98
Coordinates from ORCA-job orca
  N   -3.01656041992366      3.54280827178783      5.77589604870525
  Mo  -2.81751136054065      1.81012465310638      4.72916681937817
  N   -2.97957852165883      0.75133076859553      6.53862414539654
  C   -1.74934255501003      0.69153550487836      7.30433022103282
  C   -0.90832919463116      1.93489174583073      7.07284822641955
  N   -0.79123773384797      2.22537188541554      5.61416365991038
  C   -0.57707984534351      3.67715691448561      5.37037053448174
  C   -1.86784056821886      4.45132886920822      5.72845184226760
  C   0.25916197401108      1.36764798930242      4.98467005805477
  C   -0.31866999169706      0.72076833274538      3.71945196162720
  N   -1.65156446833459      0.26185169327865      4.03069480169943
  H   -2.01888375797957      5.25891493837126      4.99434902165371
  H   -1.74640452549013      4.94559940349133      6.70818575386029
  H   -0.33788709489599      3.79236470098021      4.30636617906310
  H   0.28649477584925      4.03737801374110      5.95670396130669
  H   0.34147874469427     -0.09809148451988      3.38117400188801
  H   -0.35322195368938      1.47757697469414      2.91693954582209
  H   0.52347418817238      0.58110906666781      5.70474313068662
  H   1.16137295238352      1.96600855189932      4.78262115657114
  H   -1.92740884663223      0.61723224080218      8.39573599592753
  H   -1.16004194308107     -0.22178984359171      7.04465376923996
  H   -1.39331145574949      2.79594562973076      7.54438203432690
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  C   -4.55195843260831      5.00612138188981      7.10104545098842
  O   -5.50482111485993      5.19625278552217      6.02142401420898
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  C   -6.23604372504021      6.21973499711154      4.02139147284524
  N   -7.42627342561874      6.56858996734204      4.48433312885397
  C   -8.37875340151951      6.84218366544794      3.55227261828407
  N   -8.25780433472364      6.79470119077900      2.24053256836841
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  C   -6.83292255783378      6.35900140150353      0.35413801285355
  C   -5.60023290063574      5.99530620270668     -0.14626301020045
  C   -4.53267446335771      5.66835683408388      0.72373407175447
  C   -4.69684870517609      5.72008879008363      2.09078604993557
  C   -5.94642211771345      6.11217941053680      2.63219129972056
  C   -1.83298933160458     -1.14814172374343      4.24961147286927
  C   -3.26625308792200     -1.59366365655451      3.88271234729572
  O   -3.76379988004654     -0.83646047239617      2.74842939405020
  C   -4.19425458042586      0.40733874835290      3.02268803089444
  O   -4.57448704812305      0.72617282415366      4.19916863779806
  C   -4.46533263798960      1.22902535985365      1.82163734084590
  N   -5.57109680204258      1.97097554335006      1.88340168467702
  C   -5.92240075641817      2.64001573803606      0.76331199299578
  N   -5.31288667965447      2.62710230888581     -0.41088829618134
  C   -4.14305218671992      1.92823456004991     -0.47189241063140
  C   -3.39834791087664      1.93852881779429     -1.67854522078172
  C   -2.18680267567209      1.28413072665593     -1.75215631768382
  C   -1.66756439616287      0.60395594646065     -0.62506007668094
  C   -2.37618033146715      0.56258147024866      0.55887881070579
  C   -3.63821255626419      1.20221397637163      0.65630700891467
  C   -3.93076549667131     -0.24384735579371      6.97427278602948
  C   -4.63886646689334      0.02949781934277      8.30443310004573
  O   -5.55279282583493      1.16022464731895      8.21428634846757
  C   -6.72726920713070      0.92280283305644      7.60539775591125
  O   -7.08909987628961     -0.15251174422418      7.16213549377552
  C   -7.58461094097174      2.16274704560353      7.54647543298153
  N   -7.84501953862309      2.75607053293410      8.70237662455064
  C   -8.73077213363980      3.78995651820584      8.66044646650882
  N   -9.36682242244474      4.26063116580581      7.60636346025089
  C   -9.07313302524513      3.67810789443050      6.40567418398685
  C   -9.69688666041234      4.15566216403377      5.22891754323759
  C   -9.36837959803924      3.60862012657738      4.00633357412726
  C   -8.40558415487861      2.57565014313813      3.90889521305993
  C   -7.80328574049680      2.06698555002401      5.04002909150199
  C   -8.13735414026303      2.59765742808831      6.31036791146956
  H   -3.22533783787221      3.57801921797080      7.91325522860049
  H   -4.55528413135776      2.86028035269547      6.99467907441031
  H   -3.86179567046322      5.85908817458600      7.11480163968836
  H   -5.15542674140962      4.99742346646247      8.01895467196880
  H   -9.35351664932767      7.13766402192208      3.95173122237342
  H   -7.67291296037291      6.60118815457646     -0.29819128830985
  H   -5.44753941455157      5.93599442462856     -1.22480269071071
  H   -3.57481421818109      5.34937401800227      0.31146592211936
  H   -3.87319195343278      5.44948359475923      2.74986521774511
  H   -1.65959958163891     -1.49000792151715      5.29397100596059
  H   -1.11248707165192     -1.69729756960534      3.61567370883628
  H   -3.95763128845854     -1.46798794439689      4.72010491683861
  H   -3.27792867087980     -2.63864160011724      3.55340214640048
  H   -6.83026165695051      3.24660952193022      0.84118158277536
  H   -3.80939612548297      2.48775781791851     -2.52661647253068
  H   -1.61432764900403      1.30103802454254     -2.68121442114396
  H   -0.69535765711123      0.11296029278343     -0.69266526123039
  H   -1.97301828167359      0.05580979051147      1.43425194948208
  H   -4.71131052407085     -0.36363370847853      6.21279306793435
  H   -3.44288341758351     -1.24009360102150      7.09737411263329
  H   -5.20666052446745     -0.85836650702629      8.61666582306942
  H   -3.94127117740335      0.31805124956641      9.10033470278980
  H   -8.93919301222235      4.26786457230484      9.62249574974782
  H   -10.41274608752857      4.97282780261975      5.32305481978102
  H   -9.83526921348548      3.99208993715677      3.09735474293010
  H   -8.12163281602133      2.18376546374376      2.93212817703844
  H   -7.05845275934192      1.27560155599058      4.95776598612670
  N   -2.40449674036445      2.77947616920111      3.20167551447150
  N   -2.08453287939627      3.46833078023021      2.22582647351789
  H   -1.50199643338226      2.94170713393436      1.53610528650974
