -5.36163806 -1.17389128 -1.01032646
H 0.78231960 -5.35381793 1.39496198
H 3.53370699 -3.33459414 -2.25027736
H 0.75590195 4.70912860 -1.69024719
H 4.15843725 2.56693902 1.28476128
P -3.69834691 0.69987309 0.19237246
P 1.90330404 2.81414958 -0.16042495
P 1.90189974 -3.27909984 -0.06935317
C -4.16207232 2.09085214 -0.88417021
C -3.73966010 3.38182895 -0.59220457
C -4.97590969 1.85739969 -1.98840319
C -4.14719785 4.43491515 -1.39074444
H -3.08147924 3.55201469 0.24788556
C -5.37619830 2.91409759 -2.78473383
H -5.28283833 0.84805870 -2.22466842
C -4.96802092 4.20396952 -2.48261318
H -3.81908734 5.43857645 -1.16359596
H -6.00636998 2.73281694 -3.64356348
H -5.28417221 5.02817761 -3.10515285
C -5.24688805 0.30571007 1.06236840
C -5.24667595 -0.84207758 1.85079763
C -6.38254762 1.10374352 1.00607648
C -6.37467742 -1.19172255 2.56683136
H -4.35813307 -1.45790751 1.88288871
C -7.51092687 0.74762616 1.72506703
H -6.38701073 1.99876859 0.39869902
C -7.50942075 -0.39724550 2.50339399
H -6.37287868 -2.08477629 3.17417873
H -8.39448019 1.36732868 1.67613905
H -8.39294559 -0.67124210 3.06072498
C 1.77945031 4.24810938 0.94436007
C 2.07424265 5.55013185 0.55178242
C 1.27092570 4.00849028 2.21796402
C 1.88937396 6.59451131 1.44074015
H 2.45237317 5.75145490 -0.44130043
C 1.08258507 5.05700635 3.09788359
H 1.02153381 2.99551993 2.50104998
C 1.39860324 6.35054828 2.71308350
H 2.12828275 7.60383947 1.13796694
H 0.68790922 4.86552001 4.08455589
H 1.25907249 7.17040812 3.40221662
C 3.22634466 3.13785974 -1.35956497
C 3.14328425 2.45762099 -2.57151622
C 4.33542853 3.93286423 -1.08806207
C 4.14620192 2.59264972 -3.51222251
H 2.29006069 1.82071062 -2.75842097
C 5.33302607 4.06852472 -2.03763883
H 4.42145294 4.44925917 -0.14166754
C 5.23874677 3.40436582 -3.24965507
H 4.07706336 2.06303543 -4.45068688
H 6.18907996 4.69403961 -1.82920870
H 6.02024340 3.51632587 -3.98672927
C 3.44162668 -3.17867416 0.89542901
C 4.48392129 -2.35962244 0.47912385
C 3.58121426 -3.95227231 2.04352442
C 5.66685266 -2.33469023 1.19526204
H 4.35760490 -1.73594266 -0.39432757
C 4.76463487 -3.91913249 2.75751899
H 2.75942299 -4.56997935 2.37785270
C 5.81070832 -3.11649580 2.32985571
H 6.47712053 -1.69881035 0.87032619
H 4.87231725 -4.51938916 3.64946147
H 6.73559344 -3.09513079 2.88748974
C 1.98026353 -4.93457121 -0.82031132
C 0.84076728 -5.37329657 -1.49022182
C 3.11568257 -5.73474485 -0.79355050
C 0.83618226 -6.60258126 -2.11945888
H -0.03903110 -4.74442403 -1.49883960
C 3.10465640 -6.96718639 -1.42438641
H 4.00498239 -5.39806053 -0.27788992
C 1.96885163 -7.40190130 -2.08634253
H -0.05003301 -6.94113568 -2.63569131
H 3.98744503 -7.58942931 -1.39859769
H 1.96549550 -8.36429105 -2.57632474
130
conf 184  E=-192.85401342 Eh  dE=6.852 kcal/mol  pop=0.00%
Ir 0.02193782 -0.01685409 -0.01639094
C -1.27224145 1.14321694 1.21290465
C -0.73519241 1.92806830 2.26102664
C -2.64646244 1.39717304 1.02556699
C -1.44679843 2.86026318 2.98734755
H 0.29612249 1.78069673 2.54804096
C -3.38015721 2.37443120 1.71321279
C -2.77785603 3.12859798 2.69033999
