77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670596-bCwa/orca
  N   -3.16140875182907     -3.46581994280326      3.05373437802575
  C   -2.26242159064204     -4.17691801719513      2.13695633574384
  C   -1.99839005381084     -5.58423190044995      2.63764328611822
  N   -3.19427474894691     -6.05332096705272      3.38745419720167
  C   -4.38971084026510     -6.16674440062348      2.49060372131562
  C   -5.63926029050764     -6.02840895188164      3.33203888952653
  N   -5.50419468671516     -4.87232214121604      4.22576510226612
  Mo  -3.56423552751878     -4.49030901061999      4.95708519016105
  N   -2.69944580586883     -6.21014981500495      6.03986202436912
  C   -2.08908323307155     -7.24084918611022      5.20181208404368
  C   -2.94670592453237     -7.39500565385035      3.98632728011149
  H   -2.05334486833839     -8.20270299696782      5.73621004343650
  H   -1.04795975730446     -6.97993078649785      4.93826835933469
  H   -3.91849160321161     -7.81447433089983      4.27485393170915
  H   -2.49229375359746     -8.05207020909901      3.22852688750914
  H   -6.52134137071832     -5.95270931595398      2.67964573957366
  H   -5.79531411416598     -6.93230270181524      3.94858145125396
  H   -4.34409111373680     -5.36566131166129      1.74791261982651
  H   -4.34595235596234     -7.13070031174037      1.95993355722902
  H   -1.31007834246919     -3.63460134327028      2.01158463991275
  H   -2.72225372329683     -4.23337973162509      1.13822293946968
  H   -1.14167698178611     -5.61959794644360      3.31953586374188
  H   -1.79738106310523     -6.26696862846724      1.79584613229398
  C   -3.71435868760692     -2.33356709424405      2.57289344792992
  C   -3.50888161923312     -1.88855170006758      1.23041521491566
  C   -4.21183684479106     -0.82617329757407      0.69355016310363
  Cl  -3.88162653922430     -0.42698710777925     -0.94992474668091
  C   -5.13273587653994     -0.04716042868181      1.46167081585226
  C   -6.01414906315423      1.00218906223949      0.90523772638537
  O   -6.37160566886003      1.06816611742855     -0.26384890041243
  C   -6.49851601356013      2.14870350769116      1.81643844794010
  O   -5.92262559444041      2.52585924310734      2.81454209098700
  C   -5.21197107853890     -0.36095602454925      2.80840788774514
  C   -4.53989594442620     -1.46087114504655      3.38045861798239
  C   -4.64797263111059     -1.61133204583102      4.76996952679511
  O   -4.21285903988384     -2.59087303483988      5.44541063253699
  C   -6.59399086475822     -3.99719995975687      4.28338249820885
  C   -7.07258162941668     -3.59998275426380      5.54695691144328
  C   -8.09408713103615     -2.66881493611922      5.68786884267705
  Cl  -8.54405061590251     -2.22781683194729      7.29845561582435
  C   -8.69949825183430     -2.07228928984801      4.55657418948164
  C   -9.73560804331676     -1.01953210340386      4.61602581288085
  O   -10.55826015352241     -0.86441137119945      5.50842253796827
  C   -9.72930132077801      0.07394956290158      3.52707862814078
  O   -8.72587075992832      0.44248976352909      2.95102633598899
  C   -8.25507615731744     -2.50266022813002      3.30314932305638
  C   -7.23699170516202     -3.44238758980645      3.13219049636573
  C   -6.75107072168201     -3.62383363863002      1.74899332085310
  O   -7.35419406565564     -3.25994991031903      0.75089126959664
  C   -2.22539489611066     -6.15851596395166      7.31156043844388
  C   -1.10922089941719     -6.92960625123838      7.73863634005465
  C   -0.64800143603504     -6.89447002889076      9.04452478199983
  Cl  0.78576736698043     -7.78957399780279      9.38057650238864
  C   -1.28223246923770     -6.11522127823465     10.05871828953745
  C   -0.88131429658436     -6.12453905740328     11.48172850856616
  O   -0.29467848719260     -7.04341288852280     12.04028550371179
  C   -1.15934476494907     -4.88185816972209     12.35429712538104
  O   -1.43965490679331     -3.77924393545820     11.93589588023161
  C   -2.38411619147927     -5.36815964736562      9.65511789114158
  C   -2.85227104352094     -5.35748084744427      8.33076111375603
  C   -4.05037209274919     -4.66960057282354      8.05131571225823
  O   -4.51704894914291     -4.47455017627428      6.89887078110095
  H   -2.80227554807687     -2.38743909438231      0.57462644133060
  H   -7.38199381312894      2.67180934606671      1.38264759997536
  H   -5.85212122746107      0.23313892675006      3.45929412552527
  H   -5.12808531789336     -0.80815874574314      5.35032069316053
  H   -6.61688022170443     -4.02605275597915      6.43560880348050
  H   -10.71216398933090      0.59109924559130      3.42961886612401
  H   -8.67703236752580     -2.06706639620870      2.39658307728666
  H   -5.73829780169027     -4.07041932941157      1.64715727899944
  H   -0.54743087081809     -7.53597754405660      7.03383853373543
  H   -0.98681623691925     -5.10093626516753     13.43502320794144
  H   -2.92777800079714     -4.77379024137030     10.38877809870857
  H   -4.65979751477404     -4.30213305992040      8.89459463459089
  N   -1.83561168846723     -3.89078952062142      5.39384783513680
  N   -0.81009001006707     -3.39917295118326      5.77660368961000
  H   -0.02121180203150     -3.35465596284085      5.09765288408147
