98
Coordinates from ORCA-job orca
  N   -3.60856781881380      3.16802149865622      4.19210355198969
  Mo  -4.18046071649895      1.47685891976145      5.08321864156658
  N   -5.33001685488675      1.50425787990988      6.71276237065000
  C   -4.70718292004866      1.90188021934881      7.97053207589620
  C   -3.50709655587215      2.80064402103827      7.70298909223095
  N   -2.68710208118610      2.24604189810960      6.59865426996975
  C   -1.88122107917359      3.28492080771558      5.91388646907756
  C   -2.76532090496332      4.08166748595952      4.96293999089706
  C   -1.88042123107958      1.06435718641053      6.99339042013652
  C   -1.60795240665081      0.19393441012924      5.77044889851959
  N   -2.84516413220078      0.02004198615407      5.01579313967380
  H   -2.11272180810711      4.66632533641623      4.28662047719754
  H   -3.36422290230040      4.82518802306020      5.52633948738391
  H   -1.11081364082440      2.76384306819825      5.32924399607367
  H   -1.37497614147388      3.93659416312972      6.64936616697405
  H   -1.21809325311209     -0.78292995975990      6.11434325674710
  H   -0.80519713333492      0.64398793188715      5.14923967316471
  H   -2.47897894735465      0.48834704461487      7.71283714687209
  H   -0.94321029882369      1.37442120645506      7.49031824740241
  H   -5.42712395043151      2.45419507316784      8.60696997599128
  H   -4.39361438676068      1.01907481708916      8.56449503706295
  H   -3.86053260118081      3.78725106835682      7.37164145042508
  H   -2.89791113523087      2.94210816424067      8.61453408838604
  C   -4.07557668500996      3.73437882861211      2.93489286209343
  C   -5.14582092408734      4.82774374639331      3.10535038020222
  C   -6.43892330996298      4.29812501919228      3.68665883089032
  O   -7.04347031865954      3.46353672633694      2.66083339775741
  C   -8.07238558259249      2.69609413693088      3.00993029300468
  N   -8.54752048465299      2.70974253119537      4.24241674096686
  C   -9.60654860072720      1.89679639387240      4.50001131031242
  N   -10.24944788401663      1.10602939697443      3.66569433750639
  C   -9.76730356306703      1.08874973457485      2.38188882793213
  C   -10.37095222948858      0.26782501897278      1.40152936765124
  C   -9.84319237170332      0.25906640424210      0.12729589958016
  C   -8.72367183063049      1.07080455086959     -0.16097113260370
  N   -8.13687983444210      1.86243274006636      0.72697654260659
  C   -8.64857514947914      1.86890763010053      1.98062802169387
  C   -2.81529770628491     -1.01919235899575      3.99383288287976
  C   -2.33163795923110     -0.50372162537642      2.62336597073454
  C   -2.88955048883931     -1.34421065389492      1.48867440389526
  O   -2.48483697230948     -0.81491628685026      0.19444711471115
  C   -3.19537168839092      0.18531433588994     -0.32585793673201
  N   -4.28766496173549      0.64647021081512      0.26085351050854
  C   -4.94762611940666      1.66931290791300     -0.35307333203030
  N   -4.62654851950755      2.27261905802538     -1.48044256093012
  C   -3.49785788139366      1.80553007930398     -2.10065987979007
  C   -3.06236405479716      2.38156377958654     -3.31777258253905
  C   -1.92250217898594      1.88809777059336     -3.91561711920522
  C   -1.22401014392910      0.82527873393621     -3.29712323471308
  N   -1.59630540497730      0.25738728631524     -2.15820475567986
  C   -2.71711545561368      0.74038913584626     -1.56870163319687
  C   -6.54583863899968      0.72325475114225      6.89255534532408
  C   -6.31016686972652     -0.62027110678360      7.61558793217863
  C   -7.31860676924820     -1.68498753664365      7.23159581720417
  O   -6.94894447350215     -2.18247091189148      5.91267993014854
  C   -7.88124111923195     -2.30379787904324      4.96877800405316
  N   -9.14363811553522     -1.99558786066284      5.19951520902826
  C   -10.01400661144298     -2.11954001551289      4.16480273457945
  N   -9.75797676852874     -2.51132350989728      2.93312783485148
  C   -8.45131039593806     -2.83688332323542      2.68016922994868
  C   -8.05740560060195     -3.24700531184732      1.38516766223245
  C   -6.74092712905605     -3.59570965400404      1.17071741614470
  C   -5.83174300761009     -3.54666862751869      2.25196431897192
  N   -6.15385375548051     -3.14839731936476      3.47436913022602
  C   -7.44102180920133     -2.78180726243113      3.68119182802302
  H   -3.21991926408170      4.16490811850545      2.37782300763956
  H   -4.48829827305960      2.92534497043199      2.31841431528043
  H   -4.77220197373468      5.62484452961325      3.76787444803846
  H   -5.34722007774640      5.29546910492795      2.12822124712653
  H   -7.14561337836814      5.10186249401910      3.94192292902615
  H   -6.26496531112060      3.68782263808505      4.58546495920274
  H   -9.96296964055068      1.91498239901244      5.53510030248308
  H   -11.22169354838001     -0.35156705847333      1.68400806467770
  H   -10.27311160688775     -0.36722142142570     -0.65580510774892
  H   -8.29014872930288      1.06863084912506     -1.16625861446897
  H   -2.18329748450393     -1.86303915162662      4.32880941797772
  H   -3.83792907219834     -1.41133359385194      3.88195855111279
  H   -1.23275780122461     -0.47215307402421      2.56371018165278
  H   -2.70304061442474      0.52553938863312      2.50657414044795
  H   -3.98598152556808     -1.38033231694392      1.53828610517623
  H   -2.48763270571881     -2.36621280119513      1.49147876982055
  H   -5.85550470988160      2.01227290343893      0.15761070971729
  H   -3.64326518557026      3.19960218348475     -3.74666535563601
  H   -1.55266229088634      2.30344901863016     -4.85432012297440
  H   -0.31769752809760      0.42695376347789     -3.76361776837040
  H   -6.96879889894253      0.53339315190466      5.89755764052655
  H   -7.29835992270458      1.31110291482931      7.45714892364311
  H   -5.30201892553297     -0.98802724184741      7.36126352122141
  H   -6.34262805847476     -0.49371939847666      8.70915959647093
  H   -8.34863260859405     -1.30683507821727      7.20247015274976
  H   -7.27387138244746     -2.55165653576211      7.90745766947322
  H   -11.04824561478283     -1.84861777476825      4.39405204088492
  H   -8.80820012643828     -3.27747096551586      0.59404773543422
  H   -6.39387776253424     -3.91595228534306      0.18706457764891
  H   -4.79099566129226     -3.84863098618296      2.09896398879226
  N   -5.28884186660239      0.80123744517346      3.84331043042913
  N   -6.05530113481288      0.26262102714388      3.02397526086251
  H   -5.68592604719709      0.32906786942090      2.05469543697068
