76
Coordinates from ORCA-job /scratch/magstr/orcajob__5670587-hCKp/orca
  N   -3.09942305970887     -3.41657790243482      3.03278316077776
  C   -2.22154651604533     -4.15403757939779      2.11818122156924
  C   -1.98316584171187     -5.55566443267816      2.63941911220991
  N   -3.17616022521452     -5.97753338760517      3.41134524766873
  C   -4.38544056464441     -6.07220856364912      2.53469838047686
  C   -5.62005035513675     -5.92172228816739      3.39405904534814
  N   -5.48327101465286     -4.76661934607019      4.28583560952617
  Mo  -3.50921853505913     -4.37493839002324      4.95873943958854
  N   -2.61172879347760     -6.08077309134979      6.05968184016771
  C   -2.04093979578499     -7.13311678856890      5.21781406612250
  C   -2.93965142644813     -7.30325589164808      4.03210761823649
  H   -1.99585958751276     -8.08796389738654      5.76452474672633
  H   -1.00669728363712     -6.88973441747006      4.91375634817637
  H   -3.90836870744121     -7.69864215082787      4.36300784973055
  H   -2.51789739279726     -7.99298588852092      3.28234841094391
  H   -6.51307977194024     -5.86609870808661      2.75445749267218
  H   -5.75673594451183     -6.82219212604994      4.02170762399315
  H   -4.34314714673921     -5.26253259125175      1.80036944777140
  H   -4.36856677242876     -7.03289707140241      1.99422284537969
  H   -1.25916820167216     -3.63096706528269      1.98579910805152
  H   -2.68488085535607     -4.21766646142099      1.12106863207464
  H   -1.11759225158805     -5.59439700574202      3.30932715751910
  H   -1.80693405451332     -6.25675894566911      1.80481627930818
  C   -3.64509320452637     -2.29282901123749      2.51933648186527
  C   -3.44335568120532     -1.88524538373342      1.16090469666027
  C   -4.15634068269739     -0.85214170916878      0.58761714280075
  Cl  -3.81844428650592     -0.50905540905189     -1.07700403172498
  C   -5.09665796951942     -0.06569763861222      1.32424893455954
  C   -6.00109779357947      0.93480150579645      0.74671981382147
  O   -6.23035526916319      1.10398902237528     -0.45053719773188
  C   -6.73053544768105      1.94230735285384      1.65284526976811
  O   -6.23543454724330      2.48773765077891      2.61919447040253
  C   -5.16260260441900     -0.33867921048413      2.68854661610986
  C   -4.46794983052928     -1.39392670162718      3.29889814344489
  C   -4.55521681930668     -1.50094990905198      4.70113552357881
  O   -4.09229047881107     -2.46519365007524      5.37683418801569
  C   -6.54083602532050     -3.88434552848109      4.35318929385415
  C   -6.89297962458363     -3.32897210067223      5.60867004946790
  C   -7.92702520237503     -2.42349093201118      5.75052703081436
  Cl  -8.21940693918024     -1.80937153775538      7.34929371458988
  C   -8.69169609199691     -1.98195558824949      4.63588775327188
  C   -9.77686284685086     -1.00000056311510      4.68967969077883
  O   -10.44331323458367     -0.68347381389945      5.67620430398446
  C   -10.09765065659922     -0.15658056535530      3.44396401500905
  O   -9.26278215178602      0.28268304275033      2.67689454090702
  C   -8.34622669499442     -2.53354132930417      3.39549985740422
  C   -7.30906592531065     -3.44874518816193      3.21906499367037
  C   -6.90445146831830     -3.69610899371110      1.82452119095238
  O   -7.62069888921253     -3.53795448309571      0.84364749071990
  C   -2.15511130618368     -6.08960137449173      7.33208275693542
  C   -1.04757770747358     -6.89569037238043      7.74365670084000
  C   -0.62406815413936     -6.95527834162120      9.05479151087680
  Cl  0.80346583470101     -7.88732239020965      9.36321578609409
  C   -1.27759268219181     -6.24060556258309     10.11020599742166
  C   -0.94340101419573     -6.36792585826081     11.53319846481955
  O   -0.30803093302444     -7.29396223026006     12.04183862546532
  C   -1.35265966166195     -5.26502312763103     12.52511073691129
  O   -1.62811071157874     -4.11321729915585     12.25544415341963
  C   -2.34692187922697     -5.43708808888576      9.71518256261676
  C   -2.77801062021320     -5.32773107778482      8.38598691006307
  C   -3.91333941975220     -4.53074792365236      8.12301779686243
  O   -4.33098897287864     -4.22501491369025      6.98033367344243
  H   -2.72509052570017     -2.39282129187405      0.52471550114794
  H   -7.71568333804894      2.24306333672582      1.22626632876791
  H   -5.80267952021984      0.27394234087880      3.32267402430644
  H   -5.03803740257995     -0.69098573443553      5.26896244807531
  H   -6.32725903847086     -3.63289222589300      6.48506571701400
  H   -11.16653486524355      0.16556647671288      3.41641958855094
  H   -8.86730098336816     -2.20448271177588      2.49584899170998
  H   -5.83378008843962     -3.97185797457231      1.68732693832514
  H   -0.46322405584604     -7.44645324953744      7.01192932764417
  H   -1.26289956442031     -5.63307571464506     13.57668757050955
  H   -2.89226178681650     -4.86948650800374     10.46843178939681
  H   -4.49004999571447     -4.14375873112527      8.98232745035941
  N   -1.60222732092796     -3.74144378986244      5.33049683535849
  N   -0.55787382206127     -3.35715799898164      5.50548615203048
