126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658505-MR5g/orca
  N   -2.38448432328014     -3.90986167265134      2.66639422154147
  C   -2.23347544103408     -5.09186975147380      1.80645615835769
  C   -2.78142070410029     -6.31447202227156      2.53259402523190
  N   -4.09258764312590     -5.99310596562000      3.16134203821445
  C   -5.19450832899341     -5.95794605662525      2.16143093541036
  C   -6.31396923660705     -5.03653794875883      2.63053446374408
  N   -5.72730206581434     -3.79589566196121      3.13333538982259
  Mo  -3.91220211921125     -3.98940545729316      3.95688346906900
  N   -3.65052034765587     -4.99285380583035      5.66873657273704
  C   -3.62499102231903     -6.44759196482024      5.55271874644686
  C   -4.40974652512147     -6.87280454706391      4.31494393887712
  H   -4.10266439046776     -6.93768503202689      6.42225667940859
  H   -2.58992830183704     -6.84889045626058      5.50528861246174
  H   -5.48357061741112     -6.75430302851931      4.51513728869413
  H   -4.22015863135776     -7.93442962378486      4.06572049034354
  H   -6.98526974853887     -4.86922926006811      1.76727872985314
  H   -6.93252930381863     -5.54942700888059      3.39768526798552
  H   -4.76785524312863     -5.55451145288181      1.23280559707804
  H   -5.56481036525865     -6.97925140784461      1.95619888039753
  H   -1.17549420498658     -5.30184620193320      1.56016810498205
  H   -2.74957416821713     -4.96924001368400      0.82912854665721
  H   -2.09767100190652     -6.58608080984922      3.34949033342648
  H   -2.86906577556416     -7.18179692602108      1.85079484052699
  C   -0.40795013418968     -2.83019683205095      1.51044932025087
  C   -1.81088723440934     -2.67479849466265      2.10945383619646
  C   -2.79537058517124     -2.02034463729391      1.12115074971207
  C   -2.49557694517551     -0.55363347073174      0.76999601637494
  C   -3.68667963184854      0.09128406169594      0.11393714799417
  C   -4.77917698721325      0.51623629291631      0.88567895525056
  C   -5.93141910294778      1.02346175718861      0.29298149465776
  C   -6.03882275090453      1.13043898284399     -1.10551972786067
  C   -7.26932552387616      1.65203797855049     -1.73790166410730
  C   -7.21177929618763      2.42685628633666     -2.91047044914842
  C   -8.37464366502033      2.91410976228110     -3.50628637951167
  C   -9.62379055184576      2.63804670576482     -2.94407122542859
  C   -9.69718103152183      1.86915501169298     -1.77960565562934
  C   -8.53414611997287      1.38208219405231     -1.18413835492724
  C   -4.93940952644549      0.71858215900172     -1.87809265794817
  C   -3.78876375813035      0.20825028498688     -1.27859871664235
  C   -7.49979441701222     -2.33731986805515      2.11348196631948
  C   -6.66300990736197     -2.69145331754905      3.34990740095092
  C   -7.56868918808759     -2.93257859823365      4.57918084047325
  C   -6.77356868724955     -2.99412327497522      5.89294789159379
  C   -7.35990872955732     -3.87452937566305      6.95461007006038
  C   -7.57282124784956     -5.24369953359094      6.71059024287350
  C   -8.11361986998939     -6.07955393347145      7.68072625234716
  C   -8.46698089597420     -5.59190007858687      8.95480645198092
  C   -9.09009630057125     -6.46881798783646      9.96672212809868
  C   -8.84387438026330     -7.85496404129362      9.98457985643657
  C   -9.44184884295359     -8.68280241231089     10.93247629230597
  C   -10.30560597226866     -8.15024696148081     11.89226917200557
  C   -10.56350553096951     -6.77737316811240     11.88911696665758
  C   -9.96655195620555     -5.94938724302849     10.94012701177546
  C   -8.22120285475455     -4.22945207978756      9.20982174977249
  C   -7.68333376257513     -3.39433761463225      8.23228510695635
  C   -1.57659621842405     -4.55209855602700      6.99977610122680
  C   -3.10677245160652     -4.43705524572183      6.91241344890444
  C   -3.83211433183503     -4.95359132998177      8.18570850068018
  C   -3.17667802322209     -6.11979363855155      8.94892198274930
  C   -4.05774105374848     -6.60214000446492     10.07060714283018
  C   -4.22340729218211     -5.84081663857053     11.23721947198567
  C   -5.07825607959885     -6.25663600034480     12.25447338962501
