80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670604-shq2/orca
  N   -3.61562529452994     -3.70420360410216      1.66293683128936
  C   -2.72588446434591     -4.38872737254447      0.75520323044568
  C   -2.38972923946927     -5.73571429241453      1.40862932974210
  N   -3.38747151533739     -6.05156296830598      2.46921640551446
  C   -4.70015180013760     -6.45805149555970      1.89784735598026
  C   -5.80124399431070     -6.24379546491995      2.91795187635354
  N   -5.70894882958322     -4.90368788834013      3.51422399849202
  Mo  -3.81990747868988     -4.13525899723331      3.60077794488802
  N   -3.08195371920426     -5.36135796202811      5.00235788434099
  C   -2.13118092607050     -6.36152079630704      4.53612767877550
  C   -2.84175015021512     -7.08241712275372      3.39498134985711
  H   -1.87649102327436     -7.07299376815294      5.33557789205436
  H   -1.19216389297307     -5.90210517074639      4.18378907217906
  H   -3.68348732105542     -7.65351535659020      3.80629080354102
  H   -2.18195102346451     -7.77500413980089      2.84853962023337
  H   -6.75783672739488     -6.37591457565617      2.38793603266417
  H   -5.77153227563307     -7.02102351210122      3.70679327480290
  H   -4.88622638386563     -5.82481034860302      1.02193224776116
  H   -4.66352693667475     -7.50975167299080      1.56661890636214
  H   -1.79114703099277     -3.83368990565196      0.55884230302873
  H   -3.23118458301977     -4.52060574779435     -0.21785617294393
  H   -1.41084140976033     -5.68221800548768      1.90021856439536
  H   -2.35483177668230     -6.55362242449418      0.67030246258010
  C   -3.85517767952795     -2.33263822969388      1.70053770739337
  C   -2.86591349580337     -1.34073820736127      1.45502961258946
  C   -3.16197471309398     -0.00590498967689      1.65534296141513
  C   -4.42920758468382      0.35821081887270      2.12931867141757
  F   -4.66640049337687      1.67215324662366      2.32513697210348
  C   -5.44534641810595     -0.57212475782478      2.34199492076265
  C   -6.85605927664035     -0.20554826461960      2.70426664097197
  O   -7.79125748678134     -0.88022736015698      2.30612486338660
  C   -7.11217544384301      1.06660289705262      3.53618443332842
  O   -7.90082007551383      1.91235622243109      3.14223155621907
  C   -6.29730116547585      1.15561788898150      4.79161878023526
  O   -5.57521384153544      0.26118882159608      5.20050228813927
  Cl  -6.43900967879353      2.70312711076768      5.64254939267374
  C   -5.15023445827152     -1.92321268170018      2.08749203776174
  C   -6.90902975549343     -4.43537354955667      4.07223765937419
  C   -8.09104778066140     -5.20708681138858      4.18585833694481
  C   -9.21312076389030     -4.70200340849942      4.84025274303930
  C   -9.16861829518635     -3.44399994763097      5.42860428697182
  F   -10.23817511140129     -3.00810819404230      6.13510120821955
  C   -8.02485866233013     -2.65076420552856      5.34545329377425
  C   -7.87469456914694     -1.33128967599606      6.04928138085097
  O   -8.51295371747785     -0.32876293874635      5.72411941882649
  C   -6.80501123444216     -1.32991454926768      7.10876831897168
  O   -5.98809078941447     -2.26078849593172      7.24944533666476
  C   -6.79319589967147     -0.15122395017633      8.05613973254530
  O   -7.68186383253358      0.59961057479454      8.31982595220276
  Cl  -5.17104706322600     -0.00884473842228      8.91237304672453
  C   -6.94255606719369     -3.14764464356186      4.63076264822367
  C   -3.46786649480414     -5.38470562767386      6.35630710470052
  C   -2.47092122072685     -5.40192823859245      7.36097859323618
  C   -2.80727493918580     -5.33153350591980      8.70719217505297
  C   -4.14860444349567     -5.24791080521289      9.06363611639583
  F   -4.45666585686514     -5.12534161656131     10.37353550189085
  C   -5.16902763965937     -5.27138478669017      8.10472163319446
  C   -6.60035101435173     -5.22909373954133      8.45075873532221
  O   -7.51175492964719     -5.21137197574757      7.63279097668273
  C   -7.10789876421779     -5.37401554680058      9.88956887788903
  O   -7.09936717971752     -6.43930319789662     10.45967345355180
  C   -7.78640509239777     -4.10086714246829     10.44898935387731
  O   -7.63412187772529     -3.01563092896685      9.97493105641612
  Cl  -8.73863965053055     -4.41365122238894     11.91710446419905
  C   -4.80863014743513     -5.33357873111891      6.74792254732413
  H   -1.87215320616665     -1.62907970862367      1.11241883230664
  H   -2.42577735903803      0.77588691218787      1.46570461215894
  H   -5.96169542128135     -2.64913829826907      2.13397926384117
  H   -8.14592292181029     -6.22120685837523      3.79541336139496
  H   -10.11718247920749     -5.30348387799422      4.93912096068390
  H   -6.08556055745616     -2.50051160250112      4.50360572788264
  H   -1.41884151795091     -5.43521160582967      7.07357514901839
  H   -2.04309009541829     -5.31425381788519      9.48426429054372
  H   -5.60723416887693     -5.33738652157735      6.00699512924801
  N   -3.98782663210217     -2.60660998195099      5.25288400869154
  H   -4.75314753435416     -2.70254641688844      5.95185212280383
  H   -4.10501802508713     -1.65582759187702      4.87583714780864
  H   -3.11772920054283     -2.57580347776467      5.79385335232039
  N   -1.82463344918353     -3.49146457433230      3.58392393372201
  N   -0.75463003056160     -3.14501590149647      3.57386542377085