H -0.95772013 3.40050351 3.78844514
H -3.32813582 3.89108334 3.22376734
C -1.48636165 -0.93061446 -1.20513720
C -2.88215682 -0.76823495 -1.13524138
C -1.12168429 -1.87346330 -2.19528421
C -3.81154836 -1.43654453 -1.94478121
C -2.01169425 -2.54046262 -3.01106619
H -0.07305030 -2.08576322 -2.35279698
C -3.38067248 -2.33062332 -2.89425405
H -1.63800480 -3.23504491 -3.75314327
H -4.08319402 -2.84937029 -3.53120526
C -0.33078659 -1.73588258 1.17123044
C -1.32942401 -1.70098486 2.17303008
C 0.19679337 -3.03246419 1.00615026
C -1.75300705 -2.79374573 2.89850753
H -1.79057026 -0.75342468 2.41558529
C -0.24583602 -4.16821748 1.69915729
C -1.23252429 -4.05780270 2.64767278
H -2.50866153 -2.66767825 3.66365204
H -1.58325214 -4.92527031 3.18907113
C 1.55442142 -0.82297034 -1.23246513
C 2.18540827 -2.07771028 -1.12706534
C 2.15253070 -0.01800791 -2.23088886
C 3.27976068 -2.49058238 -1.90074198
C 3.21855676 -0.40388972 -3.01509726
H 1.74640945 0.96727489 -2.41588755
C 3.80936427 -1.65144272 -2.84993027
H 3.60182265 0.27459130 -3.76684744
H 4.65204989 -1.95640820 -3.45442267
C -0.08263283 1.74384537 -1.20519254
C -1.02178920 1.83137598 -2.26137479
C 0.54333247 2.98431783 -0.96504604
C -1.33596719 2.99032778 -2.93942499
H -1.52127693 0.93180498 -2.59059434
C 0.22006877 4.18344865 -1.61688012
C -0.74275604 4.19980644 -2.59545108
H -2.06116497 2.95936805 -3.74320186
H -1.01259096 5.11880518 -3.09673450
C 1.70449120 0.55274732 1.13791199
C 2.43581338 1.75512154 1.10913535
C 2.26594538 -0.37910608 2.04134867
C 3.57196802 2.02047619 1.88586021
C 3.37284446 -0.14115900 2.82829360
H 1.79571456 -1.34831449 2.14882376
C 4.04772849 1.07195334 2.75804667
H 3.72103416 -0.90890878 3.50794400
H 4.91737047 1.26472962 3.37033661
H -4.42063220 2.54684511 1.46041658
H -4.87139616 -1.24332571 -1.81802337
H 0.18274347 -5.13849479 1.47536553
H 3.70818022 -3.47459379 -1.74477679
H 0.72174396 5.10268944 -1.33532919
H 4.07335537 2.97760966 1.79604885
P -3.67888539 0.33159286 0.02775659
P 2.00413507 3.13519766 0.05463619
P 1.61613743 -3.37405894 -0.03104430
C -4.86554872 1.37098621 -0.86822216
C -4.38311564 2.55209612 -1.42472749
C -6.19194112 1.00283366 -1.06591630
C -5.22298612 3.36037318 -2.16662605
H -3.34809358 2.82343324 -1.26727657
C -7.02756052 1.81698823 -1.81008331
H -6.57302488 0.08841813 -0.63072226
C -6.54595677 2.99385813 -2.35997091
H -4.84621043 4.27777126 -2.59424766
H -8.05859655 1.53178721 -1.96123375
H -7.20340603 3.62584365 -2.93865430
C -4.67382818 -0.71330135 1.13518199
C -4.39929490 -2.07425085 1.21787880
C -5.66975400 -0.16202041 1.93712079
C -5.12165257 -2.87515913 2.08351439
H -3.61810833 -2.49768035 0.60376802
C -6.38935298 -0.96788870 2.79915512
H -5.88694176 0.89526320 1.88143082
C -6.11740482 -2.32519038 2.87338025
H -4.90294637 -3.93108984 2.14277194
H -7.16513409 -0.53716076 3.41544852
H -6.68231771 -2.95161154 3.54797787
C 1.87377290 4.65061257 1.04507365
C 0.61883600 5.00171116 1.53320030
C 2.98290436 5.42499179 1.37112541
C 0.47580323 6.11392949 2.34091494
H -0.23636867 4.39455522 1.27187876
