80
Coordinates from ORCA-job /scratch/magstr/orcajob__5670588-UYlX/orca
  N   -3.32548537476555     -3.57334585603205      3.07360617288545
  C   -2.74783281208319     -4.30334043011015      1.94460963175306
  C   -2.29556704943323     -5.67694287280436      2.38725343500427
  N   -3.32936711334614     -6.28121970173074      3.26642607694263
  C   -4.56544340871844     -6.59960518576802      2.47835981446809
  C   -5.79454937583014     -6.29825133987938      3.31270381165125
  N   -5.62154661369960     -5.05475304029248      4.06109549147412
  Mo  -3.72907419467558     -4.68198158100735      4.82822805739270
  N   -2.55400391751062     -6.16978138042284      5.85950175790167
  C   -1.86255281133569     -7.14032927420826      5.02032467376660
  C   -2.81045916048395     -7.51546151847354      3.90746088638140
  H   -1.60699788077708     -8.04643481348606      5.59268141456529
  H   -0.91164105661447     -6.73998933685903      4.61906670509501
  H   -3.67130371567099     -8.04717046745921      4.33356565664636
  H   -2.33182060634110     -8.16585053438249      3.15510061981255
  H   -6.69008168311806     -6.28483055190181      2.67183315950616
  H   -5.94972987374869     -7.10440527692885      4.05472094867538
  H   -4.56360960720342     -5.98129582167254      1.57366074516874
  H   -4.53543405210007     -7.65271987788196      2.15669513185142
  H   -1.88275593129618     -3.76048397970910      1.52538984631470
  H   -3.47803468022809     -4.39285512266687      1.11985598944517
  H   -1.36397444079790     -5.60747105672557      2.96245297845034
  H   -2.11017778450714     -6.32455219007542      1.51147765126255
  C   -3.80174119541793     -2.33023340814469      2.79026624752108
  C   -3.78390240732444     -1.81266106467109      1.46150446384932
  C   -4.32849055746490     -0.58976877756603      1.12453114056220
  Cl  -4.25759508705203     -0.14985180217343     -0.55225672178452
  C   -4.93577577810171      0.25849566405224      2.10005323245381
  C   -5.61471137296636      1.52204523979360      1.80480314155781
  O   -5.68467398190162      2.08109184507881      0.70914177179994
  C   -6.30750241948557      2.34066929466110      2.90386289488533
  O   -5.82935606887853      2.61767922809207      3.98787703637148
  C   -4.90617441845980     -0.21271551630905      3.41351319636082
  C   -4.36620141388394     -1.45259625110379      3.79793885792819
  C   -4.46745765985532     -1.77579770376702      5.17354890160320
  O   -4.20561258804125     -2.92218912877510      5.67994765983632
  C   -6.59958636882201     -4.08530625737505      4.03954304197490
  C   -6.97201448879461     -3.46408778180875      5.25835374814342
  C   -7.89506822210687     -2.43966767448633      5.31083427804965
  Cl  -8.23567646231048     -1.76727126947183      6.87749296946067
  C   -8.51839707165963     -1.93385421168037      4.13510383735001
  C   -9.48183895998888     -0.83498680544497      4.09538793055836
  O   -10.15337232907563     -0.39315345356875      5.03107394203640
  C   -9.65128625649277     -0.01378478873934      2.81056163071415
  O   -8.72106047612025      0.40265547299713      2.14589318315066
  C   -8.16801559228493     -2.56274289479641      2.93300176449625
  C   -7.24920071628090     -3.60959840463768      2.84746637904461
  C   -6.81862536816583     -3.99990998047702      1.49981431429052
  O   -7.43676580151843     -3.78278079546978      0.46333523476769
  C   -2.12702591604922     -6.03305416564443      7.12816811020511
  C   -0.87853762591564     -6.54760449326744      7.58667533322723
  C   -0.43159857751710     -6.33126302282819      8.87630024085991
  Cl  1.17102836317153     -6.88962038138394      9.23168895409106
  C   -1.20465878728507     -5.63288598109565      9.85588334219700
  C   -0.79417504920878     -5.43904297423888     11.24921194139293
  O   0.07722406956725     -6.08470873619741     11.84317690145615
  C   -1.42952584526660     -4.31809990781641     12.08130507023582
  O   -2.05527665397401     -3.36155389957562     11.66423263527784
  C   -2.46675736634779     -5.19514077837798      9.42555396687757
  C   -2.93590601133768     -5.36698467780504      8.12155719522199
  C   -4.32053313199656     -5.13398233520807      7.84887951314022
  O   -4.85135792357501     -5.18893241883100      6.71737053470839
  H   -3.35656174928685     -2.39435494242999      0.65005338898246
  H   -7.24689039229302      2.80804388872903      2.52429651588936
  H   -5.33797532723901      0.40803045171448      4.19780138257750
  H   -4.84750023906387     -1.01213061203058      5.86578737545097
  H   -6.52353470399743     -3.82955097381107      6.17779487770502
  H   -10.69974166820063      0.33966300810194      2.65893401107752
  H   -8.58746689739468     -2.19935656844178      1.99287536201812
  H   -5.81255038022177     -4.47578691774813      1.45294827583872
  H   -0.21140590920879     -7.06237849977610      6.89876000627684
  H   -1.16346814378982     -4.43655388949091     13.16055303609127
  H   -3.13647231216236     -4.72767739963955     10.14661145235658
  H   -4.98141365504575     -4.96057479265962      8.71963492967896
  N   -1.62490978856176     -3.67171021341981      5.29415060548405
  H   -0.78699013791746     -4.22014934815695      5.08533402933486
  H   -1.56601546754520     -3.40584660997917      6.28219206143431
  H   -1.56476174203948     -2.80990356636432      4.74625289976768
  N   -5.45070129282168     -8.73708432584187      6.36074124082880
  N   -5.46188953073485     -9.83358748021507      6.48014607691749
