95
Coordinates from ORCA-job orca
  N   -1.01680298174352      0.97899333925701      5.32961015714536
  Mo  -2.57932757386194      2.24764428407509      5.76400138682801
  N   -4.15374206016715      1.06620227220693      5.88760880247673
  C   -4.24619583153828      0.00171831836696      6.89257933860707
  C   -2.87317194789000     -0.27212161577660      7.46490279474952
  N   -2.15678255602451      1.02311371019937      7.63711845833601
  C   -0.68911854715728      0.82372150953763      7.71075975141152
  C   -0.21633239530022      0.33391662750031      6.36248943421688
  C   -2.64340190333957      1.77874207854472      8.82407123738804
  C   -2.28314464102905      3.23431902807118      8.60537928957353
  N   -2.68115429065204      3.56363427047261      7.23404866448847
  H   0.85607037257379      0.56538568265711      6.22397703205600
  H   -0.30608819267480     -0.76456971171397      6.27859268842687
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  H   -3.73602870886947      1.68040445549524      8.85872517173070
  H   -2.21314915945073      1.35515007793459      9.74693898095219
  H   -4.64446467189553     -0.92008516035062      6.43314318363242
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  C   -0.76806988839100      0.36052006461117      4.02204432728695
  C   -3.37324715299702      0.43422035998141      2.47573045145683
  C   -4.63964000996900      0.58384603520374      1.92498890141937
  O   -4.96800851409172      1.68034944986874      1.17028141141808
  C   -8.71416678941214      9.52340759139038      4.60588120930030
  C   -8.09840898731108      8.45843673016160      3.74969363926538
  O   -8.45367048108382      8.33041148798524      2.56060293848746
  C   -7.08116810615184      7.54415731744317      4.30810067171830
  C   -6.60587473603775      7.67826083195880      5.62191964317786
  C   -5.65991396462781      6.80586601198259      6.15038536226956
  O   -5.19098521258051      6.93047996748434      7.42326514394550
  C   -5.17551909614634      5.73268033757156      5.35055061012871
  C   -4.25570139367217      4.72173494258232      5.84054335508685
  O   -4.00931650309594      3.71496387421747      5.10756834548330
  C   -3.56227262827660      4.71961648789330      7.15267638463322
  C   -5.65051022249298      5.59767702940791      4.03222936766479
  C   -6.57678787366219      6.48476393805601      3.49271232606895
  O   -6.98813147588976      6.30787368146041      2.22709953961569
  C   -11.02982497651872      5.43461756433600      2.43002094238003
  C   -10.36758316215010      5.64166897892612      3.77187543286290
  O   -10.63321088876828      6.64327630191549      4.43013950621997
  C   -9.38029169885040      4.64202619652947      4.31142044020800
  C   -9.02089547299883      4.83010535902427      5.65169230653065
  C   -8.07313807774045      4.03534355015553      6.28919332298660
  O   -7.77038733074756      4.28898082137019      7.57851491008806
  C   -7.41826852858309      3.01117230931949      5.54172790608600
  C   -6.30252441865971      2.28960991632231      6.15260122717402
  O   -6.00160992655884      2.47144789521188      7.35208738841568
  C   -5.44241032676380      1.36350362299420      5.29301781482807
  C   -7.79563445410125      2.80405084848421      4.20508835938187
  C   -8.76523462888773      3.58498134721966      3.58169407699620
  O   -9.00737389184590      3.27092219284580      2.27713099027830
  H   -7.48405183832558      1.50392086410005      0.64014371697435
  H   -8.38486295900831      0.05998980314776      0.10228987347089
  H   -6.63463496012152      0.27510467028122     -0.30614552250984
  H   -6.10172323832845     -2.20432600956924      3.23040990544985
  H   -2.81377570960393     -2.69754523274243      4.50323412333709
  H   0.26283854266150     -0.02376727091971      3.97086072466814
  H   -0.91327168161245      1.07393407781326      3.20569914222710
  H   -2.63708853025015      1.21901924952894      2.29832436195961
  H   -4.17129305540269      2.22826523647085      1.04985475244125
  H   -9.25545644309762      9.06105876126782      5.44542564975943
  H   -7.94664206512605     10.18872780883087      5.02825816812784
  H   -9.41643141578693     10.10781071769053      4.00301950420685
  H   -6.99086173462846      8.48072287588024      6.25395135503710
  H   -5.65641232613474      7.66374079503386      7.86732593886078
  H   -3.02549251483224      5.67598918051725      7.30718513588344
  H   -4.32921728671737      4.69130268582429      7.95059211591165
  H   -5.29489798815205      4.77147799161158      3.41858314857887
  H   -7.63730970721416      7.07490409947276      2.06300821453671
  H   -10.30190136531261      5.61478016292811      1.61815213764172
  H   -11.45291273845606      4.42234648873918      2.32659492051934
  H   -11.83351407459041      6.16992524246281      2.31302088757499
  H   -9.49664250471234      5.64086562678245      6.20333703300966
  H   -7.06041499459600      3.61348897405897      7.81309156801367
  H   -5.30810436844055      1.81880470594929      4.30561177116753
  H   -6.00970061275868      0.42799589172560      5.12451838526828
  H   -7.32809470961434      2.02099727509744      3.61015268867217
  H   -9.67165434232508      3.87233584974271      1.89613527838411
  N   -1.85517372367767      3.09370257020860      4.10637798713689
  H   -0.93193596360250      2.91564950062927      3.71964612641401
  H   -2.30974539926734      3.88480380340542      3.65425583647377
