74
Coordinates from ORCA-job orca
  N   -3.14734670232790     -4.35793126362435      1.74487046949958
  C   -3.60156218228685     -5.32884743158886      0.75536924936035
  C   -3.68369072379167     -6.70691124356083      1.43154986460594
  N   -2.83368731722379     -6.65195812834682      2.64371634610097
  C   -3.01198961328936     -7.80402791251427      3.55668078601543
  C   -4.38807439541756     -7.72073092039625      4.19240709440067
  N   -4.79988986614344     -6.32155742896360      4.17683887408540
  Mo  -3.54440500382176     -4.78992784278642      3.73068188125007
  N   -1.60888213856455     -5.22611783916580      4.33160241796668
  C   -0.63932108852075     -5.82076787661332      3.42284489984044
  C   -1.39697116551766     -6.50415385543871      2.28143910805041
  H   -0.01928047229640     -6.54490841719805      3.97539913859862
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  H   -0.98508300674861     -7.50140184785247      2.05882280370179
  H   -1.33291266017244     -5.90563650223464      1.36943719683306
  H   -5.12767234966816     -8.32560090417498      3.64052643039621
  H   -4.34817302626697     -8.11164313913190      5.22216326723753
  H   -2.86550964778700     -8.74850659976674      3.00757905193220
  H   -2.22933378809992     -7.72118020174064      4.32038113855061
  H   -2.90801721922814     -5.36914716577315     -0.09739763408341
  H   -4.58953148169488     -5.03472168225294      0.36429816257817
  H   -3.33969314831624     -7.51008333046022      0.75839369014147
  H   -4.70699655088046     -6.92987982811814      1.75085255040661
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  C   -2.08060507797914     -2.94271764408141      0.02151258991817
  C   -1.48632180335937     -1.72539787111479     -0.24514618229460
  C   -1.28586205179378     -0.77182910056529      0.78045431075610
  C   -1.62308780171105     -1.07253624976008      2.08279159155947
  C   -2.14949546219626     -2.34549608296788      2.40265962562938
  N   -2.54751802430576     -2.73646234366330      3.65528363381150
  C   -2.11818939188148     -2.10465923641002      4.75735711898098
  C   -0.84610202708392     -1.51200457269992      5.05735931146975
  O   -0.58306722177457     -0.80528730397317      6.00261075703327
  Cl  0.57818311492567     -2.07980632621364      3.99381672894176
  C   -6.07362178741033     -6.03853604952190      4.58529558728287
  C   -6.95839907780398     -6.95640149070862      5.18957657998277
  C   -8.22208542937647     -6.54127553941934      5.57933895946093
  C   -8.62373598308890     -5.21200633583720      5.36955677952122
  C   -7.77405385952718     -4.29993470009335      4.75838351917368
  C   -6.48712655641029     -4.69743912110674      4.34161348912278
  N   -5.54723518458751     -3.92041549563339      3.65959158852634
  C   -5.93299014773955     -2.61697838977634      3.45373324521107
  C   -5.49031052461018     -1.79723948234216      2.37191158655201
  O   -4.87180853577688     -1.99380282612420      1.36159472433527
  Cl  -6.34272093161467     -0.10917989730475      2.57138338665039
  C   -1.20766690733955     -4.88025378666844      5.57446717344972
  C   0.11584921028322     -4.93562044774981      6.08698404657415
  C   0.35500582306382     -4.55328529863508      7.39037598894085
  C   -0.69802282099377     -4.09140608481316      8.22072037315861
  C   -1.99228499736529     -4.03372381229790      7.75103739305710
  C   -2.27239799575229     -4.43915053847254      6.42510878781133
  N   -3.50190472742609     -4.42187497789776      5.83991707508056
  C   -4.64382285820680     -4.33854833103317      6.60530817936504
  C   -4.87394521999397     -5.21696029344134      7.68427940316570
  O   -4.24570544732727     -6.16103476018278      8.12072636929016
  Cl  -6.50484918818771     -4.77389935454851      8.51570137550418
  H   -2.29969357094386     -3.62478089515555     -0.79828157569179
  H   -1.21370631812500     -1.47602555560232     -1.27198249881341
  H   -0.89046593893766      0.21431329472018      0.53562240099778
  H   -1.51627822913806     -0.32652955319661      2.86904427786893
  H   -2.77691055424564     -2.12473281744414      5.62423330994640
  H   -6.63625671077351     -7.97824277025771      5.38511701638271
  H   -8.89582363831998     -7.24376614486880      6.07078852782330
  H   -9.61242974714960     -4.88607138864231      5.69488725136062
  H   -8.12010021847830     -3.28034771610486      4.60151382964775
  H   -6.51590315130701     -2.10854537487307      4.22238506625090
  H   0.94130915523986     -5.23999177660898      5.44543527337516
  H   1.37428746386821     -4.57326657545385      7.77845355929077
  H   -0.47402978432397     -3.75202823941135      9.23267328980995
  H   -2.80568353276477     -3.65893567542789      8.37194454087968
  H   -5.44542063851569     -3.68402503567411      6.28180270530992
  N   -7.91703598044880     -3.82807347248483      1.51085190789486
  N   -7.67724714479752     -2.82883230546821      2.03228699065484
  H   -8.11963749259320     -1.86928812477848      1.95971739923526
