80
Coordinates from ORCA-job /scratch/magstr/orcajob__5661772-aTCy/orca
  N   -2.71221713806730     -3.57282137781553      2.79028219601922
  C   -2.02668289283838     -4.33115317088954      1.73645167959734
  C   -2.10740228037599     -5.81136889329828      2.04906045491451
  N   -3.46943242095529     -6.14007723127361      2.54015855790858
  C   -4.44976326485214     -6.22016232256095      1.42453488187125
  C   -5.84307379267069     -5.89396874309767      1.93110062754791
  N   -5.79759650844464     -4.72415215391246      2.81871252845517
  Mo  -4.13532953584132     -4.42197463864980      3.85121173857319
  N   -3.54990555378930     -5.74428248124302      5.22847775738864
  C   -2.90382065520455     -6.97868744362602      4.75648064154172
  C   -3.48287279439143     -7.34377892463219      3.40574410149845
  H   -3.08204463365334     -7.81762190086679      5.44784711604743
  H   -1.80787511798848     -6.84569699635435      4.70005862850355
  H   -4.53363872172937     -7.64202731469545      3.52848518253065
  H   -2.93855663278552     -8.17907516073790      2.93488140797803
  H   -6.48888922937330     -5.67552793132958      1.06274282152542
  H   -6.29072959608518     -6.76457323893248      2.44539782975688
  H   -4.14940002389319     -5.47707988307333      0.67429450345429
  H   -4.41494214308752     -7.21702224183574      0.95497681221117
  H   -0.96534337405767     -4.03803172119613      1.70186886439555
  H   -2.46337548130799     -4.08965282097007      0.74960823621355
  H   -1.39702918359481     -6.04944824356716      2.85210582267140
  H   -1.84979803306820     -6.42971723017830      1.17357100496774
  C   -5.40737219795861      0.19039328595322      1.55359044365717
  C   -4.01815880972923     -0.42760270213884      1.54993420018098
  N   -3.90129923412046     -1.45663426238453      2.59334478035088
  C   -2.57859769024589     -2.10922685644729      2.61430066420495
  C   -1.68260076008348     -1.46793991013284      3.68992496953116
  C   -0.19761286512351     -1.60068892467679      3.44432166334273
  F   0.20382603842904     -2.96370423963866      3.48908873909027
  C   -8.07518842085862     -0.70036566740590      4.19624951740968
  C   -8.33357297482357     -2.14966022436562      3.80804604392840
  N   -7.07090036505413     -2.81029637993154      3.47150930937256
  C   -7.14688494652528     -4.23379942282353      3.16667990766937
  C   -7.79973331534339     -5.11493270164465      4.26791365678041
  C   -7.02688490669331     -5.00390089120037      5.56264674280955
  F   -7.05745083460277     -6.19046659768709      6.31323277176127
  C   -0.27399923753099     -3.56161938488679      7.88081882620406
  C   -0.56839544490599     -4.32805670255074      6.59456909390265
  N   -1.97001293644428     -4.16991014522501      6.15732524598276
  C   -2.99285425039335     -5.19383930299798      6.50063583549017
  C   -2.55490763052753     -6.26479074069848      7.50029317787339
  C   -3.75483883887330     -7.04010715316993      8.01870253399169
  F   -3.31171756645187     -8.13103756370479      8.78587522157887
  H   -5.52304258830046      0.88453447082052      0.71037449612465
  H   -5.60590160765476      0.73256661364025      2.48884406928431
  H   -6.17419458088464     -0.59294570023822      1.45716565618002
  H   -3.25336566492237      0.34123940751965      1.74787235765115
  H   -3.79562588529668     -0.84506674912855      0.54619917114461
  H   -4.62347253695750     -2.16713320507036      2.41915264187635
  H   -2.08017866465623     -1.95568237560730      1.63405552154929
  H   -1.93919318647601     -1.87821826108690      4.67801821250229
  H   -1.91149681441090     -0.38971902323543      3.71904810767120
  H   0.09134103649668     -1.22235083303654      2.45097113312014
  H   0.38251522341216     -1.07583724910673      4.21687071037982
  H   -7.58037339980841     -0.15038062108538      3.38400890747286
  H   -7.42593400713616     -0.64516625653118      5.08451301141169
  H   -9.01743730400113     -0.19326055468707      4.44342488036322
  H   -8.98976808161679     -2.19631879048569      2.92285437443972
  H   -8.87947562600676     -2.65184679445106      4.63256360172093
  H   -6.39577863215769     -2.65958721838335      4.22761938589542
  H   -7.75742220589899     -4.33528283855098      2.25112363526680
  H   -8.84876059148246     -4.81261545230587      4.39360140697635
  H   -7.80071355481634     -6.16567264640015      3.94194243893455
  H   -5.96381745462004     -4.81926336602978      5.30826052958690
  H   -7.36586885980028     -4.19525966973216      6.22769015805546
  H   -0.52195071033163     -2.49769823695711      7.75800394781463
  H   0.79035961745583     -3.64213766607724      8.14508259191447
  H   -0.85915823322781     -3.94706160383706      8.72846795011477
  H   0.05431391455402     -3.93176879833268      5.78018290093057
  H   -0.28065939487816     -5.38757097483145      6.71811491205749
  H   -1.98196265835969     -4.17639302806401      5.13200819867860
  H   -3.84657607232243     -4.67985678483424      6.98404683001018
  H   -1.82921882120096     -6.96489116132541      7.06434929923511
  H   -2.05681867636499     -5.76900476686850      8.34506948859305
  H   -4.38749587027793     -6.41394784632213      8.66722946701482
  H   -4.37798251540328     -7.43905020910723      7.20277792884552
  N   -4.28074261036373     -2.96282479383739      5.09964427653996
  H   -4.32457211886253     -3.05707672099303      6.11843578942503
  H   -4.26303166750459     -1.96716974294554      4.83356127053327