C 2.83268416 6.53803592 2.17885361
H 3.95953777 5.16834403 0.98283074
C 1.58228894 6.88247698 2.66630280
H -0.50068600 6.38182276 2.71658792
H 3.69468064 7.13982538 2.42788637
H 1.47117518 7.75233106 3.29680975
C 3.41803906 3.39979323 -1.05749623
C 4.26503120 2.33091727 -1.33212712
C 3.62111035 4.62066548 -1.69522801
C 5.30825350 2.48557212 -2.22626567
H 4.09708462 1.38227502 -0.84296758
C 4.66760215 4.76994063 -2.58592811
H 2.96810763 5.45692111 -1.48781039
C 5.51211090 3.70383322 -2.85330492
H 5.96214897 1.65170052 -2.43490507
H 4.82538458 5.72067940 -3.07422755
H 6.32790261 3.82496844 -3.55072220
C 3.02508696 -3.87383058 1.00637242
C 4.06108064 -2.97022730 1.22087242
C 3.06055399 -5.11874467 1.62879099
C 5.11643320 -3.30776957 2.04796090
H 4.03143139 -2.00473773 0.73690861
C 4.11885710 -5.45115116 2.45392070
H 2.26894370 -5.83491120 1.45890356
C 5.14669105 -4.54643730 2.66742433
H 5.91663381 -2.60063778 2.20995497
H 4.14280246 -6.41989914 2.93154824
H 5.97067166 -4.80963054 3.31417877
C 1.22292844 -4.84238824 -1.02720182
C -0.08847273 -5.00073862 -1.46579953
C 2.19356104 -5.76212289 -1.41173003
C -0.42372348 -6.06660498 -2.27910890
H -0.83693085 -4.28224998 -1.16222671
C 1.85127155 -6.82817809 -2.22402529
H 3.21288477 -5.65529913 -1.06565883
C 0.54524402 -6.98118069 -2.66033548
H -1.44321172 -6.18446951 -2.61576516
H 2.60667762 -7.54280269 -2.51708551
H 0.28350670 -7.81496378 -3.29499516
130
conf 185  E=-192.85378857 Eh  dE=6.993 kcal/mol  pop=0.00%
Ir -0.00000000 -0.00003298 -0.00000000
C 1.05263195 1.40347270 1.19804451
C 1.94165175 0.94285164 2.19853255
C 1.09295275 2.80590224 1.07597778
C 2.75108077 1.75379567 2.96573495
H 1.98913713 -0.11683698 2.40674614
C 1.92316887 3.65248280 1.82469629
C 2.76622979 3.13037537 2.77433094
H 3.38701417 1.31114371 3.72210949
H 3.41158408 3.77045914 3.35940947
C -1.05263195 1.40347270 -1.19804451
C -1.09295275 2.80590224 -1.07597778
C -1.94165175 0.94285164 -2.19853255
C -1.92316887 3.65248280 -1.82469629
C -2.75108077 1.75379567 -2.96573495
H -1.98913713 -0.11683698 -2.40674614
C -2.76622979 3.13037537 -2.77433094
H -3.38701417 1.31114371 -3.72210949
H -3.41158408 3.77045914 -3.35940947
C -1.74187075 0.21019239 1.19782346
C -1.78742770 1.21034576 2.19834925
C -2.97646020 -0.45636218 1.07595374
C -2.89440271 1.50578718 2.96561764
H -0.89343863 1.78126978 2.40655710
C -4.12469614 -0.16071074 1.82474220
C -4.09409008 0.83051548 2.77430771
H -2.82904717 2.27794151 3.72189568
H -4.97110673 1.06940573 3.35935518
C -0.68900145 -1.61352968 -1.19786086
C -1.88343310 -2.34957888 -1.07583909
C 0.15427846 -2.15296159 -2.19852336
C -2.20152435 -3.49181979 -1.82458084
C -0.14333953 -3.25936946 -2.96575180
H 1.09570545 -1.66420720 -2.40678392
C -1.32787080 -3.96083540 -2.77426612
H 0.55796798 -3.58875208 -3.72214237
H -1.55950813 -4.83979417 -3.35931649
C 1.74187075 0.21019239 -1.19782346
C 1.78742770 1.21034576 -2.19834925
C 2.97646020 -0.45636218 -1.07595374
C 2.89440271 1.50578718 -2.96561764
H 0.89343863 1.78126978 -2.40655710
C 4.12469614 -0.16071074 -1.82474220
