85
 energy: -157.063298140330 gnorm: 0.001775903898 xtb: 6.7.0 (08769fc)
F           16.62108283182436       -1.62206075496896        0.59082835169934
C           15.85468607276953       -0.69574712185553        0.04912896970898
C           16.47589230469070        0.47383059739343       -0.43851762568716
C           15.59755706779761        1.33304017807360       -0.96185650983092
C           14.25819736406827        1.31494088354495       -1.11876040873588
C           13.45033456956509        2.37125746932870       -1.73040421320494
C           14.11515539175946        3.50627277800156       -2.20549018129752
C           13.36512338136721        4.50852775097546       -2.78635769717795
C           11.98691765152948        4.36852472984348       -2.88181814771238
C           11.41483342973890        3.20428168902287       -2.37946818219490
N           12.14733544896367        2.26608430985766       -1.83412867398339
C           13.69901452354047        0.11317349861927       -0.60739800360184
F           12.39016994150719       -0.04316289426501       -0.69353942682248
C           14.48334080734173       -0.87076756268429       -0.03538254533536
H           17.54415600036253        0.59899474327227       -0.36640332794584
H           15.19280883802888        3.54550562151310       -2.09515300560852
H           13.84914438615264        5.39768941582338       -3.16199891075841
H           11.37137526426870        5.13140703475555       -3.32927896931287
H           10.35073050753923        3.02312669459241       -2.41877123196675
H           14.02559931461853       -1.77273320901022        0.34364247727677
F           -1.45223207815612       12.46368975549814        2.48847032146860
C           -2.72375712071348       12.79062838154843        2.34284180860843
C           -3.04503563005519       14.16097025624656        2.25154531048976
C           -4.36306309146706       14.34614263242024        2.13188012249360
C           -5.42282791688870       13.53085227178077        2.06926210335122
C           -6.85394433849431       13.90860615005830        1.88840897618695
C           -7.83263232093918       13.45623748584190        2.76836007609077
C           -9.13367687588769       13.87539142905332        2.52738552688966
C           -9.41022712841905       14.69971751004132        1.44938977209245
C           -8.35740245384101       15.08675674423936        0.62583636979484
N           -7.13363877701779       14.68056170324619        0.86780209909488
C           -5.03086771378470       12.17344749705117        2.17690104079947
F           -5.97423172988845       11.24420962770194        2.11058032177240
C           -3.70303709505556       11.81093109365529        2.30731462880234
H           -2.27745540614948       14.91577138592998        2.30239509027729
H           -7.58574561920226       12.82649715826678        3.60764038906584
H           -9.92647420454084       13.55058101381542        3.18500666257881
H          -10.41395024591195       15.02798682495275        1.23366490456794
H           -8.49857379594972       15.71484347021830       -0.24069501801102
H           -3.43317906697819       10.76769242859802        2.37780235792750
C          -11.91307905617888       -8.54776405720398       -2.56778812058100
C          -12.92010107665985       -8.84809474635304       -1.64536443085212
C          -12.62121845685585       -9.18437157270708       -0.34077727553630
C          -11.28532299968641       -9.21914653507993        0.03247134438299
S          -10.59204798970986       -9.58661463095124        1.58723485156711
C           -9.02684221934183       -9.33896674107863        0.92803326156446
C           -7.74649091796985       -9.46161894213151        1.60229982485175
C           -7.38781367676055       -9.88586724946130        2.88119476137935
C           -6.02277663185747       -9.97667268471300        3.16496716936447
N           -5.05125890201260       -9.73838707032109        2.30301527536939
C           -5.36752843663075       -9.32915599148380        1.08169711082456
C           -4.44132622209668       -9.09981269676495       -0.03325437900489
C           -3.07032540824722       -9.19702422021527        0.07981492779130
C           -2.26471826495270       -8.97698410885253       -1.04514429868676
C           -0.83300593082342       -9.05806005673003       -0.92388559468559
N           -0.22680141395623       -9.32966860268462        0.17777862632328
C            1.11806511995172       -9.34135140165712        0.04620568407889
C            2.03961603064515       -9.60124636423695        1.06195840079988
C            3.38614967437454       -9.57224411675871        0.75901172490325
C            3.83059783596691       -9.29045478630748       -0.53336965735178
C            2.93960251297937       -9.02847193070593       -1.55837070852305
C            1.58341294251692       -9.05433537900361       -1.26555802259308
S            0.24175798423646       -8.77110568248188       -2.31552002548999
C           -2.90426605363354       -8.67504133553814       -2.25240152530409
C           -4.28145338350388       -8.59473701995773       -2.28647293342970
N           -5.05196219135667       -8.80099981444590       -1.21951565923102
C           -6.69882635784143       -9.14177423382162        0.74063888596658
N           -9.00632412023352       -9.01297396830540       -0.36505653526198
C          -10.26204160049575       -8.92702696340821       -0.89200943792163
C          -10.58616603345878       -8.58407296138004       -2.20594346112398
H          -12.18522490383805       -8.28255616983410       -3.57703678234896
H          -13.95083465457361       -8.81290283820330       -1.95980964244661
H          -13.39744102628855       -9.41156190410361        0.37165851949469
H           -8.12494879703149      -10.15491633827863        3.62056144525196
H           -5.69347751335458      -10.29252143410279        4.14446081721306
H           -2.62616523766749       -9.43907779535904        1.03175542504190
H            1.68272333662796       -9.81851867957303        2.05508756087271
H            4.10998939366278       -9.77205049913441        1.53329601330953
H            4.88933298772399       -9.27850711854109       -0.73991260179998
H            3.28375042263009       -8.81139874685462       -2.55721156815903
H           -2.33425066833551       -8.49891936977395       -3.15109884325639
H           -4.78696423537102       -8.34474208022061       -3.21030836334481
H           -7.14284331588260       -7.26647319270979       -0.97280772084545
H           -9.79799916730491       -8.34267808710612       -2.90516762456314
Ir          -7.09861883842496       -8.76971450756303       -1.13047609319054
