82
Coordinates from ORCA-job /scratch/magstr/orcajob__5661779-mJwS/orca
  N   -2.90577803042297     -3.52735191221621      2.62220836357930
  C   -2.36743210365756     -4.29568615069689      1.47288232169861
  C   -2.24817332170304     -5.76546661569475      1.82770708801276
  N   -3.49842412244874     -6.21112037891058      2.47937237365670
  C   -4.58789435087435     -6.49732094826835      1.50995579388065
  C   -5.93368855334074     -6.31072369899245      2.19695941231361
  N   -5.92679013305500     -5.05374738293872      2.96845062882796
  Mo  -4.23950681631985     -4.48006703557168      3.81045097390644
  N   -3.38561033908145     -5.65892059072726      5.18828381549199
  C   -2.62408034854910     -6.81997495486271      4.70463378375861
  C   -3.27205691937871     -7.33501243028612      3.42937592757642
  H   -2.62813567527459     -7.64614070782241      5.43625322409653
  H   -1.56063536824586     -6.56126971113755      4.53288011565364
  H   -4.25373537079922     -7.76412273299138      3.67782686655044
  H   -2.65763541560687     -8.12705860544437      2.96804051569103
  H   -6.72466385905541     -6.27692113493116      1.42823126625234
  H   -6.16558130838161     -7.18055068969114      2.84006693325080
  H   -4.49743764008192     -5.76828520469581      0.69273120177647
  H   -4.48680521464407     -7.50969606637624      1.08060637908340
  H   -1.37632925828674     -3.93415689787280      1.17199687499217
  H   -3.02327211157929     -4.16105527799730      0.59090138304037
  H   -1.42763604141743     -5.89041691742521      2.54742999158476
  H   -2.02366629855626     -6.38035708202236      0.93871516837718
  C   -4.86579082654478      0.88411254508141      2.78656399526186
  C   -3.52531765714364      0.19466472279258      2.61631110441196
  N   -3.63928533630657     -1.22662602688296      3.01012819192601
  C   -2.54508902611112     -2.10145570862584      2.51232358073037
  C   -1.26500917622755     -1.70628402515349      3.27739906479049
  C   0.02746027887425     -2.41969376064321      2.91998624248765
  F   0.02669004279798     -3.75715964217005      3.40019387254076
  C   -8.35986471266487     -0.95041033225907      3.78694606902541
  C   -8.55239761540524     -2.43771789529825      3.51483030375309
  N   -7.24820559906881     -3.09043212541300      3.42605733556381
  C   -7.28846774946165     -4.52445076911040      3.19316718825064
  C   -8.00785279435438     -5.36989875103301      4.28347558131587
  C   -7.46152459925066     -5.18793900672392      5.69205423162266
  F   -7.74664501581026     -6.33442426429480      6.47273982825053
  C   -0.47735488115518     -3.17221340264689      8.06407111509785
  C   -0.55464042060329     -3.97618707532293      6.76886257639402
  N   -1.87120056774124     -4.02689893367451      6.09611086272104
  C   -2.92068542953980     -5.05780650801014      6.44351045417539
  C   -2.50409923314600     -6.06082548645537      7.51545202724533
  C   -3.69646980205364     -6.89950870335163      7.93768139493189
  F   -3.30529807433448     -7.79045702622007      8.95691257285349
  H   -4.76141945394193      1.95517031323581      2.55367974934095
  H   -5.22904112111351      0.79679998900920      3.82292195141486
  H   -5.62486642680044      0.45848099486945      2.11823695715327
  H   -2.77209716587583      0.68444187963265      3.25387284224792
  H   -3.17094909414987      0.27485989334324      1.56972381662958
  H   -4.51953726119876     -1.60556764341068      2.64933227133054
  H   -2.38839840859777     -1.85750208850991      1.43697017746382
  H   -1.42537011942096     -1.82813688126607      4.36000654940240
  H   -1.08185905294886     -0.63173932705975      3.10514002338699
  H   0.20110344284748     -2.46248181066473      1.83374797539209
  H   0.88618052619207     -1.91841876201420      3.39136354311267
  H   -7.74534220444555     -0.48550777674000      3.00294648223802
  H   -7.86060433226496     -0.78865498419237      4.75594200906300
  H   -9.33156617631092     -0.43316597347787      3.81697850721790
  H   -9.07921550952350     -2.57977970444101      2.55549471223454
  H   -9.21025037121725     -2.87424859239042      4.29803063380460
  H   -6.68715208771007     -2.89221182871791      4.26724059273227
  H   -7.86145096342362     -4.66169464283078      2.25727514040848
  H   -9.08499941047264     -5.14068083665766      4.25807270785985
  H   -7.90661908518361     -6.43445568803441      4.01731431217380
  H   -6.35858330932014     -5.05840992861467      5.68288207053413
  H   -7.92064641259962     -4.33275345443719      6.21001080069554
  H   -0.81425422062655     -2.13319303779648      7.91196524527203
  H   0.56542700268051     -3.14554705301815      8.41208303459231
  H   -1.09090180093758     -3.63143249380206      8.96809252611300
  H   0.09858293173297     -3.50095987734934      6.02254165353259
  H   -0.15582066503020     -4.99138272050357      6.94764714735538
  H   -1.72552966745997     -4.11965983113353      5.09531028311545
  H   -3.79030793598822     -4.51626685593483      6.84902892042813
  H   -1.68733008496131     -6.72057389607760      7.18178650160167
  H   -2.13461748331013     -5.50682100963420      8.39264330953412
  H   -4.50609271253054     -6.26546319690477      8.33694433939946
  H   -4.09544889319315     -7.49914299944721      7.10431483679518
  N   -4.65149925300007     -3.12147371410263      4.97587855067050
  N   -3.76464013593414     -2.10874685695860      5.48350500186237
  H   -2.87066596155820     -2.59324392837589      5.85154005257783
  H   -4.21786345692467     -1.54629619617680      6.20388234552975
  H   -3.57331086946631     -1.54573117642557      4.49125042938018