C 4.09409008 0.83051548 -2.77430771
H 2.82904717 2.27794151 -3.72189568
H 4.97110673 1.06940573 -3.35935518
C 0.68900145 -1.61352968 1.19786086
C 1.88343310 -2.34957888 1.07583909
C -0.15427846 -2.15296159 2.19852336
C 2.20152435 -3.49181979 1.82458084
C 0.14333953 -3.25936946 2.96575180
H -1.09570545 -1.66420720 2.40678392
C 1.32787080 -3.96083540 2.77426612
H -0.55796798 -3.58875208 3.72214237
H 1.55950813 -4.83979417 3.35931649
H 1.90237540 4.72176755 1.64615301
H -1.90237540 4.72176755 -1.64615301
H -5.04031112 -0.71340531 1.64625259
H -3.13789466 -4.00851409 -1.64593680
H 5.04031112 -0.71340531 -1.64625259
H 3.13789466 -4.00851409 1.64593680
P -0.00000000 3.72816594 0.00000000
P 3.22863322 -1.86412048 -0.00006126
P -3.22863322 -1.86412048 0.00006126
C 1.04051772 4.82134273 -1.01099421
C 2.31841492 4.38073917 -1.34234198
C 0.58073755 6.03694515 -1.50863032
C 3.12666655 5.14788908 -2.15978615
H 2.66793242 3.43434680 -0.95490804
C 1.39544074 6.80147557 -2.32387735
H -0.40653369 6.39410787 -1.24921378
C 2.66679994 6.35874092 -2.65212344
H 4.11715599 4.79958999 -2.41286759
H 1.03741470 7.74716464 -2.70429437
H 3.29845374 6.95961452 -3.28965481
C -1.04051772 4.82134273 1.01099421
C -2.31841492 4.38073917 1.34234198
C -0.58073755 6.03694515 1.50863032
C -3.12666655 5.14788908 2.15978615
H -2.66793242 3.43434680 0.95490804
C -1.39544074 6.80147557 2.32387735
H 0.40653369 6.39410787 1.24921378
C -2.66679994 6.35874092 2.65212344
H -4.11715599 4.79958999 2.41286759
H -1.03741470 7.74716464 2.70429437
H -3.29845374 6.95961452 3.28965481
C 4.69560077 -1.50960301 1.01092613
C 4.95285586 -0.18260715 1.34235537
C 5.51850425 -2.51555820 1.50852826
C 6.02130031 0.13381678 2.15985161
H 4.30796913 0.59324821 0.95493329
C 6.58789787 -2.19223379 2.32384144
H 5.33427051 -3.54914133 1.24904226
C 6.84004427 -0.86983484 2.65216993
H 6.21482110 1.16575625 2.41299233
H 7.22791362 -2.97510988 2.70425362
H 7.67618791 -0.62321792 3.28976177
C 3.65508324 -3.31181263 -1.01111796
C 2.63455425 -4.19819381 -1.34248408
C 4.93771667 -3.52147205 -1.50874389
C 2.89480013 -5.28177567 -2.15987660
H 1.64018618 -4.02765399 -0.95509345
C 5.19246613 -4.60932216 -2.32395536
H 5.74067481 -2.84505196 -1.24935657
C 4.17337077 -5.48900003 -2.65216847
H 2.09791652 -5.96541892 -2.41294380
H 6.19047085 -4.77213612 -2.70435983
H 4.37792332 -6.33651135 -3.28963912
C -3.65508324 -3.31181263 1.01111796
C -2.63455425 -4.19819381 1.34248408
C -4.93771667 -3.52147205 1.50874389
C -2.89480013 -5.28177567 2.15987660
H -1.64018618 -4.02765399 0.95509345
C -5.19246613 -4.60932216 2.32395536
H -5.74067481 -2.84505196 1.24935657
C -4.17337077 -5.48900003 2.65216847
H -2.09791652 -5.96541892 2.41294380
H -6.19047085 -4.77213612 2.70435983
H -4.37792332 -6.33651135 3.28963912
C -4.69560077 -1.50960301 -1.01092613
C -4.95285586 -0.18260715 -1.34235537
C -5.51850425 -2.51555820 -1.50852826
C -6.02130031 0.13381678 -2.15985161
H -4.30796913 0.59324821 -0.95493329
C -6.58789787 -2.19223379 -2.32384144
H -5.33427051 -3.54914133 -1.24904226
C -6.84004427 -0.86983484 -2.65216993
