74
Coordinates from ORCA-job orca E -7298.678455241997
  N      -3.299990     -4.104629      1.780195
  C      -3.805971     -4.923889      0.696654
  C      -4.047198     -6.320856      1.264270
  N      -3.179782     -6.455892      2.441457
  C      -3.472423     -7.712695      3.169925
  C      -4.047856     -7.352752      4.542140
  N      -4.658109     -6.052812      4.369625
  Mo     -3.595202     -4.570232      3.642811
  N      -1.859007     -5.276228      4.195996
  C      -0.974374     -6.036384      3.330942
  C      -1.752913     -6.408094      2.069950
  H      -0.641960     -6.934242      3.864955
  H      -0.094407     -5.434414      3.076987
  H      -1.427249     -7.377057      1.678720
  H      -1.577574     -5.661649      1.293727
  H      -4.771792     -8.105491      4.856570
  H      -3.265696     -7.289772      5.311740
  H      -4.208491     -8.291244      2.606606
  H      -2.573189     -8.318592      3.282136
  H      -3.094947     -4.962130     -0.134012
  H      -4.733514     -4.471227      0.325605
  H      -3.813416     -7.090374      0.519731
  H      -5.088489     -6.437036      1.586035
  C      -2.684486     -2.951328      1.427320
  C      -2.383500     -2.492724      0.129391
  C      -1.766638     -1.277312     -0.038991
  C      -1.465885     -0.462349      1.058583
  C      -1.749645     -0.882868      2.334449
  C      -2.315720     -2.152338      2.541662
  N      -2.714241     -2.643529      3.748529
  C      -2.208023     -2.084639      4.856416
  C      -0.859435     -1.720137      5.069671
  O      -0.379068     -1.064248      5.960904
  Cl      0.283872     -2.552045      3.950826
  C      -5.918643     -5.829973      4.810057
  C      -6.736010     -6.674983      5.579240
  C      -8.020413     -6.287734      5.882295
  C      -8.534345     -5.074283      5.419524
  C      -7.746495     -4.216940      4.685565
  C      -6.420284     -4.567983      4.397857
  N      -5.522678     -3.818240      3.666224
  C      -5.802201     -2.512325      3.541144
  C      -5.398691     -1.741090      2.431255
  O      -5.007640     -2.090636      1.348001
  Cl     -5.633406      0.024200      2.736555
  C      -1.441755     -5.112685      5.469058
  C      -0.170902     -5.439020      5.985639
  C       0.128735     -5.152284      7.292352
  C      -0.802601     -4.508061      8.120244
  C      -2.051452     -4.198174      7.652830
  C      -2.415018     -4.538626      6.334732
  N      -3.605301     -4.253288      5.746051
  C      -4.668710     -3.915364      6.484581
  C      -4.999503     -4.499897      7.734761
  O      -4.572023     -5.461593      8.310211
  Cl     -6.441770     -3.651290      8.442770
  H      -2.655799     -3.064241     -0.741288
  H      -1.539946     -0.926673     -1.033690
  H      -1.029768      0.511791      0.900591
  H      -1.571633     -0.234903      3.180755
  H      -2.861130     -1.933994      5.717978
  H      -6.367494     -7.617258      5.949393
  H      -8.644805     -6.936482      6.476619
  H      -9.556260     -4.807456      5.637750
  H      -8.161533     -3.296931      4.305485
  H      -6.442411     -2.024602      4.268364
  H       0.584869     -5.871797      5.352651
  H       1.106249     -5.389709      7.682103
  H      -0.523285     -4.234590      9.125438
  H      -2.748483     -3.655222      8.269629
  H      -5.370178     -3.204046      6.080453
  N      -5.018756     -5.389362      2.286559
  H      -5.785815     -6.025050      2.531911
  H      -5.054893     -5.215842      1.275984
74
Coordinates from ORCA-job orca E -7298.745560430260
  N      -3.278227     -4.097218      1.744193
  C      -3.774830     -4.913524      0.646880
  C      -4.027695     -6.341039      1.223892
  N      -3.162295     -6.476296      2.424000
  C      -3.459680     -7.732233      3.170548
  C      -4.042954     -7.362424      4.549584
  N      -4.670386     -6.063560      4.383359
  Mo     -3.596633     -4.572310      3.630893
  N      -1.849807     -5.290160      4.194269
  C      -0.962592     -6.056166      3.328208
  C      -1.729481     -6.430123      2.060337
  H      -0.633863     -6.956295      3.865569
  H      -0.078197     -5.455499      3.077509
  H      -1.399134     -7.402166      1.674483
  H      -1.551021     -5.686147      1.281333
  H      -4.763180     -8.118729      4.871798
  H      -3.253788     -7.294589      5.313183
  H      -4.192806     -8.320228      2.608340
  H      -2.555340     -8.334184      3.290162
  H      -3.050486     -4.954785     -0.176367
  H      -4.693160     -4.447424      0.255151
  H      -3.780007     -7.120907      0.478027
  H      -5.101321     -6.469084      1.538681
  C      -2.648572     -2.941058      1.395688
  C      -2.333122     -2.488918      0.097424
  C      -1.710161     -1.271103     -0.070612
  C      -1.419715     -0.452257      1.030694
  C      -1.719491     -0.871818      2.308088
  C      -2.291457     -2.142178      2.513698
  N      -2.700928     -2.637299      3.728185
  C      -2.191245     -2.078699      4.849843
  C      -0.839870     -1.713825      5.092724
  O      -0.389388     -1.057321      6.006074
  Cl      0.355002     -2.531166      3.996229
  C      -5.930507     -5.834203      4.833319
  C      -6.741686     -6.680546      5.613480
  C      -8.028697     -6.293467      5.929287
  C      -8.549612     -5.078505      5.468443
  C      -7.765211     -4.219218      4.722872
  C      -6.439868     -4.568359      4.423103
  N      -5.549958     -3.802139      3.673418
  C      -5.871455     -2.492641      3.556524
  C      -5.536217     -1.688438      2.444562
  O      -5.178287     -2.006960      1.332526
  Cl     -5.832171      0.067311      2.790982
  C      -1.434466     -5.124782      5.478380
  C      -0.164356     -5.457656      5.996003
  C       0.138511     -5.170382      7.308569
  C      -0.792622     -4.520121      8.135131
  C      -2.044950     -4.203815      7.662493
  C      -2.409504     -4.544009      6.342832
  N      -3.609850     -4.250418      5.747690
  C      -4.682915     -3.902746      6.484745
  C      -5.029904     -4.486040      7.735187
  O      -4.607380     -5.456751      8.316221
  Cl     -6.476115     -3.620359      8.437766
  H      -2.600511     -3.066586     -0.776636
  H      -1.472098     -0.923286     -1.068643
  H      -0.978224      0.524676      0.875151
  H      -1.547695     -0.220891      3.157309
  H      -2.853694     -1.929993      5.703883
  H      -6.365621     -7.625160      5.983102
  H      -8.648572     -6.945018      6.533388
  H      -9.573698     -4.810451      5.696693
  H      -8.185056     -3.295971      4.343649
  H      -6.512206     -2.035049      4.305552
  H       0.591972     -5.896232      5.359676
  H       1.118965     -5.413116      7.700307
  H      -0.513028     -4.245410      9.144764
  H      -2.742685     -3.655237      8.280281
  H      -5.378593     -3.185443      6.074007
  N      -5.047926     -5.375444      2.264622
  H      -5.826716     -6.002223      2.518025
  H      -5.080057     -5.192032      1.238429
74
Coordinates from ORCA-job orca E -7298.794777007345
  N      -3.267666     -4.085523      1.710132
  C      -3.755090     -4.903944      0.605746
  C      -4.011125     -6.359974      1.188898
  N      -3.149762     -6.493511      2.408186
  C      -3.450193     -7.748132      3.170993
  C      -4.042139     -7.374864      4.556172
  N      -4.689126     -6.080644      4.400037
  Mo     -3.605189     -4.574865      3.623330
  N      -1.843631     -5.302246      4.195751
  C      -0.955011     -6.070148      3.326486
  C      -1.712385     -6.444894      2.052457
  H      -0.627205     -6.972513      3.864637
  H      -0.067870     -5.468970      3.078523
  H      -1.376072     -7.418487      1.670315
  H      -1.534593     -5.701664      1.271537
  H      -4.756739     -8.137679      4.882631
  H      -3.246686     -7.302811      5.313802
  H      -4.178738     -8.344775      2.608320
  H      -2.539907     -8.343755      3.296675
  H      -3.020451     -4.947402     -0.210886
  H      -4.666451     -4.430481      0.196508
  H      -3.748465     -7.146873      0.445157
  H      -5.108604     -6.503924      1.495730
  C      -2.630982     -2.923573      1.368990
  C      -2.307874     -2.471453      0.072224
  C      -1.684458     -1.247616     -0.091784
  C      -1.404030     -0.428944      1.015294
  C      -1.714207     -0.853769      2.292988
  C      -2.285801     -2.126791      2.492139
  N      -2.700349     -2.629583      3.711594
  C      -2.187302     -2.070862      4.842485
  C      -0.835905     -1.700794      5.100016
  O      -0.408148     -1.043697      6.028303
  Cl      0.393198     -2.495785      4.004866
  C      -5.949139     -5.841758      4.854426
  C      -6.757059     -6.688308      5.642271
  C      -8.046548     -6.300742      5.966165
  C      -8.572680     -5.084322      5.506148
  C      -7.790150     -4.223322      4.751957
  C      -6.465882     -4.570855      4.444161
  N      -5.577553     -3.791500      3.681683
  C      -5.901690     -2.478253      3.562101
  C      -5.556841     -1.688062      2.440500
  O      -5.187248     -2.026520      1.330780
  Cl     -5.846437      0.080121      2.766821
  C      -1.430830     -5.134764      5.489172
  C      -0.161310     -5.472127      6.005305
  C       0.145619     -5.184650      7.323078
  C      -0.785173     -4.531068      8.149078
  C      -2.041524     -4.210361      7.672705
  C      -2.406377     -4.549746      6.353162
  N      -3.616669     -4.249097      5.756002
  C      -4.691608     -3.894196      6.498514
  C      -5.041232     -4.479046      7.749834
  O      -4.616263     -5.457052      8.329225
  Cl     -6.485298     -3.600080      8.462741
  H      -2.570100     -3.052251     -0.805943
  H      -1.439832     -0.897831     -1.091478
  H      -0.961882      0.552351      0.865279
  H      -1.548970     -0.203365      3.147292
  H      -2.853592     -1.928539      5.693828
  H      -6.375152     -7.634586      6.012078
  H      -8.663288     -6.954510      6.577468
  H      -9.598531     -4.814972      5.741292
  H      -8.213352     -3.297605      4.373303
  H      -6.544598     -2.017248      4.309191
  H       0.594642     -5.914372      5.364793
  H       1.129062     -5.431118      7.714885
  H      -0.505602     -4.255501      9.162300
  H      -2.740359     -3.658555      8.292076
  H      -5.384453     -3.171084      6.088477
  N      -5.084636     -5.358989      2.249858
  H      -5.870701     -5.975521      2.512637
  H      -5.116302     -5.167497      1.217737
74
Coordinates from ORCA-job orca E -7298.832978222051
  N      -3.251560     -4.076764      1.678159
  C      -3.728324     -4.900393      0.572327
  C      -3.988031     -6.376491      1.157102
  N      -3.137879     -6.506608      2.390907
  C      -3.443792     -7.756703      3.168357
  C      -4.043067     -7.382059      4.556889
  N      -4.705713     -6.094446      4.412436
  Mo     -3.612987     -4.576132      3.613060
  N      -1.839107     -5.311898      4.196013
  C      -0.949303     -6.080374      3.325891
  C      -1.697223     -6.455230      2.045901
  H      -0.622730     -6.984368      3.864529
  H      -0.059466     -5.479354      3.081474
  H      -1.355320     -7.429855      1.667810
  H      -1.520000     -5.712531      1.263700
  H      -4.752151     -8.151156      4.886070
  H      -3.241869     -7.307574      5.308626
  H      -4.167050     -8.359880      2.603872
  H      -2.529311     -8.346567      3.301060
  H      -2.982963     -4.949780     -0.235595
  H      -4.630498     -4.421968      0.144720
  H      -3.709766     -7.167900      0.419803
  H      -5.098912     -6.535415      1.452428
  C      -2.606849     -2.914085      1.346267
  C      -2.270850     -2.464282      0.052194
  C      -1.646180     -1.237194     -0.106325
  C      -1.378723     -0.417433      1.005071
  C      -1.703067     -0.843568      2.281206
  C      -2.275780     -2.117052      2.473582
  N      -2.697145     -2.624149      3.693290
  C      -2.183282     -2.068942      4.830409
  C      -0.832653     -1.700121      5.100510
  O      -0.421918     -1.047150      6.040062
  Cl      0.419644     -2.482081      4.005742
  C      -5.961150     -5.846199      4.871729
  C      -6.763987     -6.693328      5.666302
  C      -8.053043     -6.306008      6.001635
  C      -8.583979     -5.088112      5.547241
  C      -7.805242     -4.225719      4.785832
  C      -6.484429     -4.571869      4.467090
  N      -5.605181     -3.780008      3.693522
  C      -5.943000     -2.468143      3.577941
  C      -5.617067     -1.679106      2.448771
  O      -5.259827     -2.020291      1.333970
  Cl     -5.921834      0.092406      2.774197
  C      -1.432016     -5.142102      5.495437
  C      -0.164491     -5.483590      6.011404
  C       0.144394     -5.195300      7.332388
  C      -0.785841     -4.538233      8.155920
  C      -2.043797     -4.213474      7.675588
  C      -2.407478     -4.552571      6.357196
  N      -3.623352     -4.245218      5.758958
  C      -4.697474     -3.882605      6.503683
  C      -5.051018     -4.468575      7.753953
  O      -4.627087     -5.450621      8.331237
  Cl     -6.491913     -3.575713      8.474364
  H      -2.524986     -3.048096     -0.828957
  H      -1.391570     -0.887712     -1.105895
  H      -0.934946      0.566074      0.860301
  H      -1.546198     -0.192963      3.138883
  H      -2.853254     -1.931632      5.678984
  H      -6.376027     -7.640919      6.032638
  H      -8.664654     -6.962215      6.619161
  H      -9.609332     -4.817402      5.791847
  H      -8.231057     -3.297193      4.411148
  H      -6.585444     -2.016021      4.331874
  H       0.590727     -5.929342      5.368909
  H       1.129081     -5.445029      7.724641
  H      -0.507711     -4.261518      9.171415
  H      -2.742921     -3.658634      8.295113
  H      -5.385908     -3.153949      6.093123
  N      -5.116408     -5.336602      2.235975
  H      -5.907814     -5.940176      2.506784
  H      -5.147436     -5.140631      1.207307
74
Coordinates from ORCA-job orca E -7298.864204472836
  N      -3.238700     -4.069891      1.651673
  C      -3.703646     -4.901176      0.546709
  C      -3.963553     -6.390736      1.130059
  N      -3.128152     -6.516394      2.374339
  C      -3.439715     -7.760738      3.164255
  C      -4.045066     -7.386957      4.554398
  N      -4.720491     -6.106334      4.422291
  Mo     -3.622958     -4.577389      3.603047
  N      -1.838776     -5.319234      4.195423
  C      -0.946912     -6.086584      3.326272
  C      -1.685114     -6.461003      2.041174
  H      -0.621041     -6.991704      3.865051
  H      -0.054824     -5.485541      3.086055
  H      -1.337583     -7.435979      1.666635
  H      -1.508386     -5.718296      1.258656
  H      -4.748146     -8.162835      4.884497
  H      -3.239039     -7.311132      5.301161
  H      -4.157202     -8.369068      2.596852
  H      -2.522078     -8.345383      3.304046
  H      -2.948295     -4.957333     -0.252452
  H      -4.597083     -4.421704      0.101688
  H      -3.668832     -7.184231      0.400414
  H      -5.078007     -6.564338      1.413459
  C      -2.589852     -2.908187      1.328654
  C      -2.242559     -2.460010      0.036855
  C      -1.619937     -1.229810     -0.116444
  C      -1.366012     -0.407831      0.997866
  C      -1.702019     -0.833999      2.271894
  C      -2.273207     -2.108801      2.458897
  N      -2.698315     -2.619647      3.676601
  C      -2.184859     -2.068933      4.817717
  C      -0.835433     -1.699820      5.097197
  O      -0.437268     -1.052411      6.045153
  Cl      0.434205     -2.466986      3.998191
  C      -5.970385     -5.849622      4.885953
  C      -6.768657     -6.697977      5.685895
  C      -8.055877     -6.311854      6.032400
  C      -8.591286     -5.092366      5.585257
