85
 energy: -140.217927054495 gnorm: 0.001590206295 xtb: 6.7.0 (08769fc)
C           15.89791576069337       -2.67013917363444       -3.07672184091682
C           15.26714320602669       -3.61363449130160       -3.77569809359363
C           13.94233395272044       -3.80461720087673       -3.34078327934488
C           13.45850655600285       -3.03844786582815       -2.29344182826436
C           14.24343259691531       -2.09721065696705       -1.67115253945089
C           15.58581108025755       -1.85742616907295       -2.06288738816958
C           16.36981932533649       -0.84358416748089       -1.36246384342763
C           17.69261771789903       -0.59810848378482       -1.73020003364366
C           18.38941912309265        0.37357008736818       -1.03158916231103
C           17.76110351752094        1.06155965351379       -0.00473352915970
C           16.43748986815453        0.74320200582204        0.28602106349920
N           15.78522562657387       -0.17907510887140       -0.38180546982001
H           15.68261868646480       -4.18762348842390       -4.58607182471665
H           13.33961957122026       -4.54763167382044       -3.83949809634849
H           12.44213370031028       -3.18295578144993       -1.95640054491507
H           13.91989768874818       -1.46915595830062       -0.84707512971761
H           18.13566473351910       -1.16258643134407       -2.53808944637972
H           19.41560036123560        0.58998324488265       -1.28854830102559
H           18.27489474140646        1.82297613376050        0.55879442355983
H           15.89077930681043        1.24143271921146        1.07343174332932
C           -5.14665518637678       16.53831084253895       -1.83331806488433
C           -4.30063235152764       17.56469887604461       -1.76663544968148
C           -3.33443136457171       17.39018002226703       -0.75688653425093
C           -3.36255510914722       16.23996362811313        0.01360008909749
C           -4.31220886891050       15.26649796036166       -0.18555343101095
C           -5.31323139534589       15.38224310750582       -1.18557450929662
C           -6.29896912123029       14.31717950652347       -1.34859588005678
C           -7.29497233043176       14.42305608834638       -2.31919408424922
C           -8.20674153927838       13.38653110519027       -2.42768604946782
C           -8.10252562469108       12.29269994788177       -1.58221798575274
C           -7.07151630543985       12.28071674145822       -0.64738381655384
N           -6.21170886775607       13.26773283554786       -0.55137357923152
H           -4.31448906573039       18.44411739380465       -2.38745292814395
H           -2.59726941136879       18.16526175358489       -0.61360583815137
H           -2.62287719785003       16.10434838388320        0.78984817290630
H           -4.38494684663094       14.34685903869084        0.38648518232605
H           -7.33318528380999       15.29725853744827       -2.95313018128707
H           -8.99219217478764       13.43503356518860       -3.16682066980582
H           -8.79654840762982       11.47022137382050       -1.63949611234520
H           -6.93440087746570       11.45861647441267        0.04054410024474
C          -13.24580493474376       -8.61833641640173        2.58951617750174
C          -14.05591667415525       -9.12245469208509        1.56812453899311
C          -13.51988415090760       -9.53276078622999        0.36423418971040
C          -12.14670253668209       -9.43181816098363        0.19540408724251
S          -11.18208699777748       -9.84336864330044       -1.19513170761536
C           -9.77717389914766       -9.33764582088667       -0.34670620575633
C           -8.40580082805700       -9.33814292398925       -0.82311118265243
C           -7.80846908947937       -9.81904527395177       -1.98773109430273
C           -6.41704445273025       -9.73142394042110       -2.07473129386375
N           -5.61963005747057       -9.27229545644538       -1.12561193074032
C           -6.16851832246109       -8.80480000068019       -0.01137165513854
C           -5.45836717413614       -8.33380166050265        1.18366782265433
C           -4.08631573599733       -8.21889067241063        1.26306734500843
C           -3.49430200769424       -7.77570487892398        2.45283316532495
C           -2.06515450335101       -7.63220290401505        2.53336472116824
N           -1.26597595632448       -7.89595472841755        1.55928686448495
C            0.02954167035796       -7.67980090597175        1.87545620537860
C            1.12488051761024       -7.87849935288101        1.03137713703490
C            2.38772465547724       -7.61223680973220        1.51254909471065
C            2.58324869815846       -7.15077010634803        2.81670886279522
C            1.51840182304990       -6.94359647429488        3.67209236655191
C            0.24264879188957       -7.21002123721000        3.19885678084843
S           -1.27175117531793       -7.05793041065145        4.01728432358679
C           -4.34102413701545       -7.48050520540889        3.52648970239018
C           -5.70477507419252       -7.61688641134214        3.37011256505588
N           -6.27380159043115       -8.03153093433794        2.23858957722891
C           -7.54811128246218       -8.79037277470999        0.12863458504555
N           -9.99544433237580       -8.90004376962138        0.89327992172456
C          -11.31979928182822       -8.93174855502482        1.22117147386174
C          -11.88279307343963       -8.51895629008653        2.43008204520900
H          -13.70078098703345       -8.30065345426846        3.51423003350928
H          -15.12132386782918       -9.18712083966072        1.72215726845775
H          -14.14402863067335       -9.91657330411272       -0.42649799703458
H           -8.38659259682857      -10.26004319426882       -2.78421167196836
H           -5.90887945229100      -10.08301161971637       -2.96151576029306
H           -3.47822150779348       -8.46631541183474        0.40811164557090
H            0.95896006795476       -8.23520139483784        0.02767859523677
H            3.24439816804425       -7.76402739672924        0.87415262041360
H            3.58518945596510       -6.95263632116195        3.16417066449820
H            1.66941367486074       -6.58633048795846        4.67747200869711
H           -3.93921373427011       -7.14154438316869        4.46828102357138
H           -6.37081548615691       -7.37361837770194        4.18780878914025
H           -8.48508904368029       -6.85155481896735        1.55430926077016
H          -11.24651724363883       -8.11987186126890        3.20691485064367
Ir          -8.26489389687158       -8.31391324619596        1.87572854585770
