81
Coordinates from ORCA-job /scratch/magstr/orcajob__5661773-qDmK/orca
  N   -2.66802349311539     -3.50229156164128      2.85345932469307
  C   -1.97265412958574     -4.28727180326306      1.81726407098352
  C   -2.09063262451613     -5.76848185491310      2.11904670727470
  N   -3.47204643632940     -6.09519361901940      2.56704059564815
  C   -4.41138960453199     -6.18817170748667      1.41885944640966
  C   -5.81922633846631     -5.86217300861317      1.88404460007998
  N   -5.78067142487262     -4.69942450375764      2.77681043392199
  Mo  -4.09153271955878     -4.46038895760062      3.86580606807796
  N   -3.62394064533003     -5.80516612533947      5.34163170761589
  C   -2.94606926658896     -6.98684551834214      4.80253895823629
  C   -3.50335088820034     -7.30569774298961      3.42282091018306
  H   -3.10403586886748     -7.88412462445255      5.43223007139274
  H   -1.84594307690862     -6.85221523118348      4.74191385248455
  H   -4.55666154723521     -7.60588147087692      3.51526140226214
  H   -2.94346962696988     -8.13501917412585      2.95086817922137
  H   -6.43935317556808     -5.65690244660914      0.98793570595443
  H   -6.27838407479195     -6.74770135643585      2.37266073474231
  H   -4.08837747027803     -5.43916695630284      0.68251952295203
  H   -4.35276900811624     -7.18466207515593      0.94454895353415
  H   -0.89849421398683     -4.03196691654535      1.77668715218022
  H   -2.38551757358813     -4.06014348376649      0.81188396899018
  H   -1.41313882906217     -6.02835049904761      2.94337949233654
  H   -1.80745437877695     -6.37935006100957      1.24104959323504
  C   -5.49522538335678      0.09472922536795      1.45210276407016
  C   -4.09935681622523     -0.51223910254383      1.43165538090605
  N   -3.90406033581286     -1.42137442611224      2.56381648398318
  C   -2.57372889998398     -2.06563293612193      2.56615077390342
  C   -1.63640003996068     -1.31987393644488      3.54183045612229
  C   -0.15913811024087     -1.40705277340031      3.23307290626758
  F   0.33470753080051     -2.72873637517944      3.37667348951717
  C   -7.93504139128268     -0.70932178462879      4.29274500489344
  C   -8.24750840094981     -2.14002785094852      3.87032103169995
  N   -7.03627631997028     -2.80425386993003      3.40650162829658
  C   -7.12830231759294     -4.22672970382701      3.07246953592718
  C   -7.82082053116904     -5.09688668497336      4.16698047525486
  C   -7.07855856498362     -4.99804052107248      5.47905470171711
  F   -7.15787912103184     -6.19730349136298      6.23130470245864
  C   -0.20426954072759     -3.74781748930131      7.92322747207465
  C   -0.58754219427948     -4.43628850420734      6.61582016653497
  N   -2.00758843058599     -4.23458628115163      6.26318051266501
  C   -3.04020587386970     -5.28363778087873      6.58246002108200
  C   -2.57770544065321     -6.36225222550621      7.56923644062607
  C   -3.77024270381858     -7.15132451539308      8.07293185807520
  F   -3.33034438374830     -8.26211498412797      8.82909841722709
  H   -5.67797913340429      0.69328700559575      0.54837829056658
  H   -5.64268270123169      0.73131700256633      2.33667514891051
  H   -6.24967657787517     -0.70543831792903      1.49604061432461
  H   -3.33557233156797      0.28218352794355      1.49494062490175
  H   -3.93400476939006     -1.02502981551612      0.45866440834030
  H   -4.60984070474135     -2.16674488822797      2.50468316972679
  H   -2.12275884579365     -1.94003377479589      1.55514894407449
  H   -1.80372311946990     -1.65764281695544      4.57586970812184
  H   -1.89527948492696     -0.24684860059741      3.50957601272426
  H   0.05536322556124     -1.09985442937051      2.19611634851424
  H   0.42692867453830     -0.78227573893607      3.92458587126047
  H   -7.49005991910461     -0.13694771765600      3.46711216774766
  H   -7.21522925919527     -0.70075533294262      5.12811168441885
  H   -8.84315775245654     -0.19361266190142      4.63502687687372
  H   -8.97416088540577     -2.13851466033331      3.03939659026017
  H   -8.74596375858939     -2.66031803268815      4.71640806605342
  H   -6.29124365160734     -2.73408333313449      4.10682743418766
  H   -7.75212593040639     -4.31097988928309      2.15842430298425
  H   -8.87531289460338     -4.79768228413625      4.26951400472816
  H   -7.81358480599917     -6.14653252373014      3.83504337389759
  H   -6.00108816935187     -4.81708738809980      5.25422130938658
  H   -7.44963624059000     -4.20127833950037      6.14364528880471
  H   -0.44267434853600     -2.67526596230121      7.87225051300375
  H   0.87239397963182     -3.85637449660721      8.12467384153625
  H   -0.74931814390522     -4.17133585510556      8.77984390959403
  H   0.00066004757250     -3.99971618115074      5.79419062209829
  H   -0.30828111513730     -5.50527977349941      6.66278207279643
  H   -2.03829397802935     -4.23735633498933      5.23292848958320
  H   -3.87027429653596     -4.76075628202477      7.09876428770263
  H   -1.86063745651722     -7.05466636232038      7.10648363340000
  H   -2.07021839333193     -5.88517276033219      8.42000085882183
  H   -4.40692779105431     -6.54280473347702      8.73446741278037
  H   -4.38557883239902     -7.53398632564129      7.24485788614592
  N   -4.28377995383004     -2.73902250813163      5.41390344127211
  H   -4.52034565710573     -3.12749746881539      6.33316448698008
  H   -4.98052624788203     -2.00410458697149      5.25931884606829
  H   -3.37841309264062     -2.28262864878192      5.54131778169550