  C      -7.817425     -4.228241      4.818733
  C      -6.499434     -4.572181      4.488768
  N      -5.629862     -3.770445      3.708068
  C      -5.969220     -2.459271      3.594115
  C      -5.641474     -1.678426      2.458639
  O      -5.281890     -2.028261      1.347382
  Cl     -5.943515      0.100431      2.775101
  C      -1.437740     -5.147822      5.498276
  C      -0.171870     -5.492811      6.014368
  C       0.138443     -5.203980      7.337070
  C      -0.790919     -4.544340      8.158523
  C      -2.049444     -4.216328      7.675481
  C      -2.412339     -4.554852      6.358132
  N      -3.631352     -4.241765      5.760282
  C      -4.702790     -3.872558      6.506977
  C      -5.059180     -4.460678      7.755906
  O      -4.637250     -5.444917      8.330679
  Cl     -6.495857     -3.554760      8.483866
  H      -2.487636     -3.047047     -0.846250
  H      -1.356949     -0.880709     -1.115339
  H      -0.923011      0.577875      0.857016
  H      -1.553958     -0.182391      3.131543
  H      -2.857321     -1.938549      5.664918
  H      -6.375194     -7.646589      6.047458
  H      -8.662003     -6.970807      6.654642
  H      -9.615373     -4.820971      5.839346
  H      -8.246072     -3.297465      4.449706
  H      -6.611733     -2.007830      4.348904
  H       0.582447     -5.941103      5.370573
  H       1.123882     -5.456269      7.729150
  H      -0.514251     -4.266827      9.175509
  H      -2.748179     -3.659441      8.295432
  H      -5.386867     -3.138760      6.096937
  N      -5.147023     -5.311771      2.227717
  H      -5.941987     -5.902451      2.506181
  H      -5.179084     -5.113301      1.207564
74
Coordinates from ORCA-job orca E -7298.890774351409
  N      -3.226174     -4.065944      1.628694
  C      -3.677966     -4.906853      0.525755
  C      -3.936371     -6.402706      1.105295
  N      -3.119270     -6.523175      2.357464
  C      -3.437112     -7.760998      3.157664
  C      -4.047361     -7.389705      4.548024
  N      -4.732592     -6.115692      4.428566
  Mo     -3.634027     -4.578526      3.591551
  N      -1.841794     -5.324681      4.193473
  C      -0.946403     -6.089862      3.327597
  C      -1.674257     -6.463196      2.037753
  H      -0.621368     -6.995715      3.866600
  H      -0.052109     -5.488874      3.092702
  H      -1.321282     -7.438090      1.666408
  H      -1.497162     -5.720056      1.255783
  H      -4.744244     -8.172479      4.877824
  H      -3.237285     -7.313488      5.290581
  H      -4.148436     -8.373265      2.586349
  H      -2.517439     -8.341237      3.304898
  H      -2.912497     -4.970907     -0.263645
  H      -4.562787     -4.429385      0.063362
  H      -3.624239     -7.195985      0.384219
  H      -5.045312     -6.589324      1.375873
  C      -2.574601     -2.907068      1.313851
  C      -2.214971     -2.461007      0.024046
  C      -1.595563     -1.228565     -0.124353
  C      -1.356115     -0.402796      0.991605
  C      -1.703694     -0.826955      2.263000
  C      -2.272925     -2.103200      2.445882
  N      -2.701154     -2.616150      3.659844
  C      -2.189018     -2.070370      4.803137
  C      -0.840616     -1.701396      5.089075
  O      -0.449612     -1.060791      6.043118
  Cl      0.439362     -2.456779      3.983087
  C      -5.975952     -5.851840      4.897795
  C      -6.769522     -6.702237      5.702398
  C      -8.053208     -6.317511      6.061842
  C      -8.592362     -5.095280      5.624844
  C      -7.824428     -4.229051      4.854714
  C      -6.509404     -4.570963      4.511441
  N      -5.651946     -3.761468      3.726343
  C      -5.989435     -2.450605      3.615613
  C      -5.660970     -1.676495      2.474843
  O      -5.303258     -2.031474      1.365779
  Cl     -5.958360      0.108721      2.786788
  C      -1.447597     -5.152179      5.498259
  C      -0.183335     -5.500031      6.016065
  C       0.126849     -5.210679      7.339620
  C      -0.802220     -4.549099      8.158732
  C      -2.060176     -4.218684      7.672884
  C      -2.421559     -4.556579      6.355976
  N      -3.641301     -4.238409      5.758668
  C      -4.709108     -3.863415      6.506648
  C      -5.068194     -4.454540      7.754037
  O      -4.649372     -5.439967      8.326563
  Cl     -6.500484     -3.536694      8.488128
  H      -2.449720     -3.051721     -0.860055
  H      -1.323862     -0.880725     -1.122009
  H      -0.914674      0.584559      0.853388
  H      -1.565161     -0.173425      3.123337
  H      -2.862812     -1.947132      5.649974
  H      -6.371127     -7.652165      6.056900
  H      -8.653346     -6.979440      6.687784
  H      -9.614010     -4.823153      5.889957
  H      -8.255455     -3.295545      4.493895
  H      -6.629784     -1.998820      4.372334
  H       0.570630     -5.950091      5.372317
  H       1.112343     -5.464789      7.731919
  H      -0.527793     -4.270940      9.176750
  H      -2.758597     -3.660494      8.292803
  H      -5.388820     -3.124850      6.097684
  N      -5.174642     -5.285606      2.221251
  H      -5.972079     -5.863921      2.506221
  H      -5.207848     -5.085884      1.211645
74
Coordinates from ORCA-job orca E -7298.913659614129
  N      -3.214969     -4.065050      1.608456
  C      -3.652201     -4.916808      0.507679
  C      -3.907846     -6.412415      1.081989
  N      -3.111134     -6.527709      2.340813
  C      -3.435845     -7.758934      3.149179
  C      -4.050136     -7.391388      4.538773
  N      -4.742561     -6.122931      4.431795
  Mo     -3.646484     -4.579932      3.578738
  N      -1.847851     -5.328709      4.190442
  C      -0.947211     -6.091226      3.330154
  C      -1.664080     -6.463009      2.035913
  H      -0.623203     -6.997469      3.869747
  H      -0.050670     -5.490377      3.101598
  H      -1.305954     -7.437547      1.667274
  H      -1.485472     -5.719011      1.255335
  H      -4.740833     -8.181091      4.867116
  H      -3.236971     -7.315572      5.278180
  H      -4.140886     -8.374106      2.573173
  H      -2.515169     -8.335868      3.304043
  H      -2.876260     -4.989363     -0.270997
  H      -4.528884     -4.444162      0.027657
  H      -3.577419     -7.203505      0.369435
  H      -5.004898     -6.610149      1.339385
  C      -2.561974     -2.909582      1.300610
  C      -2.189853     -2.465865      0.012425
  C      -1.575057     -1.231338     -0.131929
  C      -1.350811     -0.400395      0.984475
  C      -1.709357     -0.821365      2.253144
  C      -2.275648     -2.099567      2.433379
  N      -2.706168     -2.613657      3.643275
  C      -2.196064     -2.072800      4.788055
  C      -0.848527     -1.703951      5.079246
  O      -0.461177     -1.070730      6.038284
  Cl      0.437987     -2.449612      3.965718
  C      -5.979302     -5.853618      4.907621
  C      -6.768290     -6.707097      5.715788
  C      -8.047470     -6.324080      6.089051
  C      -8.589700     -5.097996      5.664335
  C      -7.828257     -4.228969      4.892292
  C      -6.515790     -4.568642      4.534613
  N      -5.671225     -3.753029      3.747940
  C      -6.002841     -2.441617      3.640851
  C      -5.669309     -1.673260      2.496853
  O      -5.310148     -2.030958      1.390552
  Cl     -5.958147      0.118095      2.807250
  C      -1.460563     -5.155381      5.496131
  C      -0.197582     -5.505541      6.016713
  C       0.111755     -5.215420      7.340394
  C      -0.817273     -4.552048      8.157336
  C      -2.073991     -4.219983      7.668808
  C      -2.433881     -4.557569      6.351831
  N      -3.652896     -4.234943      5.755227
  C      -4.716098     -3.854663      6.504953
  C      -5.077331     -4.449535      7.751056
  O      -4.662423     -5.436110      8.321367
  Cl     -6.504120     -3.520250      8.491154
  H      -2.413428     -3.060930     -0.871832
  H      -1.294891     -0.885254     -1.128123
  H      -0.912049      0.588526      0.847580
  H      -1.581009     -0.165097      3.113189
  H      -2.870542     -1.957060      5.635157
  H      -6.365524     -7.658744      6.061397
  H      -8.641647     -6.989371      6.717498
  H      -9.608253     -4.825382      5.941309
  H      -8.261213     -3.292311      4.541619
  H      -6.640763     -1.987612      4.398510
  H       0.556417     -5.956946      5.373859
  H       1.097031     -5.470706      7.733016
  H      -0.545203     -4.273090      9.175969
  H      -2.772022     -3.660764      8.288422
  H      -5.391576     -3.111247      6.098413
  N      -5.200457     -5.259355      2.216072
  H      -6.000106     -5.826336      2.506696
  H      -5.234793     -5.058361      1.215730
74
Coordinates from ORCA-job orca E -7298.933314743384
  N      -3.204704     -4.067466      1.590020
  C      -3.625755     -4.930506      0.491104
  C      -3.878332     -6.420083      1.059049
  N      -3.103375     -6.530793      2.324565
  C      -3.435874     -7.755714      3.138981
  C      -4.053625     -7.392717      4.527072
  N      -4.750810     -6.128332      4.432115
  Mo     -3.660217     -4.581859      3.564379
  N      -1.856422     -5.331783      4.186740
  C      -0.948806     -6.091717      3.334305
  C      -1.653939     -6.461746      2.035822
  H      -0.626291     -6.998032      3.875094
  H      -0.049870     -5.491187      3.113111
  H      -1.291114     -7.435774      1.669381
  H      -1.472383     -5.716501      1.257419
  H      -4.738506     -8.189112      4.852862
  H      -3.238487     -7.318122      5.264602
  H      -4.134819     -8.372751      2.557689
  H      -2.515280     -8.330805      3.301509
  H      -2.838727     -5.011778     -0.275725
  H      -4.494737     -4.465064     -0.007162
  H      -3.528892     -7.207350      0.354505
  H      -4.960678     -6.626826      1.303055
  C      -2.550807     -2.915314      1.288001
  C      -2.165821     -2.474283      0.001367
  C      -1.556563     -1.237577     -0.139803
  C      -1.348353     -0.400429      0.976032
  C      -1.717783     -0.817562      2.241969
  C      -2.280362     -2.098016      2.420567
  N      -2.712909     -2.612381      3.626703
  C      -2.205232     -2.075505      4.772488
  C      -0.858505     -1.706331      5.067481
  O      -0.472138     -1.080133      6.030421
  Cl      0.431664     -2.443899      3.946203
  C      -5.981214     -5.855418      4.915668
  C      -6.765712     -6.713124      5.725964
  C      -8.039788     -6.332027      6.113785
  C      -8.584351     -5.100957      5.703538
  C      -7.829548     -4.228249      4.931391
  C      -6.519315     -4.565465      4.558548
  N      -5.687559     -3.744714      3.772679
  C      -6.011299     -2.432324      3.670109
  C      -5.670464     -1.666594      2.525649
  O      -5.307814     -2.022915      1.421558
  Cl     -5.951630      0.129420      2.839516
  C      -1.475801     -5.157619      5.492736
  C      -0.213845     -5.509697      6.016940
  C       0.094301     -5.218310      7.340153
  C      -0.834790     -4.552821      8.155038
  C      -2.089775     -4.219675      7.663797
  C      -2.448336     -4.557573      6.346439
  N      -3.665635     -4.231046      5.750420
  C      -4.723449     -3.845678      6.502752
  C      -5.086294     -4.444826      7.747777
  O      -4.675966     -5.433079      8.315587
  Cl     -6.506147     -3.504466      8.494376
  H      -2.377417     -3.074381     -0.882369
  H      -1.267904     -0.893609     -1.134360
  H      -0.913099      0.590061      0.839487
  H      -1.600401     -0.158047      3.101140
  H      -2.879663     -1.967099      5.620414
  H      -6.359199     -7.667056      6.060815
  H      -8.628318     -7.001195      6.743420
  H      -9.599342     -4.828170      5.993078
  H      -8.263776     -3.287819      4.592697
  H      -6.647508     -1.976114      4.428061
  H       0.540481     -5.962407      5.375690
  H       1.079223     -5.474272      7.733230
  H      -0.564943     -4.272650      9.173903
  H      -2.787353     -3.659252      8.282693
  H      -5.394891     -3.097025      6.100211
  N      -5.224774     -5.233621      2.210976
  H      -6.026865     -5.790055      2.506439
  H      -5.259868     -5.030528      1.217292
74
Coordinates from ORCA-job orca E -7298.950048395641
  N      -3.195265     -4.073184      1.572533
  C      -3.598261     -4.947318      0.474922
  C      -3.847963     -6.426551      1.035595
  N      -3.095632     -6.533422      2.308862
  C      -3.437142     -7.752505      3.127289
  C      -4.058084     -7.394274      4.513327
  N      -4.757797     -6.132221      4.429678
  Mo     -3.675221     -4.584494      3.548258
  N      -1.867054     -5.334186      4.182827
  C      -0.950954     -6.092139      3.340315
  C      -1.643400     -6.460742      2.037565
  H      -0.630633     -6.998186      3.883162
  H      -0.049444     -5.492134      3.127427
  H      -1.276348     -7.434202      1.672942
  H      -1.457321     -5.713995      1.261965
  H      -4.737941     -8.196788      4.835557
  H      -3.242241     -7.321737      5.250456
  H      -4.130483     -8.370356      2.540356
  H      -2.517779     -8.327529      3.297359
  H      -2.799469     -5.036741     -0.278977
  H      -4.460051     -4.491247     -0.042287
  H      -3.479029     -7.208794      0.338401
  H      -4.916670     -6.640429      1.266241
  C      -2.540739     -2.923688      1.275291
  C      -2.142703     -2.485762     -0.009669
  C      -1.539832     -1.246522     -0.148602
  C      -1.348580     -0.402377      0.965748
  C      -1.728856     -0.815437      2.229042
  C      -2.286726     -2.098424      2.406816
  N      -2.721233     -2.612452      3.609902
  C      -2.216379     -2.078145      4.756486
  C      -0.870527     -1.708195      5.054657
  O      -0.484088     -1.088221      6.020830
  Cl      0.422368     -2.439744      3.927501
  C      -5.982422     -5.857538      4.921954
  C      -6.762621     -6.720708      5.732514
  C      -8.031352     -6.341756      6.135308
  C      -8.577436     -5.104699      5.741702
  C      -7.828990     -4.227194      4.971493
  C      -6.520689     -4.561591      4.583251
  N      -5.700766     -3.735886      3.800259
  C      -6.015704     -2.422404      3.703285
  C      -5.665464     -1.654822      2.561827
  O      -5.296079     -2.004714      1.459404
  Cl     -5.941511      0.143798      2.885587
  C      -1.492480     -5.158894      5.488814
  C      -0.231355     -5.512615      6.017137
  C       0.075692     -5.219160      7.339377
  C      -0.853331     -4.550822      8.152200
  C      -2.106310     -4.217024      7.658178
  C      -2.463901     -4.556193      6.340411
  N      -3.678922     -4.226289      5.744706
  C      -4.730563     -3.835803      6.500933
  C      -5.094225     -4.439606      7.745048
  O      -4.688884     -5.430452      8.309553
  Cl     -6.505214     -3.488471      8.499688
  H      -2.341553     -3.091593     -0.892308
  H      -1.242711     -0.904907     -1.141447
  H      -0.917708      0.589855      0.828782
  H      -1.623330     -0.152296      3.086943
  H      -2.890423     -1.976572      5.605398
  H      -6.353112     -7.677613      6.054780
  H      -8.614844     -7.015483      6.764593
  H      -9.588627     -4.832203      6.044209
  H      -8.263755     -3.282314      4.646502
  H      -6.651823     -1.964997      4.460797
  H       0.523432     -5.966952      5.378044
  H       1.060253     -5.475386      7.732994
  H      -0.585287     -4.268721      9.170890
  H      -2.803325     -3.654795      8.275828
  H      -5.398165     -3.081246      6.104285
  N      -5.247748     -5.209190      2.204766
  H      -6.052770     -5.755603      2.504298
  H      -5.282993     -5.002843      1.215397
74
Coordinates from ORCA-job orca E -7298.964218106572
  N      -3.186324     -4.081896      1.555385
  C      -3.569134     -4.966408      0.458343
