96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655532-gxlJ/orca
  N   -3.56842704568512     -3.58115129389676      2.13700234862654
  C   -3.06175758304053     -4.49288252892964      1.10422431998508
  C   -2.56962139479743     -5.76696997291509      1.77022022329011
  N   -3.52553380318106     -6.18750510109230      2.83421910915752
  C   -4.74858900393977     -6.82863109253582      2.27112342400545
  C   -5.89618497324780     -6.69117994792542      3.26130465064697
  N   -5.87606228053021     -5.33537505601471      3.81658708811516
  Mo  -4.15856900298288     -4.36598936997318      3.84347261427916
  N   -2.76159430856756     -4.94881574627445      5.11218683544215
  C   -2.02914307546233     -6.18113464973557      4.79216097203781
  C   -2.87467185612782     -7.04091878554057      3.86913786078404
  H   -1.81625403619781     -6.77135261603645      5.69643929778655
  H   -1.05202835303121     -5.94734143279835      4.32892505264047
  H   -3.67610626596158     -7.51074609630862      4.45323346956040
  H   -2.28124304408611     -7.83707014863741      3.38981314249219
  H   -6.83982410680987     -6.89214755428836      2.72754327568206
  H   -5.82131426520958     -7.45241644661252      4.06040563682383
  H   -4.99802764856696     -6.28689443111110      1.34887892466859
  H   -4.54008758471769     -7.88078835862284      2.01534069450491
  H   -2.21530230037725     -4.05176321156984      0.55534765098846
  H   -3.84470295565597     -4.71430271852403      0.35502631074351
  H   -1.60976027527417     -5.56276311795133      2.26247118074693
  H   -2.42357643152919     -6.58413070344927      1.04417470348584
  C   -3.94788993671470     -1.86277821529931      0.35287320589603
  C   -3.58433477426775     -2.14598415245455      1.81182158405971
  C   -2.26961922106462     -1.43944217654660      2.25830072723642
  C   -1.00682218996110     -2.04553060305742      1.71278408778283
  C   -0.34045295118597     -3.05370199485613      2.42738344092160
  C   0.79773809938730     -3.66810949640628      1.91039747997513
  C   1.30915963470149     -3.28504295282879      0.66286775007140
  C   2.54344749404059     -3.92467429955613      0.11601719743700
  Cl  4.04473521787271     -3.07354886429341      0.71050263338374
  C   0.65888977957396     -2.26602141919053     -0.04597051658628
  C   -0.48149627322757     -1.65438982474177      0.47252024276501
  C   -7.91296523021160     -5.65015329034007      5.23339160141260
  C   -7.17171817843094     -4.77851035550920      4.21730985168649
  C   -8.05769100495578     -4.43909983534668      2.98180386832474
  C   -9.03685478391000     -3.33900536251707      3.28573493464619
  C   -10.34175206194400     -3.60455743735312      3.72140636179080
  C   -11.20402778861930     -2.56601636250657      4.07292332726329
  C   -10.78705770580490     -1.23151383824286      3.99236765687504
  C   -11.70172066956954     -0.12081298351758      4.39171513228009
  Cl  -11.43620434413034      0.34811809159511      6.13845886446019
  C   -9.48932888214776     -0.95839071205379      3.53771211913087
  C   -8.62993081073356     -1.99779883690235      3.19151995109658
  C   -0.86025958473616     -4.31233468060950      6.61885976420918
  C   -2.36588719864544     -4.25356371560301      6.34894183236904
  C   -3.21228737916984     -4.71956678181266      7.57645253791501
  C   -3.27382374838638     -6.21084973399411      7.74419978889421
  C   -2.27161723460873     -6.92324090960569      8.41918928592895
  C   -2.27651206189134     -8.31775360963167      8.43667114378113
  C   -3.29409515575635     -9.03643749028837      7.79538821667664
  C   -3.26481284846102    -10.52788617528679      7.75156160564293
  Cl  -2.53841353403348    -11.10870643935484      6.17397372229588
  C   -4.33008901261768     -8.32736940304211      7.17218617126561
  C   -4.31723496000293     -6.93578138699883      7.14745193682062
  H   -4.89028647723711     -2.36151324305904      0.08603537194474
  H   -4.07898295079678     -0.78168963409327      0.20665191867557
  H   -3.16922821897382     -2.20207565667143     -0.34314171418712
  H   -4.38287697504505     -1.69200115523732      2.42370502670369
  H   -2.34057357030750     -0.37810968437845      1.97183711689739
  H   -2.22967491781204     -1.47992346564131      3.35899363446308
  H   -0.73277038760103     -3.36282160686333      3.39913699177910
  H   1.30780494994479     -4.44570300625545      2.48432739886976
  H   2.58731549595499     -3.87003018853062     -0.97703909040163
  H   2.65066263384531     -4.96534810138170      0.44136363888974
  H   1.05839877039780     -1.94453975953954     -1.01034005128382
  H   -0.96893048348032     -0.85668669793909     -0.09211725467885
  H   -8.84761313878453     -5.16088605094447      5.54018120111788
  H   -8.17105867789587     -6.62963771219684      4.80569415095775
  H   -7.30066424425588     -5.81348154472863      6.13126378795383
  H   -6.95705816729762     -3.81661649528463      4.70935717544971
  H   -7.38439144909815     -4.11880678914648      2.17176704315735
  H   -8.58631169807000     -5.34248302830549      2.64055458631874
  H   -10.68864301946082     -4.63853136379090      3.78183138003114
  H   -12.21681605437030     -2.79190340192993      4.41376200298606
  H   -11.52367766154149      0.79366257314709      3.81552178124717
  H   -12.75666246268634     -0.40616194959036      4.32149110873205
  H   -9.15731049537255      0.07891722427031      3.45289063965840
  H   -7.62801498778892     -1.76877562417746      2.81502743074611
  H   -0.61417229165280     -3.67226885877661      7.47726815792864
  H   -0.29374985258388     -3.94843753159790      5.75012488438092
  H   -0.51692038309233     -5.32946093772296      6.84973624239035
  H   -2.61180794295530     -3.18725217250090      6.20901619702521
  H   -4.23817576602228     -4.34068315160553      7.44186361655065
  H   -2.80108217938986     -4.23731053746040      8.47715404890476
  H   -1.47088952068026     -6.38006590455528      8.92524014130334
  H   -1.47750198951245     -8.85897987768143      8.94798118565229
  H   -4.26611493491602    -10.97067332694040      7.78646376000106
  H   -2.63741019046105    -10.95767067178034      8.53929224496808
  H   -5.14418837487628     -8.87684458056440      6.69312589279745
  H   -5.11787616888520     -6.39267422355271      6.64119861880800
  N   -4.81269263129992     -2.45576890413609      4.93160514691496
  H   -5.07896568685953     -2.63970865398403      5.90515233064648
  H   -5.62512670217727     -1.99959032365702      4.50117719184916
  H   -4.07561430230931     -1.74353435231903      4.97039476964805
