97
Coordinates from ORCA-job orca
  N   -2.26486461043573      3.54484182219248      6.83694895421925
  Mo  -2.23070369982324      2.08574673442456      5.47583940099670
  N   -2.94806460982041      0.62174614667023      6.59198485266687
  C   -2.04378633984359      0.03955414982510      7.57991660007998
  C   -0.98696451387444      1.05584193224023      7.99125908514233
  N   -0.43782787452435      1.73497974523971      6.78158117581121
  C   0.11268675130232      3.08170743665568      7.08739678206651
  C   -1.03708422758989      4.04420496861617      7.42530569105718
  C   0.57027195381343      0.89054626141102      6.08141632198801
  C   0.42338865768945      1.11007801698652      4.57737829757601
  N   -0.99113135492566      1.04584255453595      4.29832378782341
  H   -0.77567459132452      5.05969256070317      7.07071184211856
  H   -1.16829757319541      4.12282120884493      8.52131993985217
  H   0.64706849690175      3.41737218001042      6.19045135188146
  H   0.84408100248331      3.02380415645844      7.91351155020096
  H   0.97663573323826      0.32719789158731      4.03041181946154
  H   0.87080176142173      2.08104498920674      4.28218091685414
  H   0.33879877909512     -0.15856927874724      6.30714720270701
  H   1.58274871750444      1.11546069674193      6.45603201521298
  H   -2.57800283714329     -0.28923021138677      8.49080954391400
  H   -1.56750230888917     -0.87361867436431      7.16159118612571
  H   -1.45216832151345      1.82960839651721      8.61422844620848
  H   -0.17444584165642      0.58487793284055      8.57109158716021
  C   -3.49038532816310      3.87930305914037      7.53525418924684
  C   -4.11779000984972      5.18353734979657      7.05151155968152
  O   -4.75022595205652      4.93026114290555      5.77858801142508
  C   -4.31262823764536      5.60918595414194      4.70209576664749
  O   -3.43775832680636      6.45898071179935      4.71680967790663
  C   -5.08080310447118      5.19361816390487      3.46676320672552
  N   -6.28130293119203      4.67168489591406      3.67648570272619
  C   -7.01618042503307      4.34715720185229      2.58423666571747
  N   -6.67973410921144      4.50946023501892      1.31878113735365
  C   -5.44095625077316      5.02825273549821      1.08268359696543
  C   -5.02353288703645      5.19841573534433     -0.26029618530889
  C   -3.76730408538083      5.69199042714632     -0.53427687450622
  C   -2.88410283911071      6.02992382638464      0.51894211930701
  C   -3.26387771265540      5.88908436664169      1.83731628793731
  C   -4.55525921353990      5.39217247388206      2.15365998168832
  C   -1.46560568622976      0.33590034798259      3.12734890515743
  C   -1.78875714736161      1.22486187698198      1.92559696149749
  O   -2.78240232287541      2.23435130610551      2.22844270493038
  C   -3.87997897742077      1.81604092327316      2.93834649869757
  O   -3.80371857285190      1.89054919534691      4.22676466764294
  C   -5.05494941172191      1.31614688938678      2.29926257888804
  N   -5.99408575205561      0.80138779896111      3.14383584358793
  C   -7.08404989930840      0.25453571356608      2.59650571298908
  N   -7.40115854946210      0.13602311618758      1.31042512329726
  C   -6.49840487686235      0.67740119999850      0.43166831779938
  C   -6.79703434204560      0.61275532905782     -0.95043514720315
  C   -5.94263282186438      1.16393604641063     -1.88665279467469
  C   -4.76437910534340      1.80821860656302     -1.46530799968761
  C   -4.44381660404111      1.88142152422441     -0.11875508251030
  C   -5.28326751084159      1.30765606028901      0.86391153784381
  C   -4.14384880400679     -0.18151200937265      6.37387453312433
  C   -5.21865139514587     -0.01464906936975      7.44191221366356
  O   -5.84657068392149      1.28978415115550      7.30616176529234
  C   -7.13303837857269      1.30435017141382      6.90550559732090
  O   -7.81204824557346      0.31589673038063      6.68819962578157
  C   -7.65967811385311      2.71559446757859      6.78979880193642
  N   -7.18551081757966      3.59818024638308      7.65789798143949
  C   -7.70613788890879      4.85119375994093      7.60091088692198
  N   -8.61788406482600      5.30645420433547      6.76579710868094
  C   -9.10175549593658      4.41441215850853      5.85339631399228
  C   -10.07295133454775      4.85136887959701      4.91950219599087
  C   -10.58268639774638      3.96868610220434      3.99154911544041
  C   -10.13942853148347      2.62435402371611      3.95787748458649
  C   -9.19486494353331      2.16998084118913      4.85398472677070
  C   -8.65539118950672      3.05165724863671      5.82481991817473
  H   -3.29715541598457      3.96962670574550      8.62293776637156
  H   -4.23502939573891      3.07843504307007      7.40271510416084
  H   -3.38034601071399      5.98982015748377      6.94625866908602
  H   -4.91824610163457      5.49348716534512      7.73723187296483
  H   -7.99586560329221      3.90801015927614      2.78726542459175
  H   -5.71839870716059      4.90796788748549     -1.04845148032481
  H   -3.44348469772969      5.81572321992750     -1.56931411595040
  H   -1.88787895956136      6.40858845714899      0.28419956788589
  H   -2.58483163366197      6.16086291778951      2.64119070346023
  H   -2.37659635658195     -0.23608216570193      3.38032168550457
  H   -0.71236530975292     -0.40485150726532      2.80130349317894
  H   -2.14293445934015      0.59261955889357      1.09115208574571
  H   -0.90947972162089      1.79567322623542      1.59603591373034
  H   -7.80371647368372     -0.16735637609466      3.30783725321410
  H   -7.72732993830260      0.12190972990963     -1.24058673973971
  H   -6.18544777259811      1.10956275870231     -2.94961461738559
  H   -4.10139409877200      2.26764413230518     -2.20082792530805
  H   -3.54883253902984      2.41390115523368      0.19173659524988
  H   -4.58781312186530      0.07797340093758      5.40155481421777
  H   -3.87644295787441     -1.25742576748894      6.34407827634851
  H   -5.98814696958875     -0.79125369351547      7.34441143504323
  H   -4.80146692031942     -0.03500743607688      8.45879352650464
  H   -7.31771904274983      5.55711346257749      8.34213339271893
  H   -10.38991400701173      5.89396374817523      4.96176331549843
  H   -11.32712173481141      4.30677781413578      3.26874094540758
  H   -10.54066388209441      1.94309610875832      3.20607815685105
  H   -8.85848469038707      1.13719574884207      4.83000363113610
  N   -1.32237063066625      3.67642447270126      4.36490567017457
  N   -0.74567371800509      4.48113517824800      3.83428028764911