  C      -3.816765     -6.433024      1.011353
  N      -3.087674     -6.536613      2.293902
  C      -3.439701     -7.750290      3.114442
  C      -4.063768     -7.396382      4.498013
  N      -4.763918     -6.134862      4.424708
  Mo     -3.691413     -4.587879      3.530291
  N      -1.879288     -5.336140      4.179212
  C      -0.953651     -6.093144      3.348316
  C      -1.632360     -6.461261      2.041163
  H      -0.636449     -6.998574      3.894239
  H      -0.049411     -5.493897      3.144493
  H      -1.261480     -7.434179      1.678250
  H      -1.440241     -5.712983      1.268728
  H      -4.739879     -8.204026      4.815835
  H      -3.248557     -7.326779      5.236293
  H      -4.128299     -8.367847      2.521812
  H      -2.522807     -8.327310      3.291748
  H      -2.757935     -5.062643     -0.281619
  H      -4.424035     -4.521739     -0.078472
  H      -3.428306     -7.209595      0.321078
  H      -4.875703     -6.652444      1.228694
  C      -2.531281     -2.934149      1.262181
  C      -2.119993     -2.499758     -0.020787
  C      -1.524130     -1.257579     -0.158286
  C      -1.350742     -0.405971      0.953839
  C      -1.741981     -0.814993      2.214546
  C      -2.294224     -2.100687      2.391984
  N      -2.730893     -2.613869      3.592725
  C      -2.229244     -2.080135      4.739715
  C      -0.884417     -1.708461      5.040258
  O      -0.497782     -1.093028      6.008746
  Cl      0.411037     -2.435293      3.909140
  C      -5.983398     -5.859997      4.926443
  C      -6.759647     -6.729811      5.735114
  C      -8.023019     -6.353195      6.153014
  C      -8.569664     -5.109355      5.778138
  C      -7.826876     -4.225868      5.012028
  C      -6.520310     -4.557080      4.608604
  N      -5.710724     -3.725881      3.830285
  C      -6.017200     -2.411583      3.740485
  C      -5.656716     -1.636734      2.605819
  O      -5.277898     -1.974542      1.504278
  Cl     -5.932176      0.161849      2.946753
  C      -1.509851     -5.159316      5.485025
  C      -0.249457     -5.514582      6.017607
  C       0.056902     -5.218148      7.338467
  C      -0.871687     -4.545972      8.149125
  C      -2.122559     -4.211757      7.652322
  C      -2.479697     -4.553296      6.334357
  N      -3.692175     -4.220431      5.738650
  C      -4.736916     -3.824854      6.500147
  C      -5.100670     -4.433857      7.743293
  O      -4.700725     -5.428536      8.303069
  Cl     -6.500839     -3.472511      8.508059
  H      -2.305314     -3.111852     -0.901904
  H      -1.218492     -0.918469     -1.149356
  H      -0.924977      0.588210      0.815967
  H      -1.649191     -0.148013      3.070930
  H      -2.902649     -1.984557      5.589635
  H      -6.348091     -7.690428      6.043081
  H      -8.602316     -7.032220      6.780263
  H      -9.576980     -4.837648      6.093693
  H      -8.261370     -3.275872      4.702348
  H      -6.655254     -1.954942      4.497119
  H       0.505766     -5.971111      5.381090
  H       1.041157     -5.474364      7.732649
  H      -0.604802     -4.261078      9.167209
  H      -2.818781     -3.646817      8.268160
  H      -5.400760     -3.063508      6.111418
  N      -5.269071     -5.186671      2.196422
  H      -6.077625     -5.723355      2.499206
  H      -5.303696     -4.975862      1.209875
74
Coordinates from ORCA-job orca E -7298.976201835174
  N      -3.177819     -4.092917      1.538194
  C      -3.538337     -4.986746      0.440936
  C      -3.785229     -6.440814      0.986857
  N      -3.079583     -6.541183      2.279994
  C      -3.443624     -7.749707      3.101052
  C      -4.070762     -7.399018      4.481865
  N      -4.769477     -6.136346      4.417620
  Mo     -3.708681     -4.591826      3.510624
  N      -1.892545     -5.337586      4.176167
  C      -0.957003     -6.094931      3.357972
  C      -1.621154     -6.464164      2.046426
  H      -0.643829     -6.999363      3.908028
  H      -0.049997     -5.496666      3.163481
  H      -1.246666     -7.436639      1.685485
  H      -1.421903     -5.714625      1.277118
  H      -4.744806     -8.210423      4.794702
  H      -3.257470     -7.333161      5.222761
  H      -4.128762     -8.365826      2.503076
  H      -2.530462     -8.330930      3.285019
  H      -2.714336     -5.087906     -0.284364
  H      -4.386552     -4.555269     -0.115878
  H      -3.377911     -7.211761      0.303404
  H      -4.838956     -6.664285      1.190809
  C      -2.522409     -2.945940      1.248599
  C      -2.097840     -2.515383     -0.032017
  C      -1.509483     -1.269885     -0.168759
  C      -1.354679     -0.410637      0.940554
  C      -1.756854     -0.815839      2.198703
  C      -2.302554     -2.104430      2.376196
  N      -2.741676     -2.616399      3.575221
  C      -2.243803     -2.081248      4.722283
  C      -0.900164     -1.707190      5.025257
  O      -0.514369     -1.094428      5.995449
  Cl      0.398895     -2.431428      3.893738
  C      -5.984527     -5.862496      4.929094
  C      -6.757418     -6.739896      5.733642
  C      -8.015689     -6.365827      6.166218
  C      -8.561880     -5.114798      5.811573
  C      -7.823665     -4.224293      5.051664
  C      -6.518616     -4.551964      4.633942
  N      -5.717493     -3.714298      3.861918
  C      -6.016660     -2.399746      3.781010
  C      -5.645466     -1.612634      2.656774
  O      -5.254384     -1.933478      1.555798
  Cl     -5.924991      0.183239      3.021120
  C      -1.526981     -5.158753      5.481634
  C      -0.267164     -5.515479      6.018172
  C       0.039243     -5.215169      7.337314
  C      -0.888335     -4.538197      8.145806
  C      -2.137232     -4.203732      7.646514
  C      -2.494684     -4.548746      6.328756
  N      -3.704661     -4.213284      5.733006
  C      -4.741872     -3.813061      6.501075
  C      -5.104983     -4.428174      7.743006
  O      -4.710626     -5.428017      8.296106
  Cl     -6.492715     -3.457804      8.520292
  H      -2.268974     -3.134006     -0.911335
  H      -1.195388     -0.933340     -1.158030
  H      -0.934691      0.585737      0.801481
  H      -1.677548     -0.144871      3.053337
  H      -2.916812     -1.990514      5.572817
  H      -6.344916     -7.704844      6.026075
  H      -8.591830     -7.050808      6.789719
  H      -9.565478     -4.844384      6.139667
  H      -8.257147     -3.268740      4.758452
  H      -6.658863     -1.946004      4.536280
  H       0.488318     -5.974803      5.384447
  H       1.023354     -5.471143      7.731886
  H      -0.621715     -4.249614      9.162818
  H      -2.832305     -3.635102      8.260119
  H      -5.402053     -3.044050      6.122317
  N      -5.288244     -5.166368      2.185770
  H      -6.100921     -5.693493      2.491157
  H      -5.321684     -4.949994      1.201171
74
Coordinates from ORCA-job orca E -7298.986312871496
  N      -3.169832     -4.105262      1.521044
  C      -3.506308     -5.006984      0.422860
  C      -3.754203     -6.450654      0.963061
  N      -3.071725     -6.547494      2.267483
  C      -3.449150     -7.750932      3.087805
  C      -4.079010     -7.401948      4.465800
  N      -4.774624     -6.136656      4.409161
  Mo     -3.726915     -4.596006      3.489741
  N      -1.906218     -5.338412      4.173884
  C      -0.961162     -6.097464      3.368764
  C      -1.610419     -6.469767      2.053115
  H      -0.652789     -7.000557      3.923868
  H      -0.051446     -5.500430      3.183276
  H      -1.232374     -7.441937      1.694681
  H      -1.403523     -5.719460      1.286537
  H      -4.752923     -8.215484      4.773337
  H      -3.268717     -7.340643      5.210501
  H      -4.132612     -8.364325      2.485231
  H      -2.541003     -8.338675      3.277435
  H      -2.669556     -5.110874     -0.287519
  H      -4.348228     -4.589721     -0.153769
  H      -3.329498     -7.216610      0.286442
  H      -4.806353     -6.676539      1.153291
  C      -2.514210     -2.958125      1.235003
  C      -2.076419     -2.531352     -0.042853
  C      -1.495718     -1.282321     -0.179161
  C      -1.359763     -0.415709      0.927044
  C      -1.772778     -0.817560      2.182565
  C      -2.311379     -2.109153      2.360189
  N      -2.753328     -2.619693      3.557865
  C      -2.259843     -2.081209      4.704562
  C      -0.917588     -1.703718      5.009819
  O      -0.533926     -1.091324      5.980904
  Cl      0.386022     -2.425923      3.880242
  C      -5.986020     -5.864520      4.930270
  C      -6.756342     -6.750024      5.728714
  C      -8.010019     -6.378681      6.174978
  C      -8.554814     -5.120529      5.841125
  C      -7.819865     -4.222367      5.089129
  C      -6.516066     -4.546252      4.658611
  N      -5.721390     -3.701161      3.894219
  C      -6.014700     -2.387075      3.823159
  C      -5.632728     -1.585311      2.711321
  O      -5.227589     -1.887522      1.611286
  Cl     -5.919783      0.206053      3.100871
  C      -1.542977     -5.157249      5.478769
  C      -0.283497     -5.515431      6.018568
  C       0.023918     -5.210684      7.335747
  C      -0.901902     -4.528229      8.142372
  C      -2.149146     -4.193549      7.641268
  C      -2.507898     -4.542801      6.324174
  N      -3.715653     -4.204972      5.728815
  C      -4.745070     -3.801386      6.504407
  C      -5.107000     -4.424211      7.744508
  O      -4.718105     -5.430509      8.288555
  Cl     -6.481721     -3.447159      8.536477
  H      -2.232931     -3.156327     -0.920336
  H      -1.173275     -0.948228     -1.166585
  H      -0.945936      0.583028      0.786797
  H      -1.707366     -0.142682      3.035346
  H      -2.932765     -1.994271      5.555298
  H      -6.344041     -7.719686      6.005104
  H      -8.584104     -7.070027      6.793231
  H      -9.555062     -4.851810      6.180641
  H      -8.251781     -3.261160      4.812837
  H      -6.662892     -1.937379      4.576230
  H       0.471950     -5.978017      5.387604
  H       1.008134     -5.466306      7.730276
  H      -0.634458     -4.235296      9.157868
  H      -2.842600     -3.620410      8.252506
  H      -5.401879     -3.024102      6.137492
  N      -5.304751     -5.147993      2.173611
  H      -6.122032     -5.665647      2.481161
  H      -5.336822     -4.925042      1.190522
74
Coordinates from ORCA-job orca E -7298.994813771595
  N      -3.162169     -4.118071      1.503996
  C      -3.473355     -5.026487      0.404549
  C      -3.724349     -6.462742      0.940964
  N      -3.064462     -6.555341      2.256639
  C      -3.456465     -7.753509      3.075383
  C      -4.088183     -7.404516      4.450726
  N      -4.779242     -6.135465      4.400083
  Mo     -3.745835     -4.599820      3.468030
  N      -1.919591     -5.338299      4.172287
  C      -0.966112     -6.100441      3.380029
  C      -1.600757     -6.477828      2.060928
  H      -0.663142     -7.001894      3.940908
  H      -0.053752     -5.505036      3.202562
  H      -1.219138     -7.449901      1.705793
  H      -1.386261     -5.727469      1.296337
  H      -4.763984     -8.218420      4.752911
  H      -3.281638     -7.348535      5.199999
  H      -4.140537     -8.362676      2.469299
  H      -2.554634     -8.350134      3.269242
  H      -2.624315     -5.131187     -0.291026
  H      -4.309253     -4.624014     -0.191351
  H      -3.284382     -7.224804      0.271268
  H      -4.777189     -6.689226      1.116932
  C      -2.506482     -2.970001      1.221658
  C      -2.055614     -2.546722     -0.053055
  C      -1.482515     -1.294092     -0.189037
  C      -1.365320     -0.420622      0.913936
  C      -1.788960     -0.819678      2.166688
  C      -2.320119     -2.114353      2.344450
  N      -2.765324     -2.623290      3.540998
  C      -2.277127     -2.080146      4.687155
  C      -0.936431     -1.698980      4.995636
  O      -0.556728     -1.085349      5.967400
  Cl      0.373208     -2.421292      3.871962
  C      -5.987806     -5.865306      4.930360
  C      -6.756364     -6.758932      5.721265
  C      -8.006177     -6.390496      6.179724
  C      -8.548922     -5.125805      5.866052
  C      -7.815954     -4.219881      5.122982
  C      -6.513101     -4.539862      4.681655
  N      -5.723045     -3.686671      3.925805
  C      -6.012572     -2.373707      3.864734
  C      -5.621889     -1.556887      2.765234
  O      -5.203618     -1.841121      1.666165
  Cl     -5.918935      0.228921      3.178557
  C      -1.556989     -5.154616      5.476229
  C      -0.297536     -5.514343      6.018313
  C       0.011949     -5.205115      7.333386
  C      -0.911280     -4.516925      8.138807
  C      -2.157308     -4.181885      7.636899
  C      -2.518437     -4.535558      6.320863
  N      -3.724408     -4.195387      5.726914
  C      -4.746154     -3.790791      6.510656
  C      -5.105936     -4.423568      7.748112
  O      -4.721349     -5.437182      8.280488
  Cl     -6.468222     -3.443678      8.556964
  H      -2.197295     -3.177546     -0.928825
  H      -1.151930     -0.962271     -1.174561
  H      -0.957905      0.580594      0.772698
  H      -1.737659     -0.141034      3.017505
  H      -2.950809     -1.995939      5.537284
  H      -6.345234     -7.733326      5.982018
  H      -8.579162     -7.088285      6.791682
  H      -9.546355     -4.859046      6.215356
  H      -8.246050     -3.253330      4.863180
  H      -6.667621     -1.928669      4.615157
  H       0.457491     -5.980460      5.389846
  H       0.996550     -5.460465      7.727198
  H      -0.641840     -4.219429      9.152427
  H      -2.848672     -3.603770      8.245961
  H      -5.400461     -3.005230      6.157279
  N      -5.318058     -5.130864      2.160926
  H      -6.140277     -5.639025      2.470373
  H      -5.348997     -4.900615      1.179206
74
Coordinates from ORCA-job orca E -7299.001892298545
  N      -3.154706     -4.130721      1.487318
  C      -3.440022     -5.045334      0.386744
  C      -3.696257     -6.476750      0.921465
  N      -3.058103     -6.564248      2.247827
  C      -3.465637     -7.756819      3.064521
  C      -4.097652     -7.406117      4.437674
  N      -4.782970     -6.132514      4.391390
  Mo     -3.764965     -4.602708      3.446133
  N      -1.931948     -5.337212      4.171485
  C      -0.971691     -6.103870      3.391489
  C      -1.592570     -6.487956      2.069812
  H      -0.674729     -7.003509      3.958640
  H      -0.056575     -5.510824      3.220628
  H      -1.207492     -7.460253      1.718893
  H      -1.370777     -5.738432      1.306266
  H      -4.777250     -8.218647      4.734683
  H      -3.295155     -7.356214      5.191757
  H      -4.153076     -8.359933      2.456243
  H      -2.571429     -8.364707      3.260677
  H      -2.579483     -5.149523     -0.294488
  H      -4.270040     -4.658282     -0.227850
  H      -3.243557     -7.236308      0.258698
  H      -4.751126     -6.702068      1.082528
  C      -2.499165     -2.981131      1.208763
  C      -2.035485     -2.560977     -0.062509
  C      -1.469527     -1.304913     -0.198165
  C      -1.370325     -0.425273      0.901594
  C      -1.804263     -0.822037      2.151462
  C      -2.328258     -2.119661      2.329293
  N      -2.777087     -2.626698      3.524906
  C      -2.294959     -2.077512      4.670077
  C      -0.956077     -1.691229      4.981434
  O      -0.581508     -1.074113      5.952946
  Cl      0.359893     -2.411961      3.863881
  C      -5.989657     -5.864282      4.929987
  C      -6.757199     -6.765601      5.712552
  C      -8.004137     -6.400308      6.181201
  C      -8.544611     -5.130126      5.885902
  C      -7.812498     -4.216809      5.151992
  C      -6.510224     -4.532868      4.702225
  N      -5.723055     -3.671273      3.955560
  C      -6.011105     -2.359702      3.904094
