98
Coordinates from ORCA-job orca
  N   -3.68797293609424      3.27082496888781      4.41678791907513
  Mo  -4.03592620040674      1.47061431920645      5.19455199535774
  N   -5.23468672264477      1.40053723852143      6.77732208378744
  C   -4.69255459437796      1.79969575934749      8.07104494309531
  C   -3.56661184285388      2.80361370978950      7.86123741075345
  N   -2.67620127178870      2.33998479155689      6.76687036569520
  C   -1.94806325379458      3.45579838204292      6.11554215424610
  C   -2.88956649358456      4.21545353700142      5.19241384643664
  C   -1.76980481646109      1.24016637132715      7.18188395856746
  C   -1.38137216710250      0.40535563616727      5.96619302446789
  N   -2.57843140033661      0.11429115328246      5.18850190694881
  H   -2.28589620401300      4.85631280333264      4.52060857669268
  H   -3.52423731494028      4.90971111339923      5.78114221048874
  H   -1.14180129153407      3.00773354049208      5.51864034979078
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  H   -0.90768668385780     -0.53061212367082      6.31953992612694
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  H   -2.33088918582142      0.60689094982676      7.88265830897281
  H   -0.88316436157452      1.64019559277255      7.70656547402930
  H   -5.47630259975403      2.26419053015450      8.70136337258194
  H   -4.31886654432136      0.92554096918245      8.64242381511313
  H   -3.99299900964687      3.76431811292293      7.54126683597704
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  C   -6.77294746442240      3.94930783894140      4.20834898678632
  O   -7.26943891412791      3.17251374551519      3.08097865675694
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  N   -9.32936453291054      3.00045751315771      4.12371735531520
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  N   -11.21460831272870      2.03796633631476      2.97369181199991
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  C   -10.07485122235099      0.95667432821847     -0.33424824260124
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  C   -2.43527650757394     -0.94269683426567      4.19691310120156
  C   -1.86956996159516     -0.46356060577665      2.84852291874664
  C   -2.02317136705171     -1.54488643323506      1.78938905876374
  O   -1.92844855726707     -1.02599178326158      0.43244652888037
  C   -3.01856438604322     -0.43139038171872     -0.06301692487009
  N   -4.10231213889785     -0.26297342553294      0.67713396572910
  C   -5.17332398000012      0.33344072732228      0.09104603853540
  N   -5.28016142849569      0.75635409282367     -1.15378437798767
  C   -4.16507647604157      0.58816594335374     -1.93350923404200
  C   -4.16889713516022      1.00562029562880     -3.28452415860497
  C   -3.02689494521533      0.82448301151316     -4.03963251211087
  C   -1.89304713552392      0.23082826286278     -3.44275371689297
  N   -1.84570143307135     -0.17732773311649     -2.17992074369226
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  C   -6.37182570222543      0.49191301981240      6.86462925113643
  C   -6.00802592782043     -0.88466519892861      7.46096227061932
  C   -6.89923892758319     -2.01955813571960      6.98828423947644
  O   -6.53878888573120     -2.39238794497094      5.62565651492690
  C   -7.31825059411018     -2.01341816087671      4.61237823975056
  N   -8.43768093039954     -1.34030769460344      4.81897774916388
  C   -9.17005963955676     -1.00388766724544      3.72766428560343
  N   -8.90880317495291     -1.26507079998459      2.46267687356673
  C   -7.75879924388177     -1.97501378584859      2.23369606096766
  C   -7.38763469002287     -2.31934609415095      0.91416196617117
  C   -6.23217229657676     -3.04708938898293      0.71762946675517
  C   -5.46244352879303     -3.42864739872704      1.83857434240071
  N   -5.76827796984509     -3.12026303198209      3.09232345232582
  C   -6.89820719949697     -2.39648836482429      3.28777586115846
  H   -3.66850823931654      4.53696978776758      2.73977582422186
  H   -4.71056099921631      3.10374445850763      2.60537269106369
  H   -5.30191860246814      5.46087926516272      4.49320172758584
  H   -5.91783060107241      5.35727538243104      2.83997010564998
  H   -7.58251039821817      4.58832562988083      4.58372659874745
  H   -6.48430196148051      3.24780476969295      5.00964959273769
  H   -11.24597704278396      2.78935307570286      4.88987328626192
  H   -11.98418337422298      0.93207228694320      0.69652701170651
  H   -10.43567321522305      0.48931356224895     -1.25175930884182
  H   -8.01340359848660      1.10497131521481     -1.03936389191874
  H   -1.80142727734034     -1.75132702517276      4.61008935628476
  H   -3.42749101850670     -1.38612308382231      4.01776287347618
  H   -0.81619645825017     -0.15733263041360      2.93987317917944
  H   -2.44785337410459      0.42076271228493      2.54375809347703
  H   -2.99309931008869     -2.04998200498438      1.89909712182906
  H   -1.21978165638322     -2.29113682497789      1.83807598546528
  H   -6.04177186872462      0.48659458323517      0.73806489578341
  H   -5.07355343634643      1.46088983288197     -3.69049577853840
  H   -2.98760656282886      1.13269534280109     -5.08554360887394
  H   -0.98282764024419      0.08437527134985     -4.03256165465734
  H   -6.76420133924100      0.35657181599775      5.84974224831229
  H   -7.18192077480911      0.94967711404175      7.46734606777253
  H   -4.96826875134430     -1.12467459197977      7.18098223432644
  H   -6.04719437710904     -0.85997238320363      8.56197413956356
  H   -7.96551095513716     -1.76205661597720      7.02646285352766
  H   -6.71709029537842     -2.93193563109385      7.57192050300230
  H   -10.08890081017205     -0.44669468865705      3.93703439743003
  H   -8.02235020617641     -1.99313311802851      0.08900111614572
  H   -5.90313679820267     -3.32629447485180     -0.28431605795062
  H   -4.54940222958140     -4.01504312962976      1.69372183630802
  N   -5.17874531484349      0.64881916076475      3.73279427415584
  H   -6.05009077144439      1.07376177209421      3.40541243815891
  H   -4.81514662841993      0.06543529401266      2.97382285469018
