74
Coordinates from ORCA-job orca
  N   -2.13239874411357      1.11613065262423      6.01061088413332
  Mo  -3.04379423070295      2.54725156611245      4.74257352654650
  N   -4.80025335368996      2.58989913483764      6.01028835580810
  C   -4.63468632396906      3.43340395673587      7.19582734418931
  C   -3.20038122635374      3.32367975907514      7.66835839186515
  N   -2.22303849149410      3.56943316579138      6.54514259750771
  C   -0.90551377783005      2.94123530923756      6.87452570085228
  C   -1.06410882761885      1.40940576965062      6.92873079483629
  C   -2.08353313284213      5.05732623144567      6.28585182501289
  C   -2.35254252274714      5.37160502098354      4.81731649073775
  N   -3.48437262354485      4.53713395402875      4.40330642069502
  H   -0.11850356230297      0.92630610778415      6.63646400098286
  H   -1.31477816970832      1.06270693440579      7.94405239697611
  H   -0.20836741249900      3.22501226440755      6.07645132279034
  H   -0.53128749665144      3.34037584909466      7.83095578502694
  H   -2.59162877890257      6.43871350668313      4.70094954425828
  H   -1.48429439003038      5.12654553668347      4.19163583666889
  H   -2.83457818356761      5.56324070345643      6.90536118173401
  H   -1.08756428583027      5.39105674520807      6.60950541346704
  H   -5.30851262515760      3.11210370815237      8.00477825641858
  H   -4.90831122529030      4.48094911087441      6.97230631446787
  H   -3.02885366549898      2.30785349070181      8.04027484451969
  H   -2.98044318929050      4.03202616238660      8.48262288944011
  C   -2.56593694436378      0.03875979014006      5.41511854878757
  N   -3.43210128992401      0.42288204838620      4.44790708429660
  C   -4.10887574515407     -0.32845508815027      3.51628541827173
  O   -4.55577091777690      0.21150078971637      2.50199047353922
  C   -4.29405621661923     -1.78970277402679      3.78340165133090
  C   -4.21515225932870     -2.68476199831403      2.70757540081953
  C   -4.41525812553771     -4.04644963027356      2.92069087913892
  C   -4.71679268869920     -4.53042008400319      4.19732115935818
  C   -4.81518427894425     -3.62562567404919      5.25338647152299
  Br  -5.25697496463879     -4.26478060239715      6.99659073417543
  C   -4.60427133484258     -2.26105408244985      5.06773466682171
  C   -4.72845128832590      5.06193844340370      4.45266490855929
  N   -5.00079917051643      6.26758922757294      4.86877070745122
  C   -6.31697649592910      6.69424432739070      4.70051597050855
  O   -6.99119600756910      6.47833784374799      3.69245827588795
  C   -6.87359035123727      7.46450478548200      5.86147619576099
  C   -8.19614526398109      7.92415091284655      5.80043399622894
  C   -8.75504663333395      8.59062168148053      6.88840213775856
  C   -8.00991901332540      8.80296069475182      8.05270125250790
  C   -6.69539431191481      8.33926928219629      8.09819552525656
  Br  -5.66149529049418      8.61416745386999      9.68567668175783
  C   -6.11432087287162      7.67877486000743      7.02112599915598
  C   -6.04795867695529      2.24543240786161      5.69238466439842
  N   -7.11207874768889      2.69038089430842      6.32967237144642
  C   -8.31834191530492      2.09294183697399      6.01690053402476
  O   -8.45609397483162      0.94049339101980      5.58211932698341
  C   -9.51852059708628      2.95970856420646      6.28803519127916
  C   -9.39481739701749      4.30722592631653      6.65508418903555
  C   -10.53391458966163      5.08239237364917      6.86914852501810
  C   -11.80821723699376      4.52698684118982      6.72904895060186
  C   -11.91455458571896      3.18388745103508      6.36426965266500
  Br  -13.65705911461889      2.41236255242328      6.17011953843592
  C   -10.79354999748699      2.39499911424154      6.13812898649412
  H   -2.23625068058888     -0.99183206073610      5.60454768029570
  H   -4.00152044510424     -2.29690221632091      1.71134111118179
  H   -4.34456420414796     -4.74656304165195      2.08695748500048
  H   -4.88351548463999     -5.59396919633071      4.36603944385785
  H   -4.72733318595601     -1.56928318449623      5.90091114802493
  H   -5.53256979305018      4.38939888755148      4.12187708823752
  H   -8.77096917530293      7.73705559070365      4.89322291481646
  H   -9.78443783546665      8.94998573647566      6.84137654592734
  H   -8.44415725265798      9.31890959314756      8.90877029907791
  H   -5.08485820161818      7.32753482489354      7.06268863795977
  H   -6.15276619713977      1.58172217243953      4.81810449203464
  H   -8.39954778330889      4.73632417612493      6.76460922013875
  H   -10.43347022300643      6.13258976222857      7.14812093547922
  H   -12.70290622329262      5.12586434162616      6.89860698541834
  H   -10.87569244712925      1.34853825599207      5.84530861117050
  N   -1.53947088033340      2.64070786751834      3.73784659898429
  N   -0.52620703027863      2.86457109099207      3.07749832790944
  H   -0.07816341864751      2.01297919892595      2.69368528626927