H -6.21482110 1.16575625 -2.41299233
H -7.22791362 -2.97510988 -2.70425362
H -7.67618791 -0.62321792 -3.28976177
130
conf 186  E=-192.85267031 Eh  dE=7.695 kcal/mol  pop=0.00%
Ir 0.21955544 0.22959170 0.08352801
C -1.36293527 1.21014382 1.06384464
C -1.08930122 2.35056407 1.84495761
C -2.66980119 0.72299486 1.26596903
C -1.94624656 2.87396699 2.78780401
H -0.13354291 2.84058262 1.69872505
C -3.53843252 1.19409305 2.25965681
C -3.16764470 2.25880705 3.04554989
H -1.66153428 3.74992270 3.35746680
H -3.81460936 2.61806037 3.83349748
C -0.99467815 -0.89501318 -1.22159286
C -2.33576598 -1.28340609 -1.02137550
C -0.47232827 -1.42484278 -2.42873384
C -3.04267335 -2.17486569 -1.84238816
C -1.16660800 -2.25530258 -3.28353132
H 0.51449252 -1.11661654 -2.74518766
C -2.45321339 -2.68257006 -2.97520977
H -0.70341886 -2.58478460 -4.20482074
H -2.98579377 -3.36372333 -3.62361860
C -0.02911858 -1.29651977 1.51485293
C -0.55798903 -1.02361392 2.80111169
C 0.22685068 -2.66651489 1.32809292
C -0.84557428 -1.98907271 3.74240742
H -0.72011057 0.00505622 3.08951494
C -0.07413350 -3.67149201 2.26032971
C -0.63584583 -3.33835715 3.46868698
H -1.24011437 -1.69601877 4.70706319
H -0.87887333 -4.09914453 4.19723456
C 1.87360874 -0.65616924 -0.81398736
C 2.19303982 -2.02554489 -0.87995528
C 2.80529872 0.15524392 -1.48879976
C 3.31852292 -2.53769282 -1.53856555
C 3.91290162 -0.31947885 -2.15482218
H 2.62557283 1.22489791 -1.50070947
C 4.18388484 -1.68388413 -2.18156998
H 4.57762085 0.37037634 -2.65954910
H 5.05531136 -2.06585261 -2.69460078
C 0.02524253 1.93272110 -1.19447406
C -1.03412010 1.96844734 -2.13144536
C 0.56518730 3.22062594 -0.98631028
C -1.54328045 3.11315708 -2.70466534
H -1.48729330 1.03469126 -2.42832215
C 0.06153365 4.40578096 -1.54159813
C -1.01892466 4.36080350 -2.38873489
H -2.37209395 3.04278865 -3.39834886
H -1.43626634 5.26631108 -2.80677877
C 1.76924904 1.04611425 1.34657293
C 2.45413123 2.27076127 1.21445747
C 2.32702211 0.26046970 2.38272341
C 3.50151255 2.70551570 2.04211362
C 3.36719090 0.65040673 3.19935988
H 1.92182885 -0.72342294 2.56721177
C 3.96078045 1.89763816 3.05286651
H 3.72207371 -0.02166048 3.97073915
H 4.76094924 2.21923991 3.70484185
H -4.48362194 0.69050850 2.43394630
H -4.06371399 -2.44214260 -1.58804125
H 0.14811984 -4.70784292 2.02720215
H 3.51749706 -3.60413628 -1.52956279
H 0.51547013 5.35794724 -1.28598573
H 3.93705040 3.68854977 1.88822789
P -3.41330850 -0.41949578 0.11154809
P 2.09620224 3.43423854 -0.09237536
P 1.15545087 -3.24937122 -0.08355131
C -4.54510912 0.57408977 -0.92143042
C -5.57619788 1.29419688 -0.32158353
C -4.35994780 0.67401367 -2.29602169
C -6.40857410 2.09056874 -1.08505844
H -5.72986546 1.23086515 0.74549163
C -5.19380030 1.47491900 -3.05582161
H -3.56793424 0.11859711 -2.77450537
C -6.21843502 2.18514231 -2.45440570
H -7.20741440 2.64153181 -0.61026569
H -5.04082655 1.54350553 -4.12310828
H -6.86743047 2.81122867 -3.04882881
C -4.45710787 -1.63089636 0.96543406
C -3.83972899 -2.36805798 1.97138635
C -5.77377836 -1.90036529 0.61139243