  C      -5.614465     -1.528073      2.816240
  O      -5.184483     -1.795508      1.717983
  Cl     -5.922494      0.251527      3.251285
  C      -1.568523     -5.151047      5.474140
  C      -0.308861     -5.512694      6.017527
  C       0.003609     -5.199687      7.330533
  C      -0.916214     -4.505955      8.135723
  C      -2.161427     -4.170069      7.634121
  C      -2.525898     -4.527539      6.319311
  N      -3.730606     -4.184729      5.728181
  C      -4.745761     -3.782913      6.519947
  C      -5.102578     -4.428680      7.753456
  O      -4.720277     -5.450010      8.271540
  Cl     -6.455222     -3.451842      8.580342
  H      -2.162516     -3.196956     -0.936770
  H      -1.131096     -0.975212     -1.181772
  H      -0.969201      0.578386      0.759620
  H      -1.766821     -0.139880      3.000267
  H      -2.969800     -1.995511      5.519223
  H      -6.347868     -7.744375      5.959040
  H      -8.576731     -7.104327      6.786335
  H      -9.539929     -4.865469      6.242920
  H      -8.240872     -3.245586      4.907338
  H      -6.673158     -1.919931      4.651949
  H       0.445357     -5.982399      5.391131
  H       0.988808     -5.455201      7.722874
  H      -0.643712     -4.204304      9.147296
  H      -2.850295     -3.586926      8.241473
  H      -5.399241     -2.990021      6.181218
  N      -5.327934     -5.114299      2.148735
  H      -6.155379     -5.612881      2.459933
  H      -5.358445     -4.876307      1.168288
74
Coordinates from ORCA-job orca E -7299.007698935393
  N      -3.147435     -4.142302      1.471335
  C      -3.407391     -5.062999      0.370302
  C      -3.670880     -6.491114      0.904891
  N      -3.053187     -6.573073      2.241125
  C      -3.476885     -7.759737      3.055502
  C      -4.106593     -7.405852      4.427395
  N      -4.785239     -6.127232      4.384121
  Mo     -3.783721     -4.603730      3.424673
  N      -1.942501     -5.334643      4.171284
  C      -0.977620     -6.107337      3.402622
  C      -1.586353     -6.499136      2.079427
  H      -0.687225     -7.005096      3.976321
  H      -0.059397     -5.517805      3.236484
  H      -1.198251     -7.472077      1.733545
  H      -1.357669     -5.751412      1.315927
  H      -4.791589     -8.215415      4.719678
  H      -3.307815     -7.362820      5.185834
  H      -4.170996     -8.354418      2.446529
  H      -2.591655     -8.381375      3.251300
  H      -2.536495     -5.165728     -0.297561
  H      -4.231623     -4.691319     -0.261990
  H      -3.208280     -7.249567      0.248732
  H      -4.728473     -6.713665      1.050314
  C      -2.492334     -2.990894      1.196449
  C      -2.016708     -2.573608     -0.071404
  C      -1.457493     -1.314355     -0.207043
  C      -1.375071     -0.429074      0.889435
  C      -1.818319     -0.823908      2.136546
  C      -2.335184     -2.124420      2.314873
  N      -2.787745     -2.629295      3.509918
  C      -2.313042     -2.073655      4.654325
  C      -0.976153     -1.683030      4.971026
  O      -0.609002     -1.062366      5.943090
  Cl      0.348247     -2.407371      3.866384
  C      -5.991123     -5.860785      4.929832
  C      -6.758254     -6.769058      5.703863
  C      -8.003634     -6.407320      6.180031
  C      -8.542274     -5.133161      5.899951
  C      -7.810200     -4.213155      5.174721
  C      -6.507917     -4.525163      4.719496
  N      -5.721983     -3.655421      3.982332
  C      -6.010756     -2.345314      3.938238
  C      -5.611682     -1.502135      2.858918
  O      -5.173142     -1.757033      1.761176
  Cl     -5.930836      0.272014      3.309137
  C      -1.576925     -5.145973      5.472264
  C      -0.316727     -5.509791      6.015898
  C      -0.000437     -5.194185      7.327000
  C      -0.916180     -4.495736      8.133279
  C      -2.161031     -4.158575      7.633206
  C      -2.529627     -4.518584      6.319610
  N      -3.733699     -4.172662      5.733289
  C      -4.743680     -3.778840      6.532956
  C      -5.095244     -4.440811      7.761438
  O      -4.711264     -5.469231      8.262948
  Cl     -6.441932     -3.474358      8.607855
  H      -2.129889     -3.214123     -0.944240
  H      -1.112041     -0.986694     -1.188922
  H      -0.980325      0.577013      0.746689
  H      -1.794244     -0.138296      2.983099
  H      -2.990568     -1.993124      5.501212
  H      -6.350831     -7.751461      5.938450
  H      -8.576237     -7.117147      6.778317
  H      -9.536412     -4.870794      6.262084
  H      -8.237417     -3.238341      4.942790
  H      -6.679107     -1.910247      4.683596
  H       0.436315     -5.982833      5.390946
  H       0.985594     -5.450346      7.716971
  H      -0.639694     -4.190812      9.142795
  H      -2.847269     -3.570929      8.239562
  H      -5.399129     -2.980614      6.209937
  N      -5.334824     -5.097099      2.137787
  H      -6.167741     -5.585990      2.450551
  H      -5.366050     -4.850901      1.158704
74
Coordinates from ORCA-job orca E -7299.012405532254
  N      -3.140221     -4.152625      1.456845
  C      -3.376402     -5.079308      0.356170
  C      -3.649103     -6.504593      0.891333
  N      -3.050394     -6.581403      2.236579
  C      -3.490553     -7.762057      3.048279
  C      -4.114221     -7.403893      4.420337
  N      -4.785514     -6.120020      4.379367
  Mo     -3.801339     -4.602864      3.404726
  N      -1.950899     -5.331475      4.172268
  C      -0.983939     -6.111956      3.413849
  C      -1.582571     -6.511275      2.089834
  H      -0.701074     -7.008101      3.994050
  H      -0.061800     -5.527710      3.250725
  H      -1.192419     -7.485389      1.749486
  H      -1.346951     -5.766197      1.325670
  H      -4.805708     -8.209165      4.708775
  H      -3.318052     -7.368520      5.181852
  H      -4.195033     -8.345292      2.440169
  H      -2.615694     -8.399962      3.240351
  H      -2.496439     -5.179697     -0.299701
  H      -4.194760     -4.721734     -0.292396
  H      -3.179464     -7.263239      0.241130
  H      -4.709878     -6.722967      1.020168
  C      -2.485677     -2.999386      1.185351
  C      -1.998902     -2.584783     -0.079168
  C      -1.444915     -1.323037     -0.214849
  C      -1.376800     -0.433025      0.878617
  C      -1.828675     -0.826124      2.123130
  C      -2.340191     -2.128771      2.301848
  N      -2.796738     -2.630998      3.496500
  C      -2.329966     -2.067500      4.639248
  C      -0.995730     -1.667637      4.957791
  O      -0.635745     -1.039288      5.927595
  Cl      0.335085     -2.382287      3.856019
  C      -5.991596     -5.855313      4.930933
  C      -6.758722     -6.769563      5.696862
  C      -8.003789     -6.411585      6.177989
  C      -8.541239     -5.134918      5.909618
  C      -7.808636     -4.209139      5.192052
  C      -6.505959     -4.517319      4.734021
  N      -5.719594     -3.640157      4.006660
  C      -6.010641     -2.331210      3.967614
  C      -5.611817     -1.480088      2.893738
  O      -5.167082     -1.726836      1.796382
  Cl     -5.940500      0.289937      3.352810
  C      -1.582724     -5.140483      5.471512
  C      -0.321977     -5.507091      6.014878
  C      -0.001559     -5.190551      7.324429
  C      -0.912753     -4.488310      8.133017
  C      -2.157423     -4.149189      7.635312
  C      -2.530499     -4.509961      6.322626
  N      -3.734499     -4.160067      5.742947
  C      -4.742256     -3.780788      6.548987
  C      -5.088013     -4.462519      7.770525
  O      -4.698821     -5.497105      8.253927
  Cl     -6.436319     -3.515779      8.634011
  H      -2.099703     -3.229101     -0.950722
  H      -1.093025     -0.997436     -1.195158
  H      -0.987372      0.575067      0.735288
  H      -1.816409     -0.137485      2.967560
  H      -3.009371     -1.989699      5.484677
  H      -6.353020     -7.754739      5.922309
  H      -8.576529     -7.126614      6.769904
  H      -9.535035     -4.874812      6.274489
  H      -8.235246     -3.231738      4.970124
  H      -6.683973     -1.900247      4.711087
  H       0.429697     -5.983064      5.390821
  H       0.985350     -5.448126      7.711417
  H      -0.631757     -4.181351      9.140683
  H      -2.841068     -3.557743      8.241300
  H      -5.403187     -2.980470      6.241142
  N      -5.339598     -5.078715      2.128361
  H      -6.178299     -5.557793      2.442247
  H      -5.372848     -4.823464      1.150829
74
Coordinates from ORCA-job orca E -7299.016174513736
  N      -3.133238     -4.161587      1.442890
  C      -3.348359     -5.094536      0.343798
  C      -3.631254     -6.516607      0.880281
  N      -3.049867     -6.588417      2.233513
  C      -3.505939     -7.762946      3.042639
  C      -4.119510     -7.399455      4.416293
  N      -4.783537     -6.110626      4.376803
  Mo     -3.817259     -4.599428      3.385779
  N      -1.956425     -5.326341      4.173182
  C      -0.990027     -6.116259      3.423889
  C      -1.581240     -6.523021      2.099975
  H      -0.715024     -7.010734      4.010706
  H      -0.063308     -5.539042      3.261378
  H      -1.190002     -7.498870      1.765764
  H      -1.338988     -5.781563      1.334220
  H      -4.817657     -8.199630      4.702511
  H      -3.324342     -7.371626      5.179026
  H      -4.224157     -8.331886      2.437112
  H      -2.642583     -8.418917      3.227694
  H      -2.460728     -5.191279     -0.301872
  H      -4.160987     -4.749091     -0.319136
  H      -3.156968     -7.276670      0.235614
  H      -4.695130     -6.730044      0.991825
  C      -2.479873     -3.006536      1.173940
  C      -1.984427     -2.594652     -0.088118
  C      -1.436812     -1.330178     -0.225309
  C      -1.382422     -0.434983      0.864486
  C      -1.840322     -0.826420      2.107228
  C      -2.343994     -2.131902      2.288371
  N      -2.803775     -2.631382      3.483531
  C      -2.348190     -2.061196      4.626583
  C      -1.016651     -1.660036      4.958426
  O      -0.670001     -1.031017      5.932627
  Cl      0.328824     -2.399048      3.893049
  C      -5.991247     -5.848037      4.931688
  C      -6.759204     -6.767302      5.689633
  C      -8.005799     -6.413480      6.171603
  C      -8.543013     -5.135930      5.910307
  C      -7.808997     -4.205164      5.199969
  C      -6.504916     -4.509472      4.743270
  N      -5.715978     -3.625704      4.026704
  C      -6.010478     -2.317503      3.990129
  C      -5.612918     -1.461908      2.919309
  O      -5.162877     -1.704386      1.822692
  Cl     -5.950941      0.305371      3.380830
  C      -1.584748     -5.131773      5.470168
  C      -0.322640     -5.499917      6.012102
  C       0.002716     -5.182927      7.320112
  C      -0.903874     -4.478658      8.132447
  C      -2.149185     -4.138580      7.638323
  C      -2.527157     -4.499188      6.326600
  N      -3.732011     -4.145226      5.756197
  C      -4.738321     -3.785989      6.568827
  C      -5.072562     -4.487325      7.784841
  O      -4.671001     -5.524365      8.251361
  Cl     -6.424198     -3.565384      8.667115
  H      -2.074398     -3.242831     -0.957989
  H      -1.080624     -1.006665     -1.204778
  H      -1.000098      0.575580      0.719480
  H      -1.839916     -0.133997      2.948628
  H      -3.034638     -1.983566      5.466144
  H      -6.354746     -7.754172      5.909504
  H      -8.579096     -7.133082      6.757367
  H      -9.537774     -4.878301      6.274427
  H      -8.235610     -3.226340      4.984437
  H      -6.687783     -1.890186      4.732176
  H       0.427469     -5.978054      5.388041
  H       0.991014     -5.441425      7.703072
  H      -0.617824     -4.170277      9.138260
  H      -2.830956     -3.544798      8.244656
  H      -5.408526     -2.987166      6.276297
  N      -5.343484     -5.059694      2.119156
  H      -6.187883     -5.529236      2.433769
  H      -5.380099     -4.794859      1.143589
74
Coordinates from ORCA-job orca E -7299.019148449844
  N      -3.126490     -4.169847      1.431972
  C      -3.323236     -5.108177      0.334385
  C      -3.617157     -6.526761      0.871460
  N      -3.052132     -6.595293      2.232007
  C      -3.523889     -7.764269      3.037491
  C      -4.123411     -7.395549      4.414292
  N      -4.779971     -6.101810      4.376949
  Mo     -3.831352     -4.595860      3.369980
  N      -1.960792     -5.323622      4.177005
  C      -0.997263     -6.124300      3.435781
  C      -1.582573     -6.535946      2.111366
  H      -0.731750     -7.018038      4.028413
  H      -0.064767     -5.556211      3.273677
  H      -1.191633     -7.513889      1.782808
  H      -1.332637     -5.798078      1.344531
  H      -4.827987     -8.190165      4.699928
  H      -3.327292     -7.375548      5.176097
  H      -4.258537     -8.315737      2.435578
  H      -2.673198     -8.439840      3.212316
  H      -2.428751     -5.199236     -0.302379
  H      -4.130160     -4.771691     -0.340929
  H      -3.139896     -7.288828      0.231504
  H      -4.684269     -6.734745      0.964735
  C      -2.473280     -3.013523      1.165727
  C      -1.968197     -2.604164     -0.093342
  C      -1.420918     -1.339287     -0.230142
  C      -1.374103     -0.441607      0.857736
  C      -1.839948     -0.831233      2.098207
  C      -2.344545     -2.136344      2.278709
  N      -2.809464     -2.632102      3.473395
  C      -2.361677     -2.052238      4.612956
  C      -1.034867     -1.627441      4.935678
  O      -0.693733     -0.978178      5.898510
  Cl      0.310524     -2.306948      3.834215
  C      -5.989451     -5.841595      4.934997
  C      -6.758089     -6.764653      5.686495
  C      -8.006252     -6.414090      6.168939
  C      -8.543193     -5.136192      5.912801
  C      -7.807636     -4.201521      5.208104
  C      -6.502712     -4.503290      4.752990
  N      -5.710061     -3.614286      4.046982
  C      -6.008890     -2.306367      4.012698
  C      -5.616622     -1.447071      2.943405
  O      -5.165474     -1.685886      1.845851
  Cl     -5.963855      0.317587      3.406418
  C      -1.587259     -5.126872      5.472538
  C      -0.324715     -5.498686      6.013696
  C       0.005049     -5.183516      7.320709
  C      -0.896438     -4.477153      8.137294
  C      -2.141802     -4.134442      7.646654
  C      -2.524613     -4.492834      6.335284
  N      -3.730435     -4.132795      5.774890
  C      -4.739482     -3.798342      6.589866
  C      -5.069030     -4.522400      7.796325
  O      -4.658832     -5.563387      8.244918
  Cl     -6.437249     -3.634050      8.684726
  H      -2.049937     -3.254668     -0.962292
  H      -1.058819     -1.018063     -1.208217
  H      -0.992955      0.569434      0.712922
  H      -1.846623     -0.136999      2.938230
  H      -3.046400     -1.982443      5.454538
  H      -6.354884     -7.752844      5.902490
  H      -8.579895     -7.137362      6.749796
  H      -9.538894     -4.880307      6.275726
  H      -8.234050     -3.221548      4.997316
  H      -6.687860     -1.883706      4.755849
  H       0.423742     -5.978693      5.389299
  H       0.994267     -5.444508      7.699755
  H      -0.605377     -4.168808      9.141683
  H      -2.821474     -3.538409      8.253479
  H      -5.420416     -3.003981      6.308549
  N      -5.347184     -5.040728      2.110566
  H      -6.197445     -5.501142      2.424949
  H      -5.387898     -4.764722      1.137320
74
Coordinates from ORCA-job orca E -7299.021797711997
  N      -3.119958     -4.177199      1.420026
  C      -3.301660     -5.121447      0.325101
  C      -3.605653     -6.535810      0.863958
  N      -3.055639     -6.600489      2.230872
  C      -3.541855     -7.763750      3.033416
  C      -4.123876     -7.388854      4.414379
