98
Coordinates from ORCA-job orca
  N   -2.34405795332414      2.01065107052899      4.52347738294910
  Mo  -3.43499372593145      3.43048651560646      5.33392910619108
  N   -4.36373309803582      2.89721875032126      6.96956760425091
  C   -3.63787950996438      2.96567840070675      8.24157065212767
  C   -2.20402359874047      2.50893993321688      8.02033172958717
  N   -1.64360886137308      3.21146447429301      6.84121378234359
  C   -0.59041002666105      2.42453161584081      6.15746882806844
  C   -1.24484092190809      1.38892704501027      5.26722088906982
  C   -1.16426786194242      4.58229113467566      7.16409298936506
  C   -1.34506404850485      5.43411177210146      5.91138544930939
  N   -2.72264325614338      5.24684742445142      5.46075394810961
  H   -0.49753072179890      0.98506173381037      4.56278845710232
  H   -1.61159963493861      0.53099989552874      5.86212997702161
  H   -0.01223901249588      3.11942598638704      5.53413597156073
  H   0.09748236131880      1.96433115810136      6.88689278451559
  H   -1.14611324324235      6.49490011771791      6.13028307834698
  H   -0.63583382943192      5.12969622118612      5.12558297517652
  H   -1.79886040815962      4.98523998355309      7.96560161771003
  H   -0.12229442057864      4.55587098906237      7.52737305929349
  H   -4.11528270931788      2.30414075366020      8.98415923802610
  H   -3.66396707245178      3.98717157159755      8.66424733511193
  H   -2.20548293699998      1.43316214129580      7.79626021517321
  H   -1.57714311538146      2.67565994275420      8.91276321371944
  C   -2.74850081908310      1.21741738209140      3.35176460543305
  C   -3.57207388541551     -0.05000952768340      3.65536615508814
  C   -5.09900985660775      0.17970197005590      3.64779683376904
  C   -5.61757997203804      0.43760706587916      2.26040668430482
  N   -5.61484802625572      1.69861354225003      1.82856540488196
  C   -6.04923524567395      1.93743494169239      0.56027958682208
  N   -6.48611100238862      1.05797939594935     -0.31455389995876
  C   -6.49558433532024     -0.24647633324662      0.09595150199952
  C   -6.94761532575030     -1.24463597188278     -0.80062517331704
  C   -6.95190946850461     -2.56867512399513     -0.41469630186575
  C   -6.50851286202562     -2.94513452102818      0.87522903822936
  C   -6.06955767659475     -1.99228063556635      1.77120466615743
  C   -6.05417713069104     -0.62162834812989      1.40604043424617
  C   -3.64064201982456      6.35689613157450      5.74718524342916
  C   -3.64454687583735      7.44326955481361      4.66780468996783
  C   -4.23276214145720      6.97572561473097      3.33857133089875
  C   -5.72365495895942      6.74134029160396      3.34320529202118
  N   -6.40174837060614      6.99399858857068      4.45543477502068
  C   -7.74773492456999      6.79063050240947      4.43351238248497
  N   -8.48240746145247      6.36403909166512      3.42913914410267
  C   -7.80972425638906      6.09716680908414      2.26732072228206
  C   -8.53494986411859      5.63104453681176      1.14351434631191
  C   -7.87896673541450      5.36914325748151     -0.04132930845589
  C   -6.48065187083508      5.55924428176903     -0.14776361161198
  C   -5.74808054736472      5.99775916723171      0.93757884967067
  C   -6.39452853040291      6.27518866217755      2.16774831491539
  C   -5.80717129882172      2.66854769618076      7.09193688978721
  C   -6.60071897577288      3.96740393228667      7.29798472351880
  C   -8.11422297507526      3.76516253036564      7.27705294639968
  C   -8.70955261558516      3.44126202276213      5.92815491692988
  N   -7.90298059662313      3.34818638331124      4.87843305229048
  C   -8.45721803723091      3.05263332832883      3.66882310947113
  N   -9.72639265911239      2.84704830824866      3.40181043446236
  C   -10.58758900265641      2.95244986011805      4.45977045123970
  C   -11.97261294961877      2.75892671308186      4.24083755161656
  C   -12.85862441212841      2.86040387830980      5.29331918857922
  C   -12.39780189349961      3.15556120851339      6.59792286287174
  C   -11.05246462539763      3.34756444149764      6.83926269743686
  C   -10.11837110422180      3.25144169527278      5.77777660060474
  H   -1.81899473376322      0.92867950266331      2.83134086776711
  H   -3.30685799905728      1.86170389324756      2.65910348102294
  H   -3.27583225595719     -0.45489454105601      4.63484730734911
  H   -3.32224032437746     -0.82183037928756      2.91115630860561
  H   -5.59900387660140     -0.69440906172990      4.08475581512963
  H   -5.34087414402548      1.04841160795537      4.27522137165974
  H   -6.03354543144695      2.98655044288341      0.25114234360462
  H   -7.28350358938486     -0.93153956395638     -1.78987192062604
  H   -7.29981777648359     -3.33671089225460     -1.10729788328391
  H   -6.51777151348283     -3.99781367742108      1.16125348737702
  H   -5.73141698789403     -2.29675000978233      2.76181445733724
  H   -4.66423321620701      5.97236636974007      5.85427936605157
  H   -3.36864692331294      6.80000215313793      6.72224871753534
  H   -2.61481624168691      7.79675912227526      4.50090011036985
  H   -4.22396597102659      8.29636622930950      5.05018263958745
  H   -4.00938995452185      7.71708526987002      2.55284726319069
  H   -3.73102228992754      6.04802668836687      3.01538785727891
  H   -8.26991214156031      7.01105196864502      5.37057362625749
  H   -9.61080727086847      5.48786076035867      1.24970452830812
  H   -8.43892158397905      5.01048398381161     -0.90637163926143
  H   -5.98117114577125      5.35392738618478     -1.09605289839349
  H   -4.67050094598713      6.13775653721492      0.84602628808650
  H   -5.99100380398440      1.98330902421202      7.93896315020464
  H   -6.16921216112535      2.16652744283018      6.18685877849886
  H   -6.31448500250976      4.42434844071434      8.25744264699899
  H   -6.32329119157720      4.68192149484293      6.50834863638152
  H   -8.40585478443808      2.97130254899440      7.98711130134536
  H   -8.60822583788688      4.67735326162321      7.65135484625395
  H   -7.75004530979216      2.97899324997661      2.83765533168993
  H   -12.30547345254162      2.53312436410269      3.22706329308550
  H   -13.92621723862753      2.71336028649131      5.12239542419706
  H   -13.11430742695492      3.23256535612468      7.41690942521500
  H   -10.70973783263080      3.57655543206871      7.84873110149188
  N   -4.98124188639469      3.49938607738239      4.19458261311842
  H   -5.02335455287638      3.23791537693610      3.19425617534108
  H   -5.96254828600080      3.58125789752701      4.53563336505565