  C   -5.79761953751098     -7.46038656451305     12.15053242194435
  C   -6.71570759000049     -7.89810139425285     13.22320775547352
  C   -6.87289585443236     -9.26083666675563     13.53201302785693
  C   -7.75055769645050     -9.67357931921590     14.53366396685291
  C   -8.49158562290796     -8.73150756669864     15.25188740666138
  C   -8.34458813090274     -7.37403676161054     14.95711086190497
  C   -7.46745167112581     -6.96277627609599     13.95486671248100
  C   -5.62117853419577     -8.22817715521583     10.98799436889964
  C   -4.77436005555349     -7.80145274693651      9.96689060081307
  H   0.26198115881793     -3.34171383688215      2.21733016591848
  H   0.02579782495795     -1.84455163590200      1.28578998097453
  H   -0.42419799841689     -3.40529864076218      0.57245867656984
  H   -1.71106898200312     -1.97544257266855      2.96016673967015
  H   -3.79615958115687     -2.07193104788712      1.58324535588925
  H   -2.85673850192463     -2.61534581198363      0.19419452036731
  H   -1.61550428787027     -0.48172749596555      0.11285103743426
  H   -2.24639360934489     -0.01194968679185      1.70013912835301
  H   -4.72340898564036      0.44881108665271      1.97616266433547
  H   -6.75616898313954      1.36346114908205      0.92212373108049
  H   -6.24030025939783      2.66997543102102     -3.34489909461510
  H   -8.30446131892049      3.52073314012528     -4.41116898003230
  H   -10.53374494608681      3.01896317739271     -3.41059510729360
  H   -10.66800612026864      1.63862271532164     -1.33680375587528
  H   -8.60529000844696      0.75970113891216     -0.28993223581464
  H   -4.99891581953348      0.77185703829397     -2.96685859297082
  H   -2.95574442283473     -0.12132176412012     -1.90474898530644
  H   -8.25699355535592     -3.10555075552659      1.89683506677231
  H   -6.85760282868622     -2.22217333248533      1.22830605914875
  H   -8.03286291471965     -1.38864278701994      2.27687132299656
  H   -6.03840250436439     -1.80755064768474      3.57442088325815
  H   -8.11438573533312     -3.87750852354376      4.42763114997136
  H   -8.33582440397265     -2.14265463755616      4.63596756440557
  H   -6.63346771843849     -1.97640869633534      6.29367827992698
  H   -5.75730723508436     -3.38256599813318      5.63414299398994
  H   -7.31485016141086     -5.65743381059161      5.73243419474711
  H   -8.29563520330357     -7.12775079812486      7.43658518228388
  H   -8.14569016117099     -8.28366154034391      9.26485778303490
  H   -9.21676624161768     -9.75107891421439     10.93478889582790
  H   -10.76028108165902     -8.79607142857341     12.64455106720605
  H   -11.23891331736454     -6.34698946360229     12.63119628899899
  H   -10.20247263379451     -4.88385620818531     10.93594705921443
  H   -8.44328618398776     -3.81910050995342     10.19645298325014
  H   -7.50830720120272     -2.34037244359901      8.46485905676707
  H   -1.12112941480488     -4.08102736786173      6.11622789104505
  H   -1.18708074900393     -4.05492638142374      7.90205151812987
  H   -1.24698433021150     -5.60041035876949      7.02919904011900
  H   -3.34122990988921     -3.36052134457622      6.86100879973639
  H   -3.93489233893168     -4.11295785016817      8.89113836283952
  H   -4.85993082370959     -5.23167766670107      7.90387531565931
  H   -2.20798397381622     -5.78923516017606      9.35706422078737
  H   -2.96095309072140     -6.95875755827954      8.27101418803839
  H   -3.66531555261788     -4.90790680189213     11.35132094733292
  H   -5.17187372064964     -5.65372192195688     13.15973321042231
  H   -6.28357187209978    -10.00319955351585     12.99057000582564
  H   -7.85112113622919    -10.73681199686134     14.76033052735268
  H   -9.17999086246308     -9.05362804349401     16.03512999951781
  H   -8.92979351199434     -6.63010006722301     15.50106165573623
  H   -7.38963382772884     -5.90280823661254     13.70731746685446
  H   -6.18295680368136     -9.15592648161346     10.87085915721864
  H   -4.66807037173011     -8.40828990445404      9.06398835353222
  N   -3.63207267504965     -1.82700170960627      4.73916386908339
  H   -4.20839946719511     -1.56390580566259      5.54661659285217
  H   -3.86345414790052     -1.15785841591683      3.99788568536399
  H   -2.66143145493750     -1.62496387448238      4.99913253006813