  N      -4.774100     -6.091089      4.378156
  Mo     -3.843147     -4.589876      3.353974
  N      -1.961927     -5.317547      4.179421
  C      -1.003354     -6.130219      3.445498
  C      -1.585172     -6.547061      2.121517
  H      -0.746974     -7.022719      4.044342
  H      -0.064790     -5.572564      3.281301
  H      -1.195098     -7.527552      1.799390
  H      -1.328237     -5.813728      1.352599
  H      -4.833617     -8.177936      4.702326
  H      -3.324737     -7.374967      5.172921
  H      -4.294960     -8.295656      2.436836
  H      -2.704602     -8.459412      3.195740
  H      -2.401280     -5.204262     -0.304277
  H      -4.103561     -4.791694     -0.360304
  H      -3.126392     -7.300778      0.228958
  H      -4.675441     -6.738725      0.938978
  C      -2.468563     -3.019205      1.154902
  C      -1.958621     -2.612075     -0.102982
  C      -1.418045     -1.344526     -0.242673
  C      -1.382553     -0.441942      0.841293
  C      -1.851013     -0.830329      2.081173
  C      -2.346182     -2.138447      2.265692
  N      -2.813502     -2.631206      3.461591
  C      -2.380085     -2.043525      4.601771
  C      -1.056783     -1.619292      4.943467
  O      -0.733064     -0.973317      5.914499
  Cl      0.308980     -2.349936      3.904382
  C      -5.986984     -5.833821      4.935785
  C      -6.757737     -6.759753      5.680427
  C      -8.009382     -6.412448      6.158482
  C      -8.546575     -5.135396      5.902873
  C      -7.808049     -4.197426      5.204344
  C      -6.500863     -4.496738      4.755718
  N      -5.701847     -3.603384      4.061860
  C      -6.004796     -2.295369      4.027562
  C      -5.615556     -1.435024      2.958938
  O      -5.159961     -1.672698      1.862351
  Cl     -5.970374      0.328434      3.419366
  C      -1.584994     -5.115553      5.472523
  C      -0.320078     -5.487476      6.010706
  C       0.015753     -5.173125      7.316183
  C      -0.881074     -4.467482      8.138765
  C      -2.128226     -4.125297      7.653521
  C      -2.516807     -4.481640      6.343007
  N      -3.725097     -4.116852      5.795500
  C      -4.735690     -3.809889      6.613792
  C      -5.052431     -4.551865      7.815394
  O      -4.624252     -5.590211      8.251705
  Cl     -6.431139     -3.694392      8.715096
  H      -2.032745     -3.266016     -0.970038
  H      -1.054380     -1.025156     -1.220795
  H      -1.009518      0.571735      0.693886
  H      -1.868206     -0.132113      2.917709
  H      -3.075124     -1.972385      5.434572
  H      -6.355547     -7.748420      5.895987
  H      -8.584390     -7.138697      6.734216
  H      -9.544680     -4.881445      6.260625
  H      -8.234482     -3.217240      4.994530
  H      -6.684899     -1.876529      4.771713
  H       0.426417     -5.968106      5.384531
  H       1.007071     -5.434478      7.689635
  H      -0.584324     -4.158970      9.141435
  H      -2.806993     -3.529396      8.261930
  H      -5.430141     -3.023209      6.343037
  N      -5.351238     -5.022667      2.100075
  H      -6.206710     -5.474762      2.414255
  H      -5.396988     -4.735447      1.129711
74
Coordinates from ORCA-job orca E -7299.024044844153
  N      -3.114201     -4.183956      1.410489
  C      -3.283827     -5.133391      0.317825
  C      -3.597491     -6.542713      0.857920
  N      -3.062618     -6.604913      2.230704
  C      -3.563598     -7.762859      3.029082
  C      -4.123479     -7.381957      4.415634
  N      -4.768202     -6.080783      4.380768
  Mo     -3.854328     -4.583493      3.340140
  N      -1.963807     -5.312447      4.183864
  C      -1.012298     -6.138836      3.457149
  C      -1.591179     -6.558349      2.133019
  H      -0.766974     -7.030677      4.061934
  H      -0.066456     -5.593943      3.290934
  H      -1.203177     -7.541702      1.816961
  H      -1.326059     -5.829428      1.362644
  H      -4.836349     -8.165830      4.709747
  H      -3.318297     -7.372448      5.167592
  H      -4.337844     -8.271006      2.439067
  H      -2.741691     -8.480480      3.175464
  H      -2.377611     -5.205428     -0.304350
  H      -4.080681     -4.807421     -0.375749
  H      -3.116481     -7.310768      0.227857
  H      -4.669560     -6.740529      0.914252
  C      -2.462823     -3.025278      1.146731
  C      -1.946670     -2.620692     -0.109501
  C      -1.406539     -1.352944     -0.250306
  C      -1.377004     -0.447507      0.831107
  C      -1.850669     -0.833766      2.069746
  C      -2.344684     -2.141979      2.255946
  N      -2.817741     -2.630677      3.452071
  C      -2.397709     -2.035564      4.592207
  C      -1.079851     -1.598964      4.942375
  O      -0.771044     -0.940774      5.910052
  Cl      0.299064     -2.316940      3.915107
  C      -5.985215     -5.827816      4.935970
  C      -6.758499     -6.756239      5.673708
  C      -8.014277     -6.411960      6.145249
  C      -8.551901     -5.136247      5.887999
  C      -7.809828     -4.195266      5.195961
  C      -6.499755     -4.492406      4.756085
  N      -5.692743     -3.595604      4.075539
  C      -6.000957     -2.287628      4.040405
  C      -5.620322     -1.426855      2.970073
  O      -5.166837     -1.663399      1.871901
  Cl     -5.987529      0.334891      3.426548
  C      -1.583276     -5.105135      5.474438
  C      -0.315676     -5.477651      6.008479
  C       0.027227     -5.165612      7.312422
  C      -0.864539     -4.462132      8.142582
  C      -2.113892     -4.120428      7.663952
  C      -2.508759     -4.472380      6.353895
  N      -3.719719     -4.101425      5.821180
  C      -4.731037     -3.824525      6.643229
  C      -5.031598     -4.583175      7.841199
  O      -4.583503     -5.617481      8.265337
  Cl     -6.423437     -3.760571      8.750339
  H      -2.015878     -3.276726     -0.975357
  H      -1.039290     -1.035973     -1.227870
  H      -1.006276      0.566827      0.682621
  H      -1.874517     -0.132746      2.903735
  H      -3.098870     -1.968988      5.420172
  H      -6.357120     -7.744975      5.890329
  H      -8.591100     -7.140693      6.715948
  H      -9.553071     -4.884419      6.238650
  H      -8.236299     -3.215357      4.985007
  H      -6.679878     -1.873081      4.787877
  H       0.428229     -5.958046      5.379126
  H       1.020870     -5.427697      7.679247
  H      -0.561710     -4.154982      9.143827
  H      -2.792050     -3.526316      8.275258
  H      -5.440845     -3.048129      6.382252
  N      -5.357098     -5.004889      2.088909
  H      -6.217488     -5.449275      2.402419
  H      -5.408154     -4.704896      1.122030
74
Coordinates from ORCA-job orca E -7299.026040873821
  N      -3.109116     -4.190676      1.400331
  C      -3.269571     -5.145058      0.309297
  C      -3.591276     -6.549564      0.851273
  N      -3.070707     -6.609565      2.229368
  C      -3.585742     -7.762691      3.023294
  C      -4.119165     -7.375908      4.416776
  N      -4.759932     -6.072197      4.383856
  Mo     -3.862451     -4.578502      3.326304
  N      -1.963847     -5.307265      4.189124
  C      -1.020941     -6.148279      3.468550
  C      -1.597892     -6.569240      2.143542
  H      -0.787383     -7.039766      4.078904
  H      -0.067276     -5.617630      3.299581
  H      -1.212246     -7.555509      1.833365
  H      -1.324467     -5.844593      1.372007
  H      -4.832237     -8.155272      4.721839
  H      -3.304417     -7.368287      5.158134
  H      -4.382969     -8.243801      2.441448
  H      -2.780489     -8.503027      3.150694
  H      -2.357199     -5.203984     -0.305196
  H      -4.061876     -4.820550     -0.390539
  H      -3.108671     -7.321148      0.226222
  H      -4.665653     -6.743014      0.889624
  C      -2.458286     -3.031021      1.137473
  C      -1.937929     -2.627819     -0.117575
  C      -1.398099     -1.359842     -0.259159
  C      -1.372821     -0.452582      0.820459
  C      -1.850457     -0.837602      2.058154
  C      -2.343670     -2.145719      2.245377
  N      -2.822161     -2.630906      3.441687
  C      -2.416139     -2.027502      4.581444
  C      -1.104914     -1.575297      4.939217
  O      -0.812022     -0.909015      5.906342
  Cl      0.287847     -2.286463      3.929488
  C      -5.979783     -5.822617      4.938632
  C      -6.754626     -6.750806      5.673947
  C      -8.012133     -6.405757      6.142935
  C      -8.548552     -5.130756      5.883836
  C      -7.803602     -4.189323      5.193776
  C      -6.493207     -4.488230      4.758438
  N      -5.677466     -3.590879      4.087872
  C      -5.988475     -2.282073      4.052601
  C      -5.614174     -1.420473      2.981688
  O      -5.158105     -1.654701      1.883710
  Cl     -5.985833      0.340318      3.438508
  C      -1.581284     -5.093227      5.478092
  C      -0.309905     -5.463933      6.007193
  C       0.040910     -5.153352      7.309056
  C      -0.845987     -4.453099      8.147330
  C      -2.098836     -4.114685      7.676764
  C      -2.501994     -4.463909      6.368074
  N      -3.717490     -4.087557      5.850993
  C      -4.735166     -3.843122      6.669619
  C      -5.036266     -4.624110      7.855823
  O      -4.579889     -5.660262      8.264905
  Cl     -6.460299     -3.846159      8.751490
  H      -2.003958     -3.285073     -0.982778
  H      -1.028296     -1.044526     -1.236339
  H      -1.003870      0.562333      0.671421
  H      -1.879356     -0.134479      2.890258
  H      -3.123382     -1.966215      5.404434
  H      -6.355067     -7.739979      5.892131
  H      -8.590151     -7.134631      6.712287
  H      -9.551094     -4.878582      6.230471
  H      -8.228723     -3.209144      4.981008
  H      -6.663395     -1.871170      4.805489
  H       0.431640     -5.942416      5.373640
  H       1.037832     -5.414013      7.668150
  H      -0.536366     -4.145971      9.146517
  H      -2.776071     -3.522752      8.291378
  H      -5.460404     -3.080245      6.409174
  N      -5.363109     -4.990056      2.075088
  H      -6.227815     -5.427522      2.388360
  H      -5.420571     -4.675400      1.112482
74
Coordinates from ORCA-job orca E -7299.027861827717
  N      -3.104600     -4.196808      1.391667
  C      -3.257185     -5.156112      0.301876
  C      -3.586148     -6.555192      0.846224
  N      -3.080283     -6.612554      2.229293
  C      -3.608818     -7.760946      3.018813
  C      -4.115657     -7.368898      4.418648
  N      -4.753977     -6.063801      4.386035
  Mo     -3.871060     -4.573105      3.312849
  N      -1.965914     -5.301530      4.195365
  C      -1.032049     -6.156713      3.481034
  C      -1.606464     -6.577897      2.155315
  H      -0.810528     -7.047868      4.096765
  H      -0.070620     -5.640727      3.309359
  H      -1.223089     -7.567006      1.851087
  H      -1.324780     -5.857332      1.382916
  H      -4.826761     -8.144712      4.736728
  H      -3.290659     -7.360473      5.148304
  H      -4.428156     -8.213758      2.445220
  H      -2.820947     -8.523263      3.126974
  H      -2.337202     -5.202323     -0.302239
  H      -4.044309     -4.831808     -0.403930
  H      -3.101112     -7.330427      0.227111
  H      -4.662178     -6.744942      0.866990
  C      -2.453449     -3.036687      1.130022
  C      -1.927937     -2.634931     -0.123413
  C      -1.387426     -1.367092     -0.265135
  C      -1.366852     -0.458175      0.812746
  C      -1.850114     -0.841594      2.048975
  C      -2.343482     -2.149245      2.236656
  N      -2.829596     -2.630854      3.432348
  C      -2.439025     -2.020433      4.572623
  C      -1.135597     -1.552349      4.940242
  O      -0.860575     -0.874559      5.904685
  Cl      0.272342     -2.247821      3.944172
  C      -5.979319     -5.819910      4.934080
  C      -6.759253     -6.749015      5.661597
  C      -8.021606     -6.404295      6.119824
  C      -8.556541     -5.130509      5.855558
  C      -7.805302     -4.187588      5.172942
  C      -6.491426     -4.487070      4.751131
  N      -5.663580     -3.589670      4.094080
  C      -5.979382     -2.280430      4.057207
  C      -5.618111     -1.418518      2.982969
  O      -5.171256     -1.650539      1.880643
  Cl     -6.008136      0.339459      3.436231
  C      -1.579191     -5.081961      5.482118
  C      -0.303368     -5.452362      6.003096
  C       0.057442     -5.148004      7.303484
  C      -0.824120     -4.455988      8.154155
  C      -2.081010     -4.119340      7.694128
  C      -2.492341     -4.458010      6.385057
  N      -3.711909     -4.073581      5.888045
  C      -4.727424     -3.856110      6.709714
  C      -5.008037     -4.644427      7.898918
  O      -4.522014     -5.666507      8.307560
  Cl     -6.425564     -3.883349      8.816008
  H      -1.990798     -3.293116     -0.988144
  H      -1.013917     -1.053538     -1.241478
  H      -0.998647      0.556979      0.663619
  H      -1.884562     -0.136201      2.878929
  H      -3.153657     -1.965722      5.389536
  H      -6.362006     -7.738416      5.883023
  H      -8.603829     -7.133825      6.683995
  H      -9.562895     -4.879310      6.191693
  H      -8.228642     -3.207707      4.955271
  H      -6.650251     -1.873960      4.815865
  H       0.434291     -5.927267      5.362380
  H       1.057876     -5.408888      7.652629
  H      -0.507540     -4.154580      9.152877
  H      -2.758556     -3.534871      8.316049
  H      -5.467138     -3.104890      6.455369
  N      -5.370311     -4.977300      2.059163
  H      -6.238734     -5.408867      2.371928
  H      -5.433523     -4.646705      1.101580
74
Coordinates from ORCA-job orca E -7299.029571039240
  N      -3.100165     -4.203300      1.380942
  C      -3.245899     -5.167208      0.291891
  C      -3.580495     -6.561527      0.839768
  N      -3.089232     -6.615552      2.227912
  C      -3.631580     -7.759015      3.013499
  C      -4.110431     -7.361779      4.419909
  N      -4.747350     -6.055804      4.387565
  Mo     -3.877294     -4.569550      3.297537
  N      -1.967577     -5.294054      4.201879
  C      -1.042928     -6.164056      3.493850
  C      -1.614281     -6.585894      2.166886
  H      -0.833849     -7.054631      4.115098
  H      -0.073775     -5.663258      3.319539
  H      -1.232761     -7.577739      1.868876
  H      -1.324297     -5.869408      1.393800
  H      -4.816853     -8.134722      4.754767
  H      -3.273122     -7.349920      5.135105
  H      -4.472479     -8.182254      2.448626
  H      -2.862209     -8.542942      3.101865
  H      -2.317430     -5.204013     -0.299687
  H      -4.027796     -4.843205     -0.419510
  H      -3.092465     -7.340342      0.227075
  H      -4.657498     -6.748392      0.844925
  C      -2.449100     -3.042533      1.120256
  C      -1.919820     -2.641663     -0.131863
  C      -1.379916     -1.373399     -0.273892
  C      -1.364697     -0.462851      0.802276
  C      -1.852605     -0.845185      2.037317
  C      -2.344066     -2.153105      2.225832
  N      -2.837556     -2.632140      3.420986
  C      -2.464545     -2.015982      4.563238
  C      -1.170267     -1.533724      4.946481
  O      -0.917103     -0.846235      5.910183
  Cl      0.257596     -2.219042      3.974869
  C      -5.975549     -5.814935      4.932644
  C      -6.759096     -6.741808      5.657934
  C      -8.022120     -6.392259      6.112990
  C      -8.552985     -5.118100      5.845759
  C      -7.796888     -4.177095      5.164305
  C      -6.483326     -4.482194      4.748175
  N      -5.644258     -3.588510      4.097647
  C      -5.962319     -2.278343      4.058827
  C      -5.614564     -1.416998      2.980182
  O      -5.174729     -1.647065      1.874718
  Cl     -6.010276      0.339813      3.434683
