97
Coordinates from ORCA-job /scratch/magstr/orcajob__5679304-JUwW/orca
  N   -3.49649303753121     -3.53846674834547      2.33564877172851
  C   -3.03484049630711     -4.46967006117627      1.29900384537132
  C   -2.51986786848438     -5.74017711019670      1.94469640323408
  N   -3.44453431751096     -6.16277137569242      3.01940006843435
  C   -4.69424213026538     -6.76669379377568      2.50203436850752
  C   -5.80547169928864     -6.56541901959896      3.52041627025155
  N   -5.76581497427921     -5.18719563102004      4.02146357625773
  Mo  -4.06329149152380     -4.21512299399744      4.10589383239285
  N   -2.63323919092053     -4.92835553335687      5.28679603459206
  C   -1.90900452626903     -6.15079658207969      4.92016322832123
  C   -2.77945130523966     -7.01499381998229      4.02763867383159
  H   -1.65441281116120     -6.73927278763552      5.81343010852863
  H   -0.95189418183075     -5.90408251851390      4.42304797422387
  H   -3.56148654262561     -7.47874166543143      4.64182019603492
  H   -2.19689638438839     -7.81937669654835      3.54489962654635
  H   -6.77019509435794     -6.77879759940689      3.03363556925336
  H   -5.70998283015062     -7.28516520128683      4.35366992205697
  H   -4.95696153335352     -6.23785638903032      1.57587454642443
  H   -4.54435062668685     -7.83392773446460      2.26190895571200
  H   -2.22310084166016     -4.03120449610733      0.69859281363488
  H   -3.85848677024650     -4.69666454343425      0.59664698070033
  H   -1.54640319412584     -5.53531196355408      2.41023497649094
  H   -2.38202974472047     -6.54354400004727      1.19978848534056
  C   -4.18550062809276     -1.99951068758160      0.46637233189810
  C   -3.64634327320575     -2.13978007792745      1.89163531748917
  C   -2.32939833394782     -1.33282917688426      2.11013258342117
  C   -1.08896550012420     -1.93672712768315      1.51294933957468
  C   -0.30468362203886     -2.82445777688599      2.26642511486831
  C   0.80905171351227     -3.44644454157779      1.70807101987650
  C   1.17827153898129     -3.18872068365883      0.38048793846375
  C   2.38661631072742     -3.83660607497233     -0.21314786862683
  Cl  3.89095872091699     -2.86510478737492      0.13730003355174
  C   0.41203260770998     -2.28525056314121     -0.36766388857687
  C   -0.70494292144773     -1.66607387785558      0.19155866927059
  C   -7.91058684177027     -5.43280448893170      5.27933284615489
  C   -7.07345309294172     -4.57982923063582      4.32638155824380
  C   -7.83728794142951     -4.22789850008592      3.02097568110266
  C   -8.93278979060095     -3.22647394788989      3.26413447715894
  C   -10.27103968094155     -3.61244121176838      3.41398774922139
  C   -11.26099632507221     -2.67040201522207      3.69404658640368
  C   -10.93935903393690     -1.31417629615896      3.82739104014667
  C   -11.99522018838056     -0.30718182470761      4.14368951371122
  Cl  -12.09909569317043     -0.00530037767506      5.94441311130067
  C   -9.60300895419519     -0.92100623983808      3.66713950439058
  C   -8.61711748500402     -1.86420866983431      3.39172763359156
  C   -0.80054926858048     -4.46834054982487      6.93540925925717
  C   -2.29126361188117     -4.35690206194891      6.60567582757112
  C   -3.21073347208503     -4.89040484122641      7.74608720821495
  C   -3.31091824778950     -6.38709479514822      7.82518504042711
  C   -2.34081997724026     -7.16578701646234      8.47468327717371
  C   -2.39713690377527     -8.55826629647424      8.43275958850454
  C   -3.43782508965394     -9.21142298999535      7.75858235044753
  C   -3.46599017777377    -10.69974951446115      7.65616645170829
  Cl  -2.72356835402826    -11.24828425139268      6.07396228292897
  C   -4.44126373725896     -8.43822182259576      7.16022822294066
  C   -4.37488254248734     -7.04764165839896      7.19152101428144
  H   -5.11982038627274     -2.56677267313777      0.35072774834820
  H   -4.40045982613550     -0.94249202568461      0.25683110664650
  H   -3.47068186492400     -2.35184738844246     -0.28873329549730
  H   -4.39754616659380     -1.67972258106431      2.55312266857502
  H   -2.48775495485668     -0.31343439782349      1.72386154930598
  H   -2.15718056512715     -1.24718110439004      3.19807609466776
  H   -0.58305783687147     -3.03633110395997      3.30163164740963
  H   1.41179383098009     -4.13110578701899      2.30944738759475
  H   2.32562214572127     -3.90273201998857     -1.30474675201768
  H   2.57490348921672     -4.82936989526729      0.21020536978240
  H   0.70066907457154     -2.05987042883668     -1.39661493017355
  H   -1.28650776290290     -0.96124421211296     -0.40646773032001
  H   -8.84026152202853     -4.90481656084327      5.53252538407553
  H   -8.18648859312562     -6.39887957159265      4.83225896447223
  H   -7.36230640696252     -5.62371777687704      6.21243364511843
  H   -6.84461679821300     -3.62871902504121      4.82795370571211
  H   -7.10348536736944     -3.80708506137476      2.31520719838978
  H   -8.25014952129467     -5.14217756664798      2.56695986908938
  H   -10.54246421101042     -4.66515861267153      3.30655092349464
  H   -12.29900628782568     -2.99017522974726      3.80977162494045
  H   -11.78423671322067      0.67137588787776      3.69878691600844
  H   -12.99335783970030     -0.64487070836184      3.84540249385745
  H   -9.34049111736044      0.13553684486219      3.75922892062200
  H   -7.57983249630386     -1.54337988330594      3.26003789169951
  H   -0.58475401455289     -3.89190540099564      7.84581889915869
  H   -0.19066831406384     -4.05790802098946      6.11766593405121
  H   -0.47962496253283     -5.50261348827747      7.11465636876110
  H   -2.51328389398059     -3.28087419157520      6.54396346478882
  H   -4.21445005786406     -4.47489311559934      7.56970981467168
  H   -2.84044179488808     -4.47425206952085      8.69676104536004
  H   -1.52750664752646     -6.67650950158429      9.01483170136613
  H   -1.62286590426628     -9.14981091166028      8.92624551349992
  H   -4.48469479081055    -11.10212662417030      7.64988638910566
  H   -2.87563142157424    -11.18523118639761      8.44022045157109
  H   -5.27291660299185     -8.93529560834913      6.65475781559079
  H   -5.15335314929054     -6.45351494717791      6.70824733263457
  N   -4.62936796073966     -2.74311354293570      5.06603168993132
  N   -4.08084103569154     -1.38865637453512      5.30135213764840
  H   -3.37346182861543     -1.08727838947858      4.60185753170559
  H   -4.85064420771947     -0.70339985636845      5.29752132813164
  H   -3.64166837534728     -1.34905072803109      6.23432817625942
