78
Coordinates from ORCA-job /scratch/magstr/orcajob__5668067-XTKy/orca
  N   -2.73376804360973     -3.80770238177289      2.57975726120232
  C   -2.20781288892987     -4.69276788721488      1.53313703186828
  C   -2.22273365493083     -6.12422479105349      2.03939954179296
  N   -3.48622310383764     -6.38245556055021      2.78677233229012
  C   -4.63400674637911     -6.66074142561658      1.87735935119523
  C   -5.92714496139351     -6.45559031414130      2.64407865303264
  N   -5.78096671953054     -5.23552899754604      3.43591529320184
  Mo  -3.98537327063683     -4.55260380110810      3.93353172363981
  N   -3.04332795353376     -5.60803945521703      5.30756963323997
  C   -2.53536170240880     -6.94497675484511      4.97852400965310
  C   -3.31225394607241     -7.47236050725896      3.79105079058089
  H   -2.65762007199136     -7.64019384105560      5.82156553290575
  H   -1.45201490616592     -6.88129800334817      4.76545889886636
  H   -4.31167944028259     -7.77315614414100      4.12818239534764
  H   -2.81844620625150     -8.34199033647911      3.32699755606198
  H   -6.76331629939871     -6.38253245538847      1.93443035330847
  H   -6.14440947694322     -7.31150403678533      3.30988681705820
  H   -4.57858188393251     -5.93678447667650      1.05306113548146
  H   -4.55373841579927     -7.67924794586544      1.46231521459253
  H   -1.17757019784596     -4.41438859736191      1.26031643263821
  H   -2.81853125631853     -4.58382154408773      0.61799756052206
  H   -1.39422544327613     -6.26466343889829      2.74587110266937
  H   -2.10923521296525     -6.85354710015848      1.22029466870568
  C   -2.19121829082434     -2.51464478031404      2.65832846471602
  C   -0.82314144377752     -2.37150897364492      2.93321505734702
  C   -0.22505903030186     -1.11505909829015      3.04849326625865
  C   1.20234481568047     -0.94765242104823      3.43845049701643
  O   1.89416437741829     -0.02435447434979      3.02612368036100
  C   1.74197738759964     -1.96080326296631      4.45027173873333
  O   1.08889480288294     -2.77694477162514      5.05501597225793
  Cl  3.49857223560470     -1.78660339748452      4.72399935938930
  C   -0.98425518563761      0.04417575823117      2.79677546197777
  C   -2.33373012965507     -0.06954497112511      2.52183727853092
  C   -2.96588535229988     -1.33130223082157      2.47909364020286
  C   -4.40598012926704     -1.41200681232243      2.27068634365320
  O   -5.16895511851074     -2.30408621954468      2.56344859418379
  F   -4.92585717023169     -0.28624635260790      1.68488635698497
  C   -6.92138995465747     -4.62889389081637      3.98926309583629
  C   -7.02811343292041     -4.66049436997059      5.38944678291488
  C   -8.05804715802047     -4.00853024110798      6.07607205317792
  C   -8.16021448039635     -4.02260408178491      7.55527513612026
  O   -9.21595133547131     -3.84364692052831      8.15683457119631
  C   -6.85264485725687     -4.18200861390629      8.33058293564034
  O   -5.74534655358605     -3.91058932452297      7.92421057120514
  Cl  -7.09855325449211     -4.72923893220815     10.00554656965551
  C   -9.06572060292078     -3.35934340876989      5.33631745865799
  C   -8.98619127780070     -3.32529013838700      3.95580875950862
  C   -7.92182405055490     -3.92994246801502      3.25133712861446
  C   -7.93620489492002     -3.69288491614646      1.79706434740827
  O   -8.75074969403967     -3.07519821985746      1.16933709089805
  F   -6.87631050725288     -4.25588361606312      1.11700735015927
  C   -2.64800105998600     -5.08352704140069      6.55687747189728
  C   -1.82101433172659     -3.95789058287892      6.56219213037531
  C   -1.40820370398445     -3.34938301634246      7.75496959410540
  C   -0.60587168691305     -2.10136713972395      7.76878346716393
  O   0.18330306659406     -1.81692431503220      8.66656760860106
  C   -0.92581710191428     -1.10980283607209      6.65729615151949
  O   -1.90241585146822     -1.12243052437651      5.94228581553527
  Cl  0.25668178865012      0.22509682117939      6.55053737257258
  C   -1.75534725367456     -3.94345280920543      8.98132234229477
  C   -2.57906980795656     -5.05668482841815      8.99925029823902
  C   -3.07172625685663     -5.62613214040676      7.80614378933031
  C   -4.09252801402419     -6.67654176994283      7.87231154245336
  O   -4.76128974385854     -7.16485290640059      6.99483902506907
  F   -4.29927119299517     -7.11618524123360      9.16518190536889
  H   -0.23702837742273     -3.27418609701363      3.09955860956265
  H   -0.50481105458473      1.01978752733258      2.86990780705580
  H   -2.93614204739278      0.82494317933535      2.36926256017097
  H   -6.28003201207975     -5.24149194954747      5.93001440770108
  H   -9.88641031571949     -2.87505845726645      5.86517754823827
  H   -9.74045284207120     -2.79518303611275      3.37393877337529
  H   -1.47240265659090     -3.57089198305625      5.60472411885529
  H   -1.40244944444931     -3.49264507246976      9.90887442846240
  H   -2.89822947108583     -5.47752160555722      9.95100040069584
  N   -4.42755860661120     -2.83335434672528      5.32418121331170
  H   -4.82867154104844     -3.14767980137680      6.21948684662228
  H   -5.11611233888389     -2.20276876105543      4.90182149024485
  H   -3.59806505390083     -2.26494631966215      5.55280442871501