  C      -1.577112     -5.067665      5.486968
  C      -0.295505     -5.435173      5.998277
  C       0.076649     -5.136549      7.296526
  C      -0.799617     -4.454415      8.160428
  C      -2.061951     -4.122438      7.712923
  C      -2.483636     -4.451567      6.404452
  N      -3.708560     -4.060467      5.928820
  C      -4.725775     -3.873031      6.748855
  C      -4.998961     -4.678061      7.931445
  O      -4.505119     -5.702591      8.322568
  Cl     -6.452939     -3.969038      8.829910
  H      -1.979891     -3.300599     -0.996286
  H      -1.003583     -1.061076     -1.249573
  H      -0.998265      0.552918      0.652947
  H      -1.893031     -0.137382      2.864903
  H      -3.189227     -1.969487      5.371743
  H      -6.365886     -7.732486      5.881170
  H      -8.607581     -7.119649      6.676633
  H      -9.560172     -4.864360      6.177516
  H      -8.216621     -3.196474      4.942902
  H      -6.625927     -1.873861      4.824653
  H       0.438396     -5.904468      5.349237
  H       1.081630     -5.395358      7.634163
  H      -0.475248     -4.157746      9.158080
  H      -2.739037     -3.546222      8.343269
  H      -5.481996     -3.137497      6.494510
  N      -5.376305     -4.967794      2.041452
  H      -6.247655     -5.393794      2.354883
  H      -5.445613     -4.619594      1.090119
74
Coordinates from ORCA-job orca E -7299.031159216808
  N      -3.096997     -4.210897      1.368155
  C      -3.235394     -5.178588      0.279009
  C      -3.574232     -6.569560      0.831166
  N      -3.097631     -6.619238      2.224600
  C      -3.653594     -7.758134      3.006341
  C      -4.105635     -7.356729      4.418864
  N      -4.742205     -6.050268      4.386912
  Mo     -3.882856     -4.569970      3.279792
  N      -1.971112     -5.285670      4.208671
  C      -1.054496     -6.169792      3.506742
  C      -1.621575     -6.593114      2.177878
  H      -0.857038     -7.059381      4.133403
  H      -0.078436     -5.683138      3.330318
  H      -1.240613     -7.587156      1.886088
  H      -1.323664     -5.880219      1.404500
  H      -4.805114     -8.127767      4.772040
  H      -3.255519     -7.339349      5.118443
  H      -4.513792     -8.152236      2.449424
  H      -2.902692     -8.561947      3.075824
  H      -2.297477     -5.211428     -0.297626
  H      -4.011584     -4.855559     -0.438277
  H      -3.082022     -7.351318      0.225204
  H      -4.651819     -6.754854      0.823203
  C      -2.446291     -3.049040      1.108986
  C      -1.912923     -2.648160     -0.141250
  C      -1.373714     -1.379214     -0.282275
  C      -1.364071     -0.468081      0.793116
  C      -1.857268     -0.850211      2.026524
  C      -2.347560     -2.158273      2.214096
  N      -2.849685     -2.635679      3.407641
  C      -2.496652     -2.013400      4.552258
  C      -1.214507     -1.511210      4.950994
  O      -0.985391     -0.819983      5.918249
  Cl      0.235423     -2.178762      4.002489
  C      -5.972971     -5.811155      4.928474
  C      -6.761557     -6.735097      5.650897
  C      -8.023702     -6.377923      6.104642
  C      -8.547778     -5.101649      5.836912
  C      -7.785570     -4.163659      5.156586
  C      -6.473706     -4.477157      4.744080
  N      -5.621963     -3.589023      4.098304
  C      -5.938508     -2.277060      4.059435
  C      -5.599350     -1.414920      2.978732
  O      -5.163121     -1.641692      1.871397
  Cl     -5.993041      0.341255      3.439444
  C      -1.576920     -5.051861      5.492728
  C      -0.288088     -5.413816      5.992531
  C       0.096547     -5.122112      7.288391
  C      -0.774683     -4.453312      8.167388
  C      -2.043608     -4.128252      7.734622
  C      -2.477757     -4.446812      6.427026
  N      -3.709313     -4.050569      5.974559
  C      -4.730169     -3.893489      6.789904
  C      -5.000665     -4.717686      7.963185
  O      -4.486989     -5.734207      8.348223
  Cl     -6.464883     -4.038069      8.864907
  H      -1.969675     -3.307306     -1.005845
  H      -0.993869     -1.067298     -1.256768
  H      -0.998550      0.548189      0.644791
  H      -1.903116     -0.140930      2.852602
  H      -3.231916     -1.979935      5.351838
  H      -6.374391     -7.728295      5.873955
  H      -8.613680     -7.102176      6.667754
  H      -9.554654     -4.843471      6.166273
  H      -8.199774     -3.181106      4.933164
  H      -6.594039     -1.872735      4.832009
  H       0.442503     -5.874330      5.333739
  H       1.107109     -5.376635      7.612590
  H      -0.441932     -4.161991      9.163896
  H      -2.719374     -3.562176      8.375540
  H      -5.503171     -3.175042      6.532769
  N      -5.381769     -4.964252      2.021892
  H      -6.255232     -5.385375      2.337121
  H      -5.457033     -4.596390      1.077967
74
Coordinates from ORCA-job orca E -7299.032649647570
  N      -3.093597     -4.217108      1.354835
  C      -3.224587     -5.187971      0.266062
  C      -3.567351     -6.576082      0.823126
  N      -3.105605     -6.620269      2.222074
  C      -3.675343     -7.754367      3.000454
  C      -4.102126     -7.349609      4.418170
  N      -4.738439     -6.042938      4.386400
  Mo     -3.887286     -4.570659      3.260924
  N      -1.977438     -5.274883      4.215970
  C      -1.067611     -6.172253      3.520935
  C      -1.629087     -6.597723      2.190447
  H      -0.880730     -7.059966      4.153541
  H      -0.085625     -5.698316      3.343001
  H      -1.248060     -7.593697      1.905179
  H      -1.323297     -5.888354      1.416862
  H      -4.793084     -8.119293      4.790412
  H      -3.239322     -7.325059      5.101576
  H      -4.552276     -8.120468      2.450622
  H      -2.942638     -8.576152      3.052968
  H      -2.276953     -5.224468     -0.294068
  H      -3.994278     -4.866686     -0.457751
  H      -3.069773     -7.359992      0.224650
  H      -4.644466     -6.760416      0.805182
  C      -2.442172     -3.054924      1.097230
  C      -1.904305     -2.654590     -0.150903
  C      -1.364948     -1.385299     -0.290510
  C      -1.360433     -0.473895      0.784369
  C      -1.859156     -0.855578      2.016042
  C      -2.349104     -2.163503      2.202183
  N      -2.860639     -2.639634      3.393307
  C      -2.527014     -2.013427      4.541022
  C      -1.257407     -1.494158      4.956616
  O      -1.051779     -0.800059      5.927295
  Cl      0.214218     -2.141872      4.029643
  C      -5.971293     -5.805186      4.923067
  C      -6.765888     -6.726942      5.640891
  C      -8.026850     -6.362026      6.092895
  C      -8.543333     -5.082867      5.826074
  C      -7.774394     -4.147861      5.148213
  C      -6.464166     -4.469831      4.739612
  N      -5.600365     -3.588386      4.096314
  C      -5.916580     -2.275681      4.056116
  C      -5.595870     -1.415767      2.967438
  O      -5.183650     -1.643609      1.851772
  Cl     -5.999738      0.338517      3.427474
  C      -1.577517     -5.034462      5.498721
  C      -0.280454     -5.390162      5.983835
  C       0.118537     -5.109302      7.277466
  C      -0.747589     -4.459585      8.175005
  C      -2.023832     -4.141663      7.759591
  C      -2.471180     -4.443416      6.452170
  N      -3.708583     -4.040549      6.026409
  C      -4.729094     -3.910427      6.840159
  C      -4.989134     -4.749408      8.008513
  O      -4.464687     -5.765738      8.377397
  Cl     -6.476585     -4.113484      8.901344
  H      -1.958014     -3.314031     -1.015507
  H      -0.981141     -1.073769     -1.263539
  H      -0.994729      0.542474      0.637386
  H      -1.909765     -0.145015      2.840672
  H      -3.272714     -1.995171      5.331337
  H      -6.385378     -7.723206      5.861814
  H      -8.622291     -7.083260      6.654153
  H      -9.549727     -4.820213      6.153144
  H      -8.182793     -3.163164      4.923699
  H      -6.562265     -1.869504      4.835717
  H       0.446354     -5.838614      5.312938
  H       1.135170     -5.359310      7.585785
  H      -0.406402     -4.178095      9.171465
  H      -2.698228     -3.590666      8.415118
  H      -5.517855     -3.207322      6.584934
  N      -5.386619     -4.963173      2.002922
  H      -6.261448     -5.379552      2.320959
  H      -5.466692     -4.574752      1.067824
74
Coordinates from ORCA-job orca E -7299.034069930796
  N      -3.091457     -4.224365      1.339424
  C      -3.213742     -5.197835      0.251694
  C      -3.559738     -6.584677      0.814307
  N      -3.112515     -6.621681      2.219411
  C      -3.695656     -7.751531      2.994629
  C      -4.100451     -7.344092      4.416624
  N      -4.736981     -6.037246      4.384894
  Mo     -3.891321     -4.575520      3.239821
  N      -1.987155     -5.261871      4.223467
  C      -1.081301     -6.170999      3.536141
  C      -1.635658     -6.601271      2.204064
  H      -0.902534     -7.055420      4.175691
  H      -0.094961     -5.706832      3.357101
  H      -1.252738     -7.598644      1.926119
  H      -1.322474     -5.895465      1.430045
  H      -4.782157     -8.113062      4.806793
  H      -3.226161     -7.311393      5.084706
  H      -4.586542     -8.091777      2.450738
  H      -2.979961     -8.589034      3.032603
  H      -2.256975     -5.242108     -0.292219
  H      -3.976781     -4.879414     -0.479373
  H      -3.055050     -7.369762      0.223554
  H      -4.636631     -6.769551      0.789455
  C      -2.440449     -3.061157      1.082848
  C      -1.898665     -2.661448     -0.163373
  C      -1.361294     -1.390953     -0.302058
  C      -1.363399     -0.478867      0.772062
  C      -1.866512     -0.860386      2.002355
  C      -2.353961     -2.169125      2.187610
  N      -2.872634     -2.645888      3.376534
  C      -2.555978     -2.018161      4.528174
  C      -1.298386     -1.483618      4.959274
  O      -1.113944     -0.786539      5.932420
  Cl      0.193150     -2.103697      4.045439
  C      -5.972333     -5.799880      4.914566
  C      -6.774654     -6.720081      5.625667
  C      -8.034121     -6.347105      6.075642
  C      -8.541585     -5.063752      5.812007
  C      -7.764873     -4.131634      5.138339
  C      -6.456736     -4.462662      4.732679
  N      -5.580873     -3.587590      4.092316
  C      -5.893910     -2.273703      4.054444
  C      -5.578599     -1.411721      2.964611
  O      -5.163722     -1.636104      1.849845
  Cl     -5.959243      0.343865      3.438752
  C      -1.581478     -5.013223      5.505159
  C      -0.274905     -5.357859      5.974644
  C       0.138391     -5.088205      7.265990
  C      -0.724155     -4.462469      8.183033
  C      -2.008547     -4.155280      7.785688
  C      -2.469350     -4.439593      6.478705
  N      -3.713255     -4.033147      6.081387
  C      -4.732946     -3.931482      6.894172
  C      -4.979579     -4.786780      8.056986
  O      -4.437108     -5.797643      8.413361
  Cl     -6.477759     -4.186905      8.955487
  H      -1.948235     -3.322131     -1.027382
  H      -0.974025     -1.079417     -1.273740
  H      -0.998828      0.538090      0.626043
  H      -1.922041     -0.148524      2.825464
  H      -3.309457     -2.018589      5.311252
  H      -6.401775     -7.720126      5.842651
  H      -8.636335     -7.065604      6.633323
  H      -9.547254     -4.796135      6.137215
  H      -8.166758     -3.143966      4.914808
  H      -6.532797     -1.865205      4.838307
  H       0.449750     -5.789935      5.291053
  H       1.162061     -5.329996      7.557236
  H      -0.375283     -4.191232      9.179732
  H      -2.681826     -3.622300      8.457328
  H      -5.538668     -3.244900      6.643313
  N      -5.391633     -4.969637      1.983967
  H      -6.267420     -5.381545      2.305796
  H      -5.475613     -4.560350      1.058336
74
Coordinates from ORCA-job orca E -7299.035493161821
  N      -3.088327     -4.228773      1.322013
  C      -3.201454     -5.204515      0.236561
  C      -3.551553     -6.590206      0.803803
  N      -3.118913     -6.619873      2.215379
  C      -3.715325     -7.746108      2.986547
  C      -4.100457     -7.337463      4.412119
  N      -4.736165     -6.030047      4.381706
  Mo     -3.893581     -4.580952      3.216130
  N      -2.000566     -5.246566      4.230297
  C      -1.096213     -6.166021      3.551351
  C      -1.642112     -6.601911      2.217336
  H      -0.923982     -7.046353      4.198184
  H      -0.106628     -5.709327      3.372165
  H      -1.256892     -7.600384      1.946758
  H      -1.321052     -5.899516      1.443239
  H      -4.773272     -8.106002      4.817937
  H      -3.215951     -7.297550      5.065886
  H      -4.617925     -8.062235      2.447688
  H      -3.015568     -8.597456      3.011436
  H      -2.236705     -5.259112     -0.292263
  H      -3.957369     -4.889601     -0.502584
  H      -3.038900     -7.375207      0.220824
  H      -4.627621     -6.775378      0.774306
  C      -2.435718     -3.065498      1.067325
  C      -1.889445     -2.666170     -0.176544
  C      -1.350792     -1.395671     -0.312269
  C      -1.356006     -0.484941      0.762872
  C      -1.863315     -0.866960      1.991471
  C      -2.352342     -2.175328      2.173386
  N      -2.877974     -2.653670      3.358857
  C      -2.573452     -2.028710      4.514842
  C      -1.325254     -1.483477      4.957145
  O      -1.154135     -0.794346      5.938481
  Cl      0.179884     -2.082288      4.050697
  C      -5.971462     -5.791391      4.908154
  C      -6.779551     -6.710192      5.615070
  C      -8.034789     -6.329041      6.069090
  C      -8.533377     -5.040721      5.812262
  C      -7.751393     -4.111932      5.140022
  C      -6.447257     -4.452024      4.730900
  N      -5.564373     -3.583740      4.087462
  C      -5.875899     -2.270117      4.049617
  C      -5.574364     -1.411538      2.951544
  O      -5.187295     -1.642049      1.828749
  Cl     -5.968135      0.342179      3.418258
  C      -1.590481     -4.989508      5.511619
  C      -0.274179     -5.319773      5.965637
  C       0.152843     -5.061735      7.254631
  C      -0.706909     -4.463087      8.191220
  C      -1.999349     -4.168790      7.811766
  C      -2.473947     -4.435822      6.505680
  N      -3.724576     -4.027882      6.137994
  C      -4.743258     -3.957313      6.950090
  C      -4.977002     -4.834686      8.102424
  O      -4.415704     -5.839736      8.444233
  Cl     -6.484495     -4.273415      9.010375
  H      -1.936526     -3.327115     -1.040454
  H      -0.959500     -1.083418     -1.282036
  H      -0.989393      0.531618      0.619469
  H      -1.920335     -0.155603      2.814814
  H      -3.330040     -2.050989      5.294677
  H      -6.414020     -7.714356      5.825069
  H      -8.642060     -7.044890      6.624694
  H      -9.536605     -4.767748      6.140221
  H      -8.147637     -3.121197      4.920169
  H      -6.507170     -1.856599      4.836921
  H       0.449748     -5.731843      5.269477
  H       1.183847     -5.292470      7.528180
  H      -0.351138     -4.202101      9.188183
  H      -2.670926     -3.654989      8.499895
  H      -5.566560     -3.288036      6.706182
  N      -5.395688     -4.977060      1.964465
  H      -6.272556     -5.383523      2.290103
  H      -5.481904     -4.547596      1.049247
74
Coordinates from ORCA-job orca E -7299.036913277342
  N      -3.086479     -4.233840      1.303424
  C      -3.190257     -5.213684      0.222909
  C      -3.544930     -6.597510      0.795855
  N      -3.125079     -6.617860      2.213458
  C      -3.732491     -7.740999      2.982115
  C      -4.102333     -7.330695      4.410146
  N      -4.737124     -6.022831      4.379248
  Mo     -3.895379     -4.588986      3.191673
  N      -2.016565     -5.229145      4.236256
