98
Coordinates from ORCA-job orca
  N   -3.55698722634537      1.69317584268502      4.65399581767850
  Mo  -3.52644956707892      3.79553324459295      4.44495949214738
  N   -4.90932653756202      3.83385076736185      5.97756508926523
  C   -4.31057275213742      3.65726970884921      7.29710849259420
  C   -3.09617778396447      2.72850759044409      7.21763963363511
  N   -2.17550101942497      3.14818806683318      6.10323358725940
  C   -1.37024869062019      1.99781776019903      5.60505484243289
  C   -2.22553771397671      1.13448574975427      4.65195272355064
  C   -1.28290714322532      4.27217704966858      6.53525125717926
  C   -1.30284712871156      5.33622492605328      5.43948244091449
  N   -2.70471202068654      5.54218892449478      5.11671079671783
  H   -1.76400335242862      1.14391474532848      3.64228490618662
  H   -2.23605133005461      0.08028133546388      4.99065740281219
  H   -0.51390513939548      2.41863540334330      5.06375023198036
  H   -0.98397060399872      1.42782898301293      6.46724755940408
  H   -0.80881571839642      6.25794098319742      5.79733214164053
  H   -0.76146976155703      4.98265817425145      4.54899583310303
  H   -1.70246851422784      4.69405143695815      7.45886385724873
  H   -0.27769580149425      3.88545775115328      6.76757193443341
  H   -5.02342720259277      3.19926285686341      8.00931376686914
  H   -4.01286737908061      4.62396874200422      7.75194397231039
  H   -3.43809397129068      1.71785946645203      6.97390880709491
  H   -2.52583346134564      2.70759062174917      8.16314864772074
  C   -4.35422525181331      1.50875256638722      3.48576771743308
  C   -5.55327246098645      0.57822296867618      3.71525007988055
  C   -6.60947680109765      0.61172564119028      2.59349443855966
  C   -6.03905914729616      0.35542611990313      1.22725728365360
  N   -5.88151941065290      1.40711881529482      0.42841137521120
  C   -5.30674792426189      1.19397566528256     -0.78584500216687
  N   -4.86785535065814      0.05485335833320     -1.28236793697343
  C   -5.03619926656662     -1.04703844363712     -0.48925140951187
  C   -4.60309319135628     -2.30987734254637     -0.96300915417672
  C   -4.77272555852271     -3.43612976646915     -0.18465852814371
  C   -5.38279715480224     -3.34718168012249      1.08882361121561
  C   -5.81015020429597     -2.12854427695868      1.57585251482260
  C   -5.64187526282487     -0.95175911443733      0.80315175910131
  C   -3.36106300424342      6.48598597250381      6.01468426020770
  C   -3.13587757202022      7.94306956486794      5.58478945118629
  C   -3.60874220289970      8.24069652803262      4.14979045395167
  C   -5.05518682618124      7.88001925920927      3.96693953226381
  N   -5.94390439010960      8.69613974356323      4.53212160918803
  C   -7.25441409804955      8.36650785020000      4.42119570839999
  N   -7.77856120952780      7.32467210645286      3.80190086373662
  C   -6.88771310506552      6.47701328018043      3.20719513732742
  C   -7.38188638050103      5.34485795490975      2.50791071414242
  C   -6.51165719219642      4.46902415586331      1.90050471755511
  C   -5.11177587588031      4.69081176973833      1.95692771971196
  C   -4.59694349636690      5.79164636087074      2.62644261999344
  C   -5.47889898361086      6.70809666636035      3.27087808059747
  C   -6.31436280974823      3.50720834219562      5.90980915003903
  C   -7.25627622507732      4.56699976565610      6.51804047695250
  C   -8.61144824571618      4.02781455092906      6.97726872092947
  C   -9.51297836963825      3.44082829062949      5.92254286323564
  N   -9.12732211602625      3.47667324716383      4.65468608822030
  C   -9.95402771696870      2.92441990726634      3.72669142679768
  N   -11.11827100693474      2.34126957577462      3.92281255365409
  C   -11.55163501492258      2.30425248981721      5.22121861553174
  C   -12.80340435078283      1.70822783266428      5.51134572618128
  C   -13.26482713101147      1.66514013532843      6.81087603144335
  C   -12.49652494305060      2.21131181172298      7.86522943734577
  C   -11.27138179533103      2.79462056630531      7.60901820249452
  C   -10.77120116292452      2.85426684676876      6.28454719648411
  H   -3.77170644004495      1.20675586308803      2.59082089784024
  H   -4.80554129881599      2.51684103864992      3.19083445770651
  H   -6.03327048677762      0.86398130010492      4.66154047648704
  H   -5.16038253415746     -0.44239919656498      3.84545733204623
  H   -7.39278743371678     -0.12742484209813      2.82112464672345
  H   -7.08577012300895      1.60153048621052      2.57643575074770
  H   -5.19445519820511      2.08385252773961     -1.41370109056265
  H   -4.14355110495908     -2.35650499389068     -1.95122074450166
  H   -4.43997678560298     -4.40798845255818     -0.55332895871395
  H   -5.51693567125478     -4.25014462838114      1.68643718096490
  H   -6.28421945442462     -2.07067207431790      2.55609045367894
  H   -4.43788757381865      6.26579375305021      6.01556557100172
  H   -3.02067540826417      6.39098875161301      7.06694618741592
  H   -2.06900783656275      8.20789753254873      5.66153133051729
  H   -3.68136959110602      8.59509117072798      6.28590957362543
  H   -3.50197408649057      9.31812875127923      3.95546938026875
  H   -2.97400726113867      7.69998948443347      3.43842163970575
  H   -7.95581097995546      9.05552131440512      4.90350971336172
  H   -8.46128868548312      5.20240711095345      2.47553515480748
  H   -6.87267669696748      3.59790800654113      1.35101718625426
  H   -4.43851785071542      4.02990659044825      1.40922581151756
  H   -3.52877907364678      5.99205578150575      2.58828887708603
  H   -6.51199752049664      2.53589246292627      6.42310156859700
  H   -6.59958387312552      3.35923785593998      4.85787897602026
  H   -6.76601433689282      5.00531702927407      7.40238568312315
  H   -7.39610047563311      5.38603294348560      5.79752324246669
  H   -8.45284125160502      3.25373251743992      7.75005159397045
  H   -9.17438351319293      4.82860652421721      7.48895167746571
  H   -9.59498836641735      2.97159978305082      2.69254978629247
  H   -13.37927265829106      1.29588259124847      4.68160375081166
  H   -14.23107652465674      1.20795163982483      7.03118169859757
  H   -12.87764517715305      2.17043258751816      8.88684880297235
  H   -10.68669888519203      3.21445412448483      8.42794626774095
  N   -2.30660405614150      3.71259156857745      3.07236652398030
  N   -1.54412767456619      3.74964971998205      2.08079084867722
  H   -1.33292708200010      2.79372815995607      1.72211341064846
