96
Coordinates from ORCA-job /scratch/magstr/orcajob__5655536-GpXh/orca
  N   -3.59738762774306     -3.59296881711027      2.21989163929391
  C   -3.09055626997679     -4.48999308192481      1.17359951986285
  C   -2.56638473166278     -5.77028187183265      1.79801422720830
  N   -3.50382206248413     -6.22790165941866      2.85295645863764
  C   -4.73138791711701     -6.84478219828459      2.29531020324321
  C   -5.84678463233063     -6.71771811223384      3.31711950902288
  N   -5.80129245570630     -5.37435715729038      3.90341788222956
  Mo  -4.12099234093482     -4.34565718607328      3.96019102066064
  N   -2.62257447559696     -4.99232691526099      5.05881361939306
  C   -1.95981656346279     -6.26232734340347      4.75065488958517
  C   -2.85709022596024     -7.10059876165740      3.86382233668669
  H   -1.75298967250757     -6.83276641416091      5.66874444092552
  H   -0.98467714490584     -6.07398935308162      4.26543876565032
  H   -3.65398887308441     -7.54083243139472      4.47695047101467
  H   -2.30107968720260     -7.91990846562601      3.37787144380221
  H   -6.80971702290246     -6.89089662849905      2.81205363506944
  H   -5.76161718829871     -7.48900923454661      4.10352623383720
  H   -5.00152274650301     -6.28102365009384      1.39246197177698
  H   -4.54268655442456     -7.89351007124194      2.00974276507374
  H   -2.26434546763812     -4.01832758341080      0.62047398909768
  H   -3.88457140796121     -4.70416741243997      0.43478279217875
  H   -1.60190054126725     -5.56108767212296      2.27916538884413
  H   -2.41350305375223     -6.55962602111475      1.04251841307853
  C   -4.01011243638019     -1.89606450662815      0.41673642531170
  C   -3.63926461011347     -2.15703247839090      1.87683270679507
  C   -2.33050131263545     -1.43642827885396      2.31187692679816
  C   -1.06202438633761     -2.02437896227518      1.75957329946484
  C   -0.37004184240011     -3.01102481255124      2.47979417962967
  C   0.77501509266274     -3.61103219634490      1.96133810385059
  C   1.26847955770597     -3.23487525084648      0.70442641642407
  C   2.50930311623010     -3.85885295259016      0.15446664411529
  Cl  4.00142358107145     -2.98303047818609      0.73651006071637
  C   0.59330422683961     -2.23674832813219     -0.01073873376724
  C   -0.55382565574054     -1.63933497445752      0.51013642093956
  C   -7.96068683644972     -5.72754787203902      5.11232314838369
  C   -7.11398403318782     -4.79431506920253      4.24656076452852
  C   -7.86234040970617     -4.32045075625273      2.97014564965573
  C   -8.91370180016487     -3.29398626439277      3.29129605046658
  C   -10.25176774177559     -3.64536896379896      3.51213850382179
  C   -11.19276316005788     -2.68307453643219      3.87821044760201
  C   -10.82186041544390     -1.34117899544928      4.02901448802417
  C   -11.82360975461129     -0.31438382105182      4.44395188283474
  Cl  -11.81039246159379     -0.08467300958929      6.25693184955501
  C   -9.48794628811561     -0.98102533613066      3.79139183477262
  C   -8.54997072116415     -1.94448113411706      3.42894552553472
  C   -0.58061536773436     -4.44120781600718      6.42542974700274
  C   -2.08352557909444     -4.24495864144787      6.22184416960397
  C   -2.90510657198502     -4.55577807632281      7.51288388422976
  C   -3.15874087071329     -6.02099660438447      7.72713759966364
  C   -2.22129554892281     -6.85672087306636      8.35160660862763
  C   -2.41266063791696     -8.23806751963113      8.39401094272495
  C   -3.55610510617194     -8.81838841900990      7.82974950285045
  C   -3.72668592172958    -10.30034958800509      7.79847564330129
  Cl  -3.20586561622782    -10.96717411872289      6.17311113416091
  C   -4.52772797336151     -7.98031794511763      7.26549135527986
  C   -4.32898907262457     -6.60383912135994      7.21534037003380
  H   -4.94528512727478     -2.41115925806904      0.15486011001937
  H   -4.16512924094392     -0.81819591837097      0.27068250547330
  H   -3.22939357845137     -2.21796333513493     -0.28511613930767
  H   -4.43338693674224     -1.71429017727535      2.49476316705530
  H   -2.42271480097221     -0.37902490552917      2.01797641333941
  H   -2.29271881951976     -1.46982375168419      3.41160586244683
  H   -0.74640298116820     -3.31164192706484      3.45994707213847
  H   1.30541677331572     -4.37054837657890      2.54124338023007
  H   2.54656785822166     -3.80930616644747     -0.93906917266194
  H   2.63384745055126     -4.89613946398805      0.48451902888353
  H   0.97871398586304     -1.91971245397763     -0.98233735439429
  H   -1.05920719036032     -0.85665273624755     -0.05967101861459
  H   -8.88015758071996     -5.21046745337826      5.41848509484862
  H   -8.25517068364459     -6.63771520521564      4.57084978265672
  H   -7.41485584868455     -6.02144209196187      6.01968145231654
  H   -6.90514584305930     -3.89432110839372      4.84033006031248
  H   -7.11201715165223     -3.87830190404087      2.29635632163886
  H   -8.30860611160426     -5.18466410947613      2.45396682373588
  H   -10.56232930738957     -4.68577476421658      3.39238317097873
  H   -12.23114452783829     -2.97584004956673      4.04869841896998
  H   -11.60529707182152      0.67366212025828      4.02436939992384
  H   -12.84810879261465     -0.60828139454907      4.19234696751505
  H   -9.18855535921650      0.06513169192625      3.88863673415630
  H   -7.51818853718138     -1.64437950177477      3.22214768716317
  H   -0.23710456485300     -3.76128693052093      7.21685621834710
  H   -0.01888871568437     -4.20305368862677      5.51146828065960
  H   -0.32658937922643     -5.46450639200107      6.73099959786116
  H   -2.24173569951205     -3.17775892058018      6.00907702639359
  H   -3.87149538763602     -4.03615757001365      7.42563874223095
  H   -2.36841904953226     -4.11744186034440      8.36833977426807
  H   -1.32313990445556     -6.42403145297608      8.79741403566029
  H   -1.66153299239196     -8.87693482504873      8.86365954378142
  H   -4.77186251468075    -10.60783419681668      7.91194830353174
  H   -3.10245235602721    -10.81112367258054      8.53885509823917
  H   -5.43993378701203     -8.41713303663978      6.85132639360289
  H   -5.08534154412808     -5.96324122389912      6.75753245231070
  N   -4.63724425641072     -2.86005035525051      4.76563450636028
  N   -5.05007112869802     -1.70450516360923      5.24435619907270
  H   -4.50590515051992     -1.33165619512948      6.02625832617136
  H   -6.06436792504918     -1.60682653219336      5.35027056357481