  C      -1.110719     -6.156564      3.566141
  C      -1.648366     -6.601254      2.231368
  H      -0.941205     -7.031191      4.221305
  H      -0.119840     -5.703804      3.385323
  H      -1.260100     -7.600767      1.969437
  H      -1.320599     -5.903177      1.455917
  H      -4.767816     -8.098955      4.828207
  H      -3.210240     -7.283821      5.052729
  H      -4.644418     -8.037395      2.447917
  H      -3.045991     -8.603391      2.996618
  H      -2.219001     -5.276761     -0.293478
  H      -3.939062     -4.903979     -0.525563
  H      -3.023805     -7.382427      0.221006
  H      -4.620830     -6.783454      0.763626
  C      -2.432381     -3.070418      1.049789
  C      -1.882627     -2.671811     -0.192374
  C      -1.344290     -1.400792     -0.326142
  C      -1.352986     -0.490686      0.749532
  C      -1.862548     -0.873062      1.977190
  C      -2.351453     -2.181723      2.156979
  N      -2.880454     -2.662923      3.339686
  C      -2.585026     -2.044239      4.500647
  C      -1.344439     -1.490593      4.952516
  O      -1.183235     -0.809019      5.940807
  Cl      0.171920     -2.061569      4.044315
  C      -5.973631     -5.782137      4.899255
  C      -6.788856     -6.700046      5.600366
  C      -8.041389     -6.312701      6.055040
  C      -8.531719     -5.019677      5.803923
  C      -7.743606     -4.093353      5.135743
  C      -6.442022     -4.440565      4.725217
  N      -5.552622     -3.576478      4.083016
  C      -5.859073     -2.262608      4.048890
  C      -5.556696     -1.403990      2.949176
  O      -5.174554     -1.638485      1.825924
  Cl     -5.935276      0.350692      3.417440
  C      -1.602657     -4.961882      5.516963
  C      -0.275830     -5.272019      5.955095
  C       0.164668     -5.024691      7.241522
  C      -0.693755     -4.458172      8.198143
  C      -1.994879     -4.181451      7.836501
  C      -2.482794     -4.431539      6.531543
  N      -3.741463     -4.026020      6.195937
  C      -4.755664     -3.989703      7.011647
  C      -4.965612     -4.888342      8.155220
  O      -4.384244     -5.887923      8.477397
  Cl     -6.486971     -4.377847      9.071819
  H      -1.927200     -3.333914     -1.055552
  H      -0.950098     -1.087734     -1.294468
  H      -0.985679      0.525867      0.607713
  H      -1.920459     -0.162183      2.800859
  H      -3.341020     -2.092158      5.280464
  H      -6.430196     -7.707924      5.804206
  H      -8.654463     -7.026785      6.606584
  H      -9.533519     -4.742185      6.132325
  H      -8.134913     -3.099799      4.919838
  H      -6.486504     -1.844420      4.836653
  H       0.448753     -5.659879      5.246050
  H       1.203717     -5.239913      7.496558
  H      -0.332208     -4.207439      9.195666
  H      -2.666228     -3.690363      8.541490
  H      -5.598199     -3.338942      6.781226
  N      -5.401830     -4.989617      1.947235
  H      -6.280195     -5.389529      2.277065
  H      -5.489463     -4.542667      1.040884
74
Coordinates from ORCA-job orca E -7299.038238292565
  N      -3.083857     -4.237897      1.282909
  C      -3.178597     -5.223845      0.209011
  C      -3.538650     -6.603768      0.787666
  N      -3.130798     -6.615445      2.210829
  C      -3.748189     -7.736074      2.976659
  C      -4.105701     -7.324132      4.406582
  N      -4.738100     -6.015208      4.374555
  Mo     -3.895669     -4.597870      3.165311
  N      -2.033678     -5.212778      4.240428
  C      -1.124433     -6.146564      3.579845
  C      -1.653928     -6.601176      2.244399
  H      -0.955955     -7.014878      4.243448
  H      -0.133220     -5.695953      3.396631
  H      -1.263936     -7.602334      1.992020
  H      -1.318670     -5.908605      1.467091
  H      -4.766652     -8.091666      4.832979
  H      -3.208243     -7.272863      5.041052
  H      -4.668102     -8.015178      2.446896
  H      -3.073656     -8.608020      2.981582
  H      -2.202245     -5.289308     -0.298083
  H      -3.920402     -4.920795     -0.549574
  H      -3.010144     -7.389345      0.220989
  H      -4.614505     -6.789489      0.751829
  C      -2.427297     -3.074926      1.031264
  C      -1.874915     -2.676036     -0.209349
  C      -1.336434     -1.404728     -0.340446
  C      -1.347002     -0.496142      0.736548
  C      -1.857204     -0.879879      1.963500
  C      -2.346336     -2.188820      2.140687
  N      -2.876785     -2.673919      3.320641
  C      -2.589728     -2.066574      4.487985
  C      -1.355571     -1.507033      4.950856
  O      -1.202919     -0.834974      5.946676
  Cl      0.170817     -2.049199      4.038683
  C      -5.974076     -5.770864      4.891521
  C      -6.794725     -6.686838      5.590030
  C      -8.042831     -6.293285      6.049909
  C      -8.524843     -4.995330      5.806191
  C      -7.732172     -4.072006      5.139719
  C      -6.434595     -4.426440      4.722384
  N      -5.543378     -3.566223      4.078422
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  C      -5.539995     -1.395944      2.944279
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  C       0.169114     -4.977290      7.229052
  C      -0.689747     -4.443684      8.203321
  C      -1.999193     -4.189378      7.857040
  C      -2.499010     -4.427765      6.553769
  N      -3.767283     -4.029422      6.250054
  C      -4.775111     -4.032233      7.070758
  C      -4.958649     -4.956794      8.200698
  O      -4.353413     -5.947633      8.503494
  Cl     -6.487405     -4.496321      9.134644
  H      -1.918335     -3.338409     -1.072416
  H      -0.940398     -1.090023     -1.307462
  H      -0.979112      0.520447      0.596549
  H      -1.914836     -0.170515      2.788474
  H      -3.343455     -2.142761      5.269041
  H      -6.442685     -7.698402      5.787027
  H      -8.659872     -7.005581      6.599302
  H      -9.523973     -4.712522      6.138078
  H      -8.118655     -3.075395      4.929261
  H      -6.466265     -1.829216      4.835647
  H       0.444197     -5.579486      5.225124
  H       1.216139     -5.172380      7.466934
  H      -0.324143     -4.199842      9.201028
  H      -2.672226     -3.720918      8.575851
  H      -5.637386     -3.401256      6.856254
  N      -5.408917     -5.002151      1.929171
  H      -6.289897     -5.393864      2.262028
  H      -5.497499     -4.541215      1.029908
74
Coordinates from ORCA-job orca E -7299.039352976234
  N      -3.082418     -4.242769      1.262488
  C      -3.168093     -5.237157      0.195862
  C      -3.532503     -6.611297      0.781854
  N      -3.136054     -6.614882      2.209826
  C      -3.762839     -7.732571      2.973381
  C      -4.109463     -7.318066      4.404913
  N      -4.738600     -6.007498      4.370325
  Mo     -3.896008     -4.606434      3.140088
  N      -2.048856     -5.199420      4.244571
  C      -1.136117     -6.138453      3.593803
  C      -1.658689     -6.603826      2.258093
  H      -0.967353     -7.000258      4.265622
  H      -0.145136     -5.689236      3.406677
  H      -1.268990     -7.607662      2.016605
  H      -1.315566     -5.918504      1.477700
  H      -4.768258     -8.083973      4.837517
  H      -3.208049     -7.264594      5.033412
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  H      -2.187367     -5.299492     -0.303734
  H      -3.903709     -4.942423     -0.572474
  H      -2.998922     -7.399900      0.223943
  H      -4.608423     -6.796176      0.740105
  C      -2.423926     -3.080197      1.012831
  C      -1.869912     -2.680029     -0.226468
  C      -1.331446     -1.408320     -0.354993
  C      -1.342711     -0.501591      0.723608
  C      -1.852721     -0.887391      1.950085
  C      -2.342683     -2.196251      2.124354
  N      -2.872990     -2.685171      3.302308
  C      -2.594117     -2.090242      4.475815
  C      -1.367873     -1.518528      4.947290
  O      -1.224234     -0.860661      5.953435
  Cl      0.167652     -2.027691      4.029196
  C      -5.974905     -5.760051      4.883300
  C      -6.801379     -6.673301      5.578917
  C      -8.046073     -6.273619      6.042349
  C      -8.519375     -4.971116      5.804849
  C      -7.721200     -4.050945      5.140705
  C      -6.427196     -4.412697      4.717574
  N      -5.533171     -3.556363      4.074275
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  C      -5.511498     -1.382517      2.949024
  O      -5.146828     -1.628559      1.822392
  Cl     -5.850238      0.373909      3.417236
  C      -1.637236     -4.904628      5.523852
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  C       0.171140     -4.925038      7.216809
  C      -0.688502     -4.422798      8.206615
  C      -2.005512     -4.192461      7.873898
  C      -2.516196     -4.422862      6.572605
  N      -3.794923     -4.033745      6.300082
  C      -4.793769     -4.078372      7.126992
  C      -4.947925     -5.029150      8.241415
  O      -4.320832     -6.012776      8.520414
  Cl     -6.484410     -4.623048      9.190701
  H      -1.912804     -3.341914     -1.090090
  H      -0.934284     -1.091760     -1.320971
  H      -0.974144      0.515049      0.585500
  H      -1.908997     -0.180261      2.777169
  H      -3.342954     -2.197691      5.259147
  H      -6.456211     -7.688322      5.770632
  H      -8.667228     -6.984241      6.589282
  H      -9.516260     -4.682653      6.138715
  H      -8.101976     -3.051174      4.934638
  H      -6.441066     -1.816480      4.840233
  H       0.437779     -5.499057      5.205752
  H       1.225348     -5.098619      7.439260
  H      -0.319487     -4.183796      9.204219
  H      -2.681750     -3.745838      8.603704
  H      -5.673993     -3.465444      6.930094
  N      -5.418249     -5.014103      1.912191
  H      -6.302431     -5.396990      2.247283
  H      -5.509442     -4.542010      1.017879
74
Coordinates from ORCA-job orca E -7299.040225553253
  N      -3.080188     -4.246725      1.243482
  C      -3.156245     -5.249721      0.183513
  C      -3.524627     -6.617135      0.776990
  N      -3.140891     -6.614618      2.209397
  C      -3.778881     -7.728619      2.969396
  C      -4.117306     -7.311732      4.401850
  N      -4.741153     -5.998512      4.364631
  Mo     -3.896727     -4.612548      3.116287
  N      -2.063229     -5.189848      4.249199
  C      -1.147019     -6.132967      3.608799
  C      -1.663148     -6.608844      2.272889
  H      -0.977305     -6.988505      4.288153
  H      -0.156620     -5.684349      3.417683
  H      -1.276210     -7.616399      2.043278
  H      -1.310857     -5.932262      1.488811
  H      -4.776258     -8.074906      4.838947
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  H      -4.712708     -7.974063      2.447017
  H      -3.129038     -8.618917      2.956136
  H      -2.171540     -5.307637     -0.309103
  H      -3.886143     -4.963494     -0.593603
  H      -2.988521     -7.411013      0.228943
  H      -4.600276     -6.799846      0.727266
  C      -2.418753     -3.085499      0.996547
  C      -1.863036     -2.683726     -0.241251
  C      -1.323770     -1.411984     -0.367048
  C      -1.335484     -0.507150      0.713100
  C      -1.845461     -0.895321      1.938939
  C      -2.336166     -2.204034      2.110298
  N      -2.867049     -2.696412      3.286418
  C      -2.597313     -2.114709      4.466630
  C      -1.379573     -1.533056      4.951174
  O      -1.249909     -0.878387      5.960776
  Cl      0.167590     -2.014699      4.036563
  C      -5.975754     -5.746721      4.877497
  C      -6.806696     -6.655461      5.573420
  C      -8.045951     -6.247513      6.044234
  C      -8.509320     -4.940180      5.813860
  C      -7.706540     -4.024807      5.148783
  C      -6.418040     -4.395979      4.716132
  N      -5.523284     -3.546408      4.067416
  C      -5.804448     -2.230884      4.043307
  C      -5.495696     -1.372798      2.941024
  O      -5.144240     -1.623779      1.811310
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  C      -1.655355     -4.876615      5.525990
  C      -0.299576     -5.104015      5.928134
  C       0.170191     -4.867454      7.204856
  C      -0.691254     -4.394857      8.207503
  C      -2.014904     -4.190144      7.886360
  C      -2.534663     -4.416480      6.587084
  N      -3.824386     -4.040823      6.343051
  C      -4.812732     -4.135867      7.176147
  C      -4.931614     -5.118481      8.268094
  O      -4.276036     -6.090644      8.518918
  Cl     -6.471048     -4.775941      9.239222
  H      -1.906133     -3.344248     -1.106024
  H      -0.925588     -1.093692     -1.332004
  H      -0.966273      0.509489      0.576936
  H      -1.901086     -0.190354      2.767880
  H      -3.344407     -2.247600      5.248750
  H      -6.469434     -7.674183      5.759571
  H      -8.670254     -6.955481      6.590925
  H      -9.502548     -4.644541      6.152252
  H      -8.080471     -3.021636      4.946533
  H      -6.415696     -1.803722      4.838948
  H       0.429503     -5.419310      5.188287
  H       1.230584     -5.017849      7.414290
  H      -0.319921     -4.158350      9.204770
  H      -2.695600     -3.764570      8.624610
  H      -5.712064     -3.543857      6.999727
  N      -5.428077     -5.022385      1.894770
  H      -6.315858     -5.396322      2.230683
  H      -5.522206     -4.542160      1.004328
74
Coordinates from ORCA-job orca E -7299.040894772292
  N      -3.079874     -4.253420      1.229834
  C      -3.146276     -5.264280      0.175535
  C      -3.518535     -6.625765      0.776708
  N      -3.146731     -6.618149      2.212499
  C      -3.796916     -7.727575      2.969385
  C      -4.131351     -7.307863      4.401899
  N      -4.748999     -5.991500      4.360669
  Mo     -3.899714     -4.619088      3.098700
  N      -2.075222     -5.185184      4.255627
  C      -1.156004     -6.130689      3.623972
  C      -1.668505     -6.618487      2.289345
  H      -0.982396     -6.979833      4.310276
  H      -0.167239     -5.681016      3.426842
  H      -1.285983     -7.630520      2.072638
  H      -1.307912     -5.952371      1.499863
  H      -4.792655     -8.067390      4.841677
  H      -3.226061     -7.256484      5.024804
  H      -4.735170     -7.957682      2.447615
  H      -3.159006     -8.626284      2.950181
  H      -2.158317     -5.319154     -0.311175
  H      -3.871631     -4.985674     -0.608620
  H      -2.983076     -7.427605      0.239183
  H      -4.594680     -6.805329      0.719063
  C      -2.415024     -3.093639      0.985561
  C      -1.856243     -2.691162     -0.250411
  C      -1.316044     -1.419448     -0.374221
  C      -1.329397     -0.515361      0.706540
  C      -1.841470     -0.904629      1.931434
  C      -2.333736     -2.212773      2.100298
  N      -2.866660     -2.707301      3.274885
  C      -2.608154     -2.132714      4.459877
  C      -1.403064     -1.528717      4.951523
  O      -1.289159     -0.880000      5.966459
  Cl      0.155742     -1.980720      4.041734
  C      -5.983948     -5.733481      4.869013
  C      -6.823314     -6.636158      5.562318
  C      -8.058989     -6.217914      6.034181
  C      -8.509765     -4.905408      5.808496
  C      -7.698687     -3.995864      5.145226
  C      -6.414698     -4.378311      4.708648
  N      -5.512644     -3.536383      4.060664
  C      -5.777894     -2.217894      4.041118
  C      -5.453908     -1.356685      2.945206
  O      -5.109904     -1.607788      1.813230
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  C       0.175257     -4.800020      7.188825
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  C      -2.018151     -4.179650      7.894058
  C      -2.547150     -4.409054      6.598283
  N      -3.849173     -4.054612      6.380501
  C      -4.823655     -4.207572      7.220968
  C      -4.896631     -5.223979      8.285946
