79
Coordinates from ORCA-job /scratch/magstr/orcajob__5668073-HjZ7/orca
  N   -2.61732756642133     -3.86884353184872      2.51950190460896
  C   -2.22233669131094     -4.73035698298354      1.38887489387812
  C   -2.28540399365743     -6.17672942059726      1.85400207843418
  N   -3.50098564064236     -6.38806351533824      2.70786496156489
  C   -4.71641895409613     -6.69043543668796      1.89782151598530
  C   -5.93645943264480     -6.48075441134219      2.77635367768072
  N   -5.73530473656509     -5.23053474601190      3.52914183885176
  Mo  -3.93444337274199     -4.45079054890271      3.87028050801327
  N   -2.98874077825257     -5.55432298276340      5.22410579725220
  C   -2.41945496815996     -6.86729394997882      4.85150085776445
  C   -3.24985862691521     -7.45415220251483      3.72951726519760
  H   -2.43186907583324     -7.55163518034849      5.70932962418150
  H   -1.36396465024505     -6.72371390043367      4.56088751005542
  H   -4.21490039822615     -7.76938878935908      4.14121600468184
  H   -2.76063367772626     -8.32141413167552      3.25929035783895
  H   -6.84001445997104     -6.42407611733964      2.15672669580161
  H   -6.08478409920991     -7.30874860429060      3.49119950377368
  H   -4.74672079238542     -5.98046296156080      1.05963868875643
  H   -4.66195392022320     -7.71444115932838      1.49541902327263
  H   -1.19898491742145     -4.48488510282760      1.06552806859672
  H   -2.89191395891746     -4.53901319164203      0.53275717838203
  H   -1.40837757806697     -6.38782391551637      2.47777390063148
  H   -2.29067152733962     -6.88507412166242      1.01148479630322
  C   -2.09681819014991     -2.54285972713817      2.57271570676866
  C   -0.76813316914012     -2.37860154382180      2.96366384757420
  C   -0.22228459310589     -1.10048983809265      3.13395332093875
  C   1.16008768515203     -0.89339700277074      3.65279722451879
  O   1.84824365702239      0.06166873708952      3.33823014643933
  C   1.64395646119758     -1.91583714256627      4.70247880606226
  O   0.91995775792039     -2.66654615635566      5.30770485540584
  Cl  3.37346726609902     -1.79908301267550      5.03175265669344
  C   -0.99254059733022      0.03136309988709      2.82068741130721
  C   -2.31086787971426     -0.11955156801155      2.41925685519125
  C   -2.89590706958909     -1.39666901379124      2.31797765029376
  C   -4.32948778293127     -1.52450534589751      2.02609722484758
  O   -5.06851936737026     -2.46083551316980      2.22813784214114
  F   -4.85886476859931     -0.38700569115382      1.49446500653683
  C   -6.88496167063296     -4.63025202079872      4.13222302786655
  C   -6.95219121002733     -4.65761180129101      5.53396109860505
  C   -7.95319390839034     -3.96929178363283      6.24383469467859
  C   -8.01598665821874     -3.85580459474770      7.73260837364829
  O   -9.07533998538026     -3.62876070191267      8.32243604176021
  C   -6.71238446462605     -3.93990354308907      8.48304460932928
  O   -5.60078951700146     -3.89116334553510      7.95308489641091
  Cl  -6.86387208223602     -4.03854287648200     10.22367417459992
  C   -8.97909238666663     -3.34428083600711      5.50851859679332
  C   -8.95322605348777     -3.35695098785419      4.12526889716320
  C   -7.90752089143808     -3.96906479497220      3.40127854626080
  C   -7.98646068171993     -3.78132241133409      1.93582918637566
  O   -8.84064468520352     -3.19832375163240      1.33367091854252
  F   -6.92670638173584     -4.31110359591410      1.23478469323807
  C   -2.66670772406744     -5.08744307367594      6.52833011249180
  C   -1.92573115809181     -3.90935670042689      6.62923844187064
  C   -1.57320100435181     -3.36855561739147      7.87014572389834
  C   -0.86080642569688     -2.06542514275032      7.94837262413709
  O   -0.06928099872356     -1.76714176880301      8.82728012720582
  C   -1.32004175592424     -1.02491351881346      6.91012159352464
  O   -2.38457092220581     -1.04375778744703      6.33183509066183
  Cl  -0.16425160186093      0.29293341293674      6.67896409342863
  C   -1.89345240782371     -4.06767119808341      9.04440731994696
  C   -2.64880917449303     -5.22855349172283      8.96219750239841
  C   -3.08115129513984     -5.73876700294557      7.72192563643110
  C   -4.07604321225916     -6.82161024877478      7.68330759816900
  O   -4.69026281234370     -7.24802249285200      6.74076100256494
  F   -4.30318814419144     -7.36275920217319      8.92076366112169
  H   -0.17612697022826     -3.26691206717761      3.17877540872118
  H   -0.55314777397114      1.02188534056373      2.93661969929835
  H   -2.91982758778409      0.75938840200416      2.21288840450046
  H   -6.19255009521366     -5.23936927862100      6.05451891940303
  H   -9.77812343504895     -2.83840450600712      6.05055703271876
  H   -9.73405045542609     -2.85354719590468      3.55499429317175
  H   -1.59241586230966     -3.42543932045611      5.71327987703732
  H   -1.58842223893406     -3.66721289808117     10.01120308018118
  H   -2.96703153801861     -5.73078298956652      9.87403050042315
  N   -4.32307850252463     -3.08293210070505      4.92329447531354
  N   -4.93537216409664     -2.32775203046383      5.91235040368516
  H   -5.64756691110851     -2.96949367490143      6.37381543471349
  H   -4.25494826845654     -2.10582276761602      6.66680167888212
  H   -5.35898557542794     -1.45243441151829      5.56424130260070
