98
Coordinates from ORCA-job orca
  N   -2.55618135851074      3.35263313183215      6.52576069083783
  Mo  -2.48780915578419      1.68537200626746      5.43718465495882
  N   -2.98242142613382      0.03764599761321      6.41124162684140
  C   -2.17802946702872     -0.57244532734892      7.46959397413847
  C   -1.41389888708341      0.49159179319753      8.23092976642039
  N   -0.81004950334935      1.45019435461800      7.28773003830806
  C   -0.60648941192282      2.79731001804753      7.86900370056350
  C   -1.26019884002541      3.85667897217873      6.96475870381678
  C   0.38053190955786      0.93135189091298      6.59523958669247
  C   0.57919320418229      1.70973738745650      5.30849302632219
  N   -0.67664385718649      1.77536350702472      4.55017284665836
  H   -0.62346433619589      4.06184553675116      6.09319920404000
  H   -1.35733581502169      4.80655763364961      7.51625501215657
  H   0.46730201551989      2.99892298560766      8.01604126342723
  H   -1.08619906835889      2.81960554541564      8.85680933869761
  H   1.35189216471083      1.19704883955353      4.71074719128806
  H   0.97549747431589      2.72285913661116      5.52100828634416
  H   0.19279697245759     -0.12260759679334      6.34635545705908
  H   1.27529967437736      0.98359819198967      7.24374013083557
  H   -2.81800456458554     -1.11528928776974      8.18684471720888
  H   -1.49769844685365     -1.32992650853462      7.03205005264868
  H   -2.12599148898316      1.05510850936298      8.84809614110046
  H   -0.65552932426521      0.04172437153324      8.89839515981929
  C   -3.67927804851851      3.80676374922525      7.33299305003533
  C   -4.06341251621819      5.26904830474665      7.14831362688015
  O   -4.77690387414683      5.49733036582549      5.89580222982004
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  C   -5.12042887120986      6.60055894832174      3.84804041337405
  N   -5.86355417149275      7.64922608086462      4.16470067262788
  C   -6.71650130237117      8.09315920820065      3.19949825443326
  N   -6.91433233916274      7.57736172987764      2.00238425192312
  C   -6.16592846850280      6.47992902003222      1.67977482946301
  C   -6.35923696879134      5.84061415319201      0.43110746962233
  C   -5.62123711531558      4.71915928092404      0.11075665830127
  C   -4.65379539587843      4.20511416080826      1.00756852837144
  C   -4.44160054592029      4.80971320498651      2.22768419997829
  C   -5.20106798440429      5.94623855810125      2.59187397437217
  C   -0.40124117949815      1.72016790197770      3.11192123714086
  C   -1.45363019638594      2.34719763719185      2.20590810845701
  O   -2.41758790689472      1.46707321004217      1.58597069207757
  C   -3.19448675492713      0.69691942920865      2.40551631244913
  O   -2.79019970083335      0.38232386808516      3.55867070993669
  C   -4.48262881792997      0.31022962754179      1.87636012079349
  N   -5.29630008135082     -0.29021509610995      2.79176263018655
  C   -6.56509589430585     -0.52184818904926      2.44003762245268
  N   -7.17740257350734     -0.19328391109477      1.30327575698338
  C   -6.37145138645266      0.34769067419482      0.33347359169918
  C   -6.95831813564348      0.67787817139350     -0.91092046486642
  C   -6.18649026166723      1.15680119599897     -1.95519438513662
  C   -4.79774659573801      1.30399488874504     -1.78765233660950
  C   -4.19887951451435      1.01280613454411     -0.56877695836622
  C   -4.96557697281251      0.56839678267357      0.53382649739425
  C   -4.11910299778537     -0.79901898988876      6.02238146676495
  C   -5.28068998177541     -0.71066076437668      7.00720032368473
  O   -5.79205482656820      0.64776328485269      7.07827104149008
  C   -6.85528727039436      0.92804514887608      6.30359656043267
  O   -7.45862323055295      0.12442589039730      5.61563620222965
  C   -7.24681191317778      2.38263484534363      6.40462965489167
  N   -7.21546675998335      2.92452160869309      7.61491685974365
  C   -7.65736946005853      4.20660019977807      7.71800891968704
  N   -8.10323721405176      4.98310015313495      6.75082272015367
  C   -8.11007968375007      4.44701653968726      5.49458598926161
  C   -8.56084145064140      5.23759931650416      4.40991803784819
  C   -8.56122180330874      4.71831831545235      3.13283499892331
  C   -8.10472483243521      3.40056743248292      2.88756436914229
  C   -7.67536963446098      2.60072665085524      3.92462431939061
  C   -7.67662029298667      3.10166140761937      5.25176037784931
  H   -3.45401658364236      3.68306524588792      8.41369063556973
  H   -4.55542788448583      3.17436943262117      7.13720446171678
  H   -3.19041031095499      5.93384054037888      7.17871770115497
  H   -4.78158677301553      5.56337426026024      7.92598472110819
  H   -7.30762632287692      8.97419641306415      3.46664324558907
  H   -7.10582034581130      6.25393034192225     -0.24846235749684
  H   -5.78015962518600      4.21047418561271     -0.84191400103616
  H   -4.08791715643678      3.31640201811693      0.72925397919441
  H   -3.70772055224666      4.40600466152070      2.92544421082911
  H   -0.20114306432745      0.68313770665738      2.77973943110351
  H   0.52937974661588      2.29013057563571      2.93421725795899
  H   -0.96238326976905      2.81018725636860      1.34130542644770
  H   -1.99572409786295      3.13001153332887      2.76009626266388
  H   -7.18335708959085     -1.00744347526894      3.20263862568001
  H   -8.03212342467060      0.51588816473225     -1.01822557612600
  H   -6.65054044607721      1.40032244503596     -2.91286376735503
  H   -4.18190391331133      1.64840106316171     -2.62044504197824
  H   -3.12408298459241      1.13281780523822     -0.45872142762901
  H   -4.45986863108008     -0.52888064615855      5.01152649505389
  H   -3.80760142932217     -1.86107809012818      5.97698503460713
  H   -6.08725638737458     -1.38951002925772      6.70034693714658
  H   -4.97374632481349     -0.94148991587031      8.03614644660321
  H   -7.64041689711992      4.62942475729099      8.72745665243969
  H   -8.89198313816812      6.25505407738882      4.61981584987929
  H   -8.90507910808058      5.33141504931047      2.29893977856791
  H   -8.09488325021290      3.01095165757788      1.86853657636666
  H   -7.34584980831347      1.58186461923569      3.73238577766319
  N   -4.13681606412358      2.37798525377307      4.62892634247840
  H   -4.73446082108824      1.81159023515562      4.02143335700748
  H   -4.54415200654362      3.29278446831242      4.81245779740529
