97
Coordinates from ORCA-job orca
  N   -2.82427405113163     -0.54049154173137      5.03832654161459
  Mo  -3.80283415397314      1.08796088724402      5.70297701389376
  N   -4.87767777320037      0.85402005247908      7.32804393021414
  C   -4.28927233227292      0.44615435103648      8.60364238730375
  C   -2.95739772535713     -0.21417220445860      8.32991556951129
  N   -2.23584177332309      0.57688153505765      7.29681890242831
  C   -1.13079906203593     -0.21681433824230      6.70061563744305
  C   -1.73488729673641     -1.20239569761598      5.73875138918693
  C   -1.69471492381682      1.85695457529407      7.83954247284747
  C   -1.47869198044608      2.78034468581630      6.65799554378617
  N   -2.71505693052372      2.75204691213227      5.87009303151085
  H   -0.97197584852941     -1.55168742982214      5.02129027908552
  H   -2.11206874191106     -2.10770650093864      6.25457825551450
  H   -0.47457682499802      0.47442582311966      6.15902368915635
  H   -0.54348087102489     -0.70162715432990      7.49680370434348
  H   -1.26421262428483      3.79893387256937      7.01591699802595
  H   -0.61730122575223      2.47306385752561      6.04307010454576
  H   -2.44926685524456      2.29641569965609      8.50445386380994
  H   -0.77708065936624      1.66054298079729      8.41952142872526
  H   -4.95850007604828     -0.26719999445101      9.11592234840998
  H   -4.18157545479134      1.32057428747315      9.26723383773115
  H   -3.11595805053000     -1.21903480666326      7.91738256352078
  H   -2.34372653365665     -0.30184584376488      9.24111446737072
  C   -1.36361287743836      3.23757975726387     -1.49861784088526
  C   -1.80517737881740      1.79819875985282     -1.42306106818700
  O   -1.61551223451018      1.04320502187857     -2.37310293253604
  C   -2.48997303273006      1.27305601112355     -0.18955538125694
  C   -2.96233212390500     -0.04705566564290     -0.25669985486741
  C   -3.61764896140211     -0.67080630338581      0.80096383934474
  O   -4.02435397584053     -1.96243322149236      0.63747175316109
  C   -3.80889834914529      0.04126511699127      2.00851123077021
  C   -4.41926924806413     -0.64637316311432      3.24156257880716
  O   -5.44831132858521     -1.56459513464469      2.84331135554935
  C   -3.38110178195986     -1.42244851439399      4.02971833053441
  C   -3.34947554157882      1.35655019557671      2.07882072042184
  C   -2.70078706417126      1.98500330877475      1.01109725315536
  O   -2.26463610782836      3.28140903741040      1.13842938714156
  C   -8.17715588593661      9.43881796233388      3.89429607240269
  C   -8.41679852352411      7.99019747178265      3.59333178312187
  O   -9.47053843850638      7.63460857725222      3.02821056813159
  C   -7.41754360828479      6.97238129688240      3.97722477174008
  C   -6.18843960487058      7.32168582982047      4.55722753108883
  C   -5.25779690417262      6.36002737346223      4.93463083460099
  O   -4.06549158739002      6.69464885775656      5.50318774660958
  C   -5.55736259463542      4.97943953497024      4.74665846985429
  C   -4.67272610649751      3.91598217828132      5.17423939626711
  O   -5.07117923049653      2.70557684887728      5.11585803817116
  C   -3.29332587066529      4.06974582554069      5.69207924339293
  C   -6.79147108703136      4.62978858230607      4.16498498019263
  C   -7.71631705471226      5.59074386277248      3.76913223188824
  O   -8.87737220131311      5.19463283639647      3.22371635226940
  C   -11.79798632012984      6.16751338816161      5.83610233078136
  C   -10.40059325426740      6.54004904356427      6.27041320105443
  O   -10.05473014107725      7.71738788091161      6.26278956448320
  C   -9.42073993780489      5.48673279273061      6.71566550535774
  C   -8.26922512567542      5.97587354931944      7.34157473119001
  C   -7.24047942984129      5.14184299833290      7.77148105163578
  O   -6.15787201257887      5.69516364641893      8.35163122216116
  C   -7.35018581089722      3.73627518621093      7.54322673287660
  C   -6.21112931111128      2.87934075934285      7.86061151197890
  O   -5.19204181417470      3.34496201401333      8.41449538002150
  C   -6.21722253690069      1.39892332063946      7.46082456010846
  C   -8.51485988630603      3.24265844481288      6.92967443306731
  C   -9.54856559491260      4.08172323685879      6.52183203881373
  O   -10.60164899962467      3.45334660148401      5.92771007462747
  H   -2.20312664511826      3.91730945952444     -1.29470016352985
  H   -0.95144122100880      3.42587958004672     -2.49590319850142
  H   -0.60519130288006      3.44880408063951     -0.73071363647156
  H   -2.80365167168197     -0.59565031652919     -1.18621635947277
  H   -4.67598856552504     -2.14247306768102      1.36175538739013
  H   -3.88663302293577     -2.28740241278878      4.49990512866167
  H   -2.58512045986158     -1.81145800192166      3.37341263266174
  H   -3.48281317028902      1.91723842451149      3.00977326724667
  H   -2.50323630003913      3.59275585310009      2.03015634180300
  H   -8.08917980307023      9.58332474603672      4.98182115059793
  H   -7.24300886175355      9.79235533258444      3.43303958589326
  H   -9.01900819461547     10.02835993565249      3.51772824623325
  H   -5.95352024107949      8.37400181015034      4.72815129383209
  H   -4.02962971034969      7.66169997986453      5.62570384397678
  H   -2.69127351273083      4.72126884955195      5.02903817357535
  H   -3.34163318185335      4.61893824465507      6.65419176685727
  H   -7.04035218647296      3.58028417792907      4.02590781918328
  H   -9.35846641959827      6.06440866812270      2.99719157546531
  H   -11.77167280822175      5.72127164421682      4.82478466663827
  H   -12.27985564934282      5.46513378318137      6.53418170146525
  H   -12.40302669586005      7.07834490796784      5.76728375341611
  H   -8.17823357530228      7.05280296231661      7.48346230678236
  H   -5.55133848872051      4.91861494818111      8.56274248893637
  H   -6.77101910962407      1.27427830796132      6.52386665543054
  H   -6.78597715364653      0.84346700839722      8.23187182159759
  H   -8.64195506844821      2.17608862177652      6.74550724550270
  H   -11.25250327141423      4.10195422735571      5.60467883150302
  N   -4.97410446249145      0.31814268982704      4.18874151286712
  N   -6.16303105694265      0.82406401226993      3.61818920355211
  H   -6.23377087652880     -0.97335274574322      2.73276802732081
  H   -6.77568123241177      1.17540204782148      4.35313232010437
  H   -5.96351243190810      1.60212012540210      2.97407592045635