C -4.53920685 -3.36219282 2.62782759
H -2.81410526 -2.14310917 2.22955923
C -6.46897955 -2.89718925 1.27440524
H -6.25142187 -1.33272416 -0.17591368
C -5.85515532 -3.62676792 2.27974211
H -4.05797175 -3.93118636 3.40950435
H -7.49349509 -3.10720887 1.00320176
H -6.40403358 -4.40345446 2.79175080
C 2.16881716 5.10784154 0.62473326
C 1.45162575 5.35378569 1.79208096
C 2.91823330 6.13020501 0.05280865
C 1.48024059 6.60574442 2.37594965
H 0.88077657 4.55484705 2.24297693
C 2.94400358 7.38228338 0.64187278
H 3.48435513 5.94792363 -0.85057789
C 2.22646659 7.62274528 1.80152629
H 0.92328513 6.78930717 3.28294982
H 3.52972190 8.17196298 0.19392974
H 2.25182168 8.60057267 2.25924405
C 3.46393418 3.45944009 -1.30631854
C 4.73389739 2.99996414 -0.97440546
C 3.22215928 3.95202004 -2.58595261
C 5.75308739 3.05296741 -1.90795631
H 4.91574223 2.58163237 0.00482773
C 4.24586243 4.00273824 -3.51426439
H 2.22772723 4.28203537 -2.85285859
C 5.51401902 3.55935240 -3.17536846
H 6.73734558 2.69232511 -1.64663505
H 4.05263624 4.38605662 -4.50557197
H 6.31254262 3.59870759 -3.90180151
C 2.33140744 -4.44879882 0.61313251
C 3.29290118 -3.91761346 1.47022950
C 2.29480190 -5.81592772 0.37425524
C 4.21458416 -4.74823053 2.07559798
H 3.30479493 -2.84939253 1.64551241
C 3.22318352 -6.64379542 0.98355370
H 1.54542152 -6.23203251 -0.28553998
C 4.18079655 -6.11340103 1.83116300
H 4.96069265 -4.33557418 2.73835960
H 3.19659192 -7.70742294 0.79577838
H 4.90169894 -6.76426208 2.30336347
C 0.11232443 -4.24978875 -1.18314553
C -1.17328069 -4.59873992 -0.78957646
C 0.62939225 -4.73173720 -2.38226669
C -1.92767681 -5.44656842 -1.58116143
H -1.57930388 -4.20098691 0.12984009
C -0.13130587 -5.57486481 -3.16919310
H 1.62140346 -4.43620959 -2.69363030
C -1.40602803 -5.94117065 -2.76444553
H -2.92628648 -5.72000215 -1.27262877
H 0.26898824 -5.95160579 -4.09932774
H -1.99522028 -6.60668111 -3.37829014
130
conf 187  E=-192.84860166 Eh  dE=10.248 kcal/mol  pop=0.00%
Ir 0.01764989 0.02345314 -0.06703129
C -1.23821163 1.24716830 1.14732326
C -0.67591731 2.10093513 2.12447792
C -2.61183841 1.51016230 0.95768755
C -1.35772986 3.11576648 2.76531962
H 0.34974743 1.94546571 2.42690352
C -3.30945385 2.57851742 1.53938080
C -2.67587798 3.40645329 2.43543105
H -0.85333618 3.70546487 3.52094122
H -3.19629804 4.23953183 2.88741250
C -1.53605843 -0.90261949 -1.18049686
C -2.92935634 -0.75281929 -1.07183937
C -1.18872034 -1.86789674 -2.15218901
C -3.87328722 -1.43137798 -1.85672377
C -2.09079247 -2.57221468 -2.91899048
H -0.13991443 -2.06244949 -2.32001782
C -3.45736030 -2.35126542 -2.78867428
H -1.73385053 -3.29808758 -3.63899582
H -4.17066158 -2.88454432 -3.40132988
C -0.38425071 -1.69032985 1.09588818
C -1.41209183 -1.64553659 2.06716841
C 0.04422956 -3.01220062 0.84628811
C -1.98177308 -2.75400522 2.65513384
H -1.77012772 -0.67867945 2.39695790
C -0.55876039 -4.15733532 1.38265166
C -1.59290550 -4.03463131 2.27906162
H -2.74859861 -2.62805392 3.40909299
H -2.07053768 -4.90870969 2.69888740
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