  O      -4.209609     -6.183497      8.498303
  Cl     -6.432888     -4.957109      9.285716
  H      -1.898380     -3.350824     -1.116088
  H      -0.915511     -1.100677     -1.338090
  H      -0.958988      0.501073      0.571881
  H      -1.897231     -0.200939      2.761512
  H      -3.353206     -2.286986      5.240987
  H      -6.496229     -7.658770      5.745570
  H      -8.689535     -6.922135      6.578588
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  H      -6.385407     -1.788593      4.838564
  H       0.425022     -5.337999      5.167941
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  H      -2.703471     -3.774704      8.639782
  H      -5.743243     -3.639563      7.070508
  N      -5.440428     -5.030831      1.883606
  H      -6.331546     -5.396187      2.220634
  H      -5.538299     -4.545179      0.995332
74
Coordinates from ORCA-job orca E -7299.041451426153
  N      -3.076742     -4.256586      1.219531
  C      -3.132649     -5.273291      0.169585
  C      -3.511056     -6.629430      0.775559
  N      -3.152639     -6.620272      2.215137
  C      -3.817618     -7.724357      2.966527
  C      -4.151024     -7.302693      4.397914
  N      -4.760678     -5.982794      4.353055
  Mo     -3.903235     -4.620469      3.083468
  N      -2.087964     -5.185450      4.261985
  C      -1.166371     -6.133420      3.639991
  C      -1.674957     -6.631500      2.306441
  H      -0.990028     -6.976485      4.333004
  H      -0.178710     -5.683256      3.438440
  H      -1.300448     -7.649175      2.102984
  H      -1.303105     -5.977363      1.511972
  H      -4.816588     -8.057762      4.838821
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  H      -3.191196     -8.630917      2.943925
  H      -2.142131     -5.327653     -0.311916
  H      -3.853533     -5.000586     -0.620651
  H      -2.979226     -7.441012      0.249310
  H      -4.587581     -6.802891      0.709351
  C      -2.406009     -3.099576      0.979388
  C      -1.842095     -2.697286     -0.254038
  C      -1.298740     -1.426660     -0.375202
  C      -1.314044     -0.523242      0.706009
  C      -1.829896     -0.912954      1.929329
  C      -2.324661     -2.220275      2.095655
  N      -2.861894     -2.716631      3.268000
  C      -2.614269     -2.149876      4.458547
  C      -1.420546     -1.530290      4.960759
  O      -1.324443     -0.878110      5.974943
  Cl      0.150520     -1.961359      4.063207
  C      -5.991219     -5.716595      4.865468
  C      -6.834259     -6.611916      5.563367
  C      -8.062064     -6.181914      6.045416
  C      -8.500955     -4.864581      5.826085
  C      -7.686062     -3.962516      5.157071
  C      -6.410158     -4.357483      4.708681
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  C      -5.452056     -1.352868      2.919755
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  C      -1.682005     -4.825516      5.526752
  C      -0.309006     -4.984381      5.907230
  C       0.174296     -4.729524      7.174023
  C      -0.692228     -4.307814      8.195223
  C      -2.028412     -4.164396      7.896049
  C      -2.562255     -4.402214      6.603332
  N      -3.875689     -4.073981      6.404416
  C      -4.834069     -4.290419      7.250153
  C      -4.854371     -5.344016      8.279947
  O      -4.131039     -6.285637      8.447468
  Cl     -6.376611     -5.161066      9.318104
  H      -1.883389     -3.355690     -1.120753
  H      -0.894450     -1.108107     -1.337512
  H      -0.941535      0.492582      0.573122
  H      -1.887082     -0.209759      2.759570
  H      -3.361469     -2.316509      5.235610
  H      -6.516738     -7.638256      5.742373
  H      -8.695162     -6.881173      6.593127
  H      -9.485771     -4.550905      6.172767
  H      -8.041939     -2.951704      4.960110
  H      -6.366846     -1.771882      4.824153
  H       0.418459     -5.261249      5.150434
  H       1.244957     -4.824968      7.362098
  H      -0.317102     -4.063552      9.189171
  H      -2.719882     -3.779065      8.646665
  H      -5.774174     -3.749712      7.128567
  N      -5.451236     -5.031985      1.872816
  H      -6.345805     -5.388891      2.209763
  H      -5.551024     -4.544479      0.985184
74
Coordinates from ORCA-job orca E -7299.041905886779
  N      -3.072215     -4.264463      1.215153
  C      -3.118016     -5.284857      0.168085
  C      -3.505061     -6.637371      0.777208
  N      -3.159145     -6.627103      2.220006
  C      -3.839663     -7.724977      2.966473
  C      -4.176104     -7.300561      4.395673
  N      -4.777566     -5.977259      4.345569
  Mo     -3.907451     -4.622987      3.074295
  N      -2.097474     -5.190272      4.269299
  C      -1.174581     -6.140556      3.655252
  C      -1.682053     -6.650247      2.324060
  H      -0.994103     -6.977141      4.355150
  H      -0.188161     -5.690072      3.448043
  H      -1.316689     -7.673915      2.134563
  H      -1.299448     -6.009511      1.523495
  H      -4.847248     -8.050696      4.836453
  H      -3.271999     -7.256331      5.021495
  H      -4.780106     -7.930182      2.437934
  H      -3.222873     -8.638151      2.944816
  H      -2.125702     -5.342847     -0.309151
  H      -3.835170     -5.015216     -0.626553
  H      -2.979644     -7.460632      0.262775
  H      -4.582920     -6.802585      0.703786
  C      -2.396524     -3.109105      0.978841
  C      -1.826333     -2.708350     -0.251929
  C      -1.284534     -1.437001     -0.372840
  C      -1.308740     -0.531102      0.706025
  C      -1.829782     -0.919701      1.927744
  C      -2.320805     -2.228226      2.094741
  N      -2.862554     -2.726140      3.265420
  C      -2.631642     -2.160282      4.460202
  C      -1.454202     -1.518523      4.974473
  O      -1.383807     -0.856160      5.984162
  Cl      0.133947     -1.919682      4.095133
  C      -6.004807     -5.699207      4.858409
  C      -6.854215     -6.584392      5.561453
  C      -8.073781     -6.139066      6.051055
  C      -8.498237     -4.816789      5.834731
  C      -7.677137     -3.924399      5.159383
  C      -6.410197     -4.335062      4.701463
  N      -5.499345     -3.514536      4.039009
  C      -5.742662     -2.192518      4.012608
  C      -5.415055     -1.341670      2.909342
  O      -5.091341     -1.605522      1.774598
  Cl     -5.662202      0.421900      3.385193
  C      -1.689093     -4.804231      5.525399
  C      -0.309267     -4.925565      5.894925
  C       0.177891     -4.654101      7.156483
  C      -0.692523     -4.254173      8.183374
  C      -2.034367     -4.145527      7.894385
  C      -2.571251     -4.397649      6.605689
  N      -3.896313     -4.102477      6.420804
  C      -4.835629     -4.384197      7.269833
  C      -4.798656     -5.475595      8.258095
  O      -4.041189     -6.398765      8.369948
  Cl     -6.298664     -5.385141      9.337387
  H      -1.862775     -3.367822     -1.118130
  H      -0.875665     -1.119858     -1.333704
  H      -0.938488      0.485515      0.572828
  H      -1.893866     -0.213997      2.755193
  H      -3.385738     -2.333651      5.228980
  H      -6.548123     -7.614355      5.739676
  H      -8.711238     -6.830678      6.603456
  H      -9.476759     -4.491224      6.188337
  H      -8.022090     -2.909333      4.965033
  H      -6.338248     -1.750310      4.811925
  H       0.416550     -5.185752      5.130429
  H       1.252129     -4.718942      7.336834
  H      -0.316755     -4.000399      9.174751
  H      -2.731907     -3.780338      8.649752
  H      -5.795507     -3.872694      7.179818
  N      -5.461704     -5.033764      1.868094
  H      -6.358956     -5.382467      2.206558
  H      -5.562944     -4.546890      0.979910
74
Coordinates from ORCA-job orca E -7299.042191975239
  N      -3.065774     -4.269911      1.213822
  C      -3.100094     -5.291063      0.168239
  C      -3.499525     -6.641338      0.776150
  N      -3.166989     -6.631887      2.223191
  C      -3.862956     -7.724197      2.963023
  C      -4.204764     -7.298061      4.389299
  N      -4.798284     -5.971955      4.334522
  Mo     -3.913741     -4.621814      3.066725
  N      -2.110446     -5.196748      4.275300
  C      -1.186089     -6.149570      3.669773
  C      -1.691310     -6.669169      2.340526
  H      -1.003236     -6.979964      4.376566
  H      -0.200120     -5.699510      3.459428
  H      -1.336002     -7.698725      2.164373
  H      -1.296035     -6.041705      1.535370
  H      -4.881969     -8.043844      4.828215
  H      -3.303337     -7.257159      5.019700
  H      -4.801201     -7.921595      2.427661
  H      -3.253489     -8.642435      2.945288
  H      -2.106074     -5.355722     -0.304353
  H      -3.812519     -5.021765     -0.630947
  H      -2.980757     -7.475688      0.273309
  H      -4.579042     -6.795693      0.695591
  C      -2.384297     -3.115903      0.982669
  C      -1.804479     -2.717305     -0.244023
  C      -1.260065     -1.446724     -0.362198
  C      -1.291067     -0.540173      0.715849
  C      -1.820265     -0.927384      1.934668
  C      -2.314199     -2.235008      2.099057
  N      -2.862948     -2.734199      3.266352
  C      -2.641905     -2.170106      4.464626
  C      -1.478249     -1.505805      4.981135
  O      -1.420304     -0.859003      6.001929
  Cl      0.117827     -1.873804      4.104259
  C      -6.018611     -5.681827      4.853987
  C      -6.869470     -6.557961      5.567090
  C      -8.078111     -6.098870      6.071024
  C      -8.490653     -4.772438      5.859231
  C      -7.668455     -3.889377      5.171864
  C      -6.412283     -4.313902      4.699274
  N      -5.498597     -3.504184      4.026162
  C      -5.736061     -2.181295      3.991519
  C      -5.411975     -1.341142      2.878786
  O      -5.090864     -1.615813      1.746068
  Cl     -5.636521      0.428553      3.345279
  C      -1.697802     -4.784611      5.522062
  C      -0.313182     -4.867833      5.880807
  C       0.175553     -4.577018      7.137575
  C      -0.699231     -4.196712      8.168119
  C      -2.046111     -4.123803      7.888665
  C      -2.583017     -4.393982      6.604314
  N      -3.918867     -4.137429      6.428651
  C      -4.836854     -4.479397      7.279467
  C      -4.740462     -5.599978      8.230125
  O      -3.953087     -6.503330      8.286151
  Cl     -6.209687     -5.595742      9.351487
  H      -1.835506     -3.377484     -1.109908
  H      -0.843263     -1.131296     -1.320227
  H      -0.918547      0.475915      0.584756
  H      -1.888389     -0.220267      2.760559
  H      -3.396723     -2.353115      5.230110
  H      -6.572102     -7.590838      5.743323
  H      -8.715951     -6.782924      6.632380
  H      -9.460904     -4.435997      6.225298
  H      -8.005556     -2.870940      4.981613
  H      -6.325101     -1.728706      4.789706
  H       0.411161     -5.112886      5.109565
  H       1.252128     -4.611107      7.311962
  H      -0.323871     -3.930958      9.156571
  H      -2.749286     -3.778330      8.648325
  H      -5.814503     -3.997298      7.222319
  N      -5.471382     -5.030759      1.863067
  H      -6.370777     -5.371666      2.203630
  H      -5.571872     -4.546168      0.973304
74
Coordinates from ORCA-job orca E -7299.042318277941
  N      -3.056282     -4.277269      1.214819
  C      -3.083427     -5.296332      0.168665
  C      -3.496308     -6.645010      0.771486
  N      -3.174128     -6.637206      2.221626
  C      -3.881420     -7.726392      2.954891
  C      -4.227637     -7.300459      4.379389
  N      -4.814764     -5.971912      4.323195
  Mo     -3.917216     -4.623262      3.061688
  N      -2.119958     -5.204088      4.277693
  C      -1.195436     -6.159648      3.677250
  C      -1.699249     -6.684836      2.348782
  H      -1.012839     -6.986423      4.388481
  H      -0.208911     -5.711271      3.466147
  H      -1.350622     -7.718035      2.180923
  H      -1.294423     -6.065755      1.541838
  H      -4.909725     -8.043773      4.814976
  H      -3.328820     -7.263129      5.013957
  H      -4.817310     -7.917841      2.413447
  H      -3.276855     -8.648004      2.940628
  H      -2.087591     -5.368178     -0.298885
  H      -3.790305     -5.023423     -0.634437
  H      -2.981318     -7.485385      0.275438
  H      -4.576807     -6.789124      0.685262
  C      -2.371672     -3.123184      0.988492
  C      -1.784541     -2.725567     -0.234854
  C      -1.243713     -1.453259     -0.351820
  C      -1.286965     -0.544686      0.723903
  C      -1.821709     -0.931765      1.940394
  C      -2.309114     -2.241768      2.105067
  N      -2.863576     -2.742494      3.269412
  C      -2.656497     -2.177928      4.470762
  C      -1.502279     -1.510528      5.003480
  O      -1.464993     -0.853171      6.018937
  Cl      0.108026     -1.858077      4.145544
  C      -6.029352     -5.671340      4.847811
  C      -6.882760     -6.541147      5.566410
  C      -8.082209     -6.071225      6.082109
  C      -8.483104     -4.740323      5.877305
  C      -7.659226     -3.864088      5.182299
  C      -6.412189     -4.299817      4.697503
  N      -5.495029     -3.498073      4.017736
  C      -5.726416     -2.174138      3.978872
  C      -5.398672     -1.341539      2.861272
  O      -5.079234     -1.623729      1.730103
  Cl     -5.627424      0.431589      3.314826
  C      -1.701941     -4.773331      5.517316
  C      -0.314487     -4.827696      5.865811
  C       0.176601     -4.519972      7.118087
  C      -0.699026     -4.151905      8.151783
  C      -2.049803     -4.106871      7.881973
  C      -2.588136     -4.394114      6.602830
  N      -3.931557     -4.169451      6.434441
  C      -4.834447     -4.545111      7.286096
  C      -4.699146     -5.673597      8.224087
  O      -3.892242     -6.560873      8.254508
  Cl     -6.143303     -5.710358      9.374842
  H      -1.808341     -3.387467     -1.099604
  H      -0.821609     -1.138104     -1.307604
  H      -0.919085      0.473159      0.593181
  H      -1.899416     -0.221947      2.762942
  H      -3.422810     -2.359292      5.224709
  H      -6.593208     -7.576873      5.738802
  H      -8.721389     -6.749528      6.648918
  H      -9.446088     -4.394935      6.254035
  H      -7.989524     -2.842387      4.997980
  H      -6.311474     -1.713125      4.774953
  H       0.408113     -5.063134      5.089706
  H       1.254578     -4.531403      7.286337
  H      -0.322450     -3.874143      9.136488
  H      -2.754530     -3.773661      8.645617
  H      -5.824720     -4.086991      7.244997
  N      -5.475429     -5.027267      1.856803
  H      -6.376285     -5.361669      2.199462
  H      -5.573348     -4.542783      0.966836
74
Coordinates from ORCA-job orca E -7299.042418086278
  N      -3.047603     -4.280345      1.216775
  C      -3.071918     -5.297354      0.169538
  C      -3.493921     -6.645376      0.767278
  N      -3.176337     -6.638868      2.218872
  C      -3.887620     -7.727498      2.948541
  C      -4.235000     -7.301974      4.372537
  N      -4.820069     -5.972537      4.316680
  Mo     -3.917124     -4.621807      3.060495
  N      -2.123320     -5.207733      4.276999
  C      -1.200218     -6.166616      3.679319
  C      -1.702082     -6.691708      2.350348
  H      -1.021963     -6.992926      4.392267
  H      -0.211754     -5.721567      3.470783
  H      -1.356231     -7.726181      2.184714
  H      -1.291997     -6.074894      1.544484
  H      -4.919232     -8.044800      4.805730
  H      -3.337333     -7.266762      5.008962
  H      -4.822368     -7.917129      2.404633
  H      -3.284456     -8.650114      2.936256
  H      -2.074801     -5.372918     -0.294716
  H      -3.774601     -5.020593     -0.636223
  H      -2.979051     -7.486309      0.272322
  H      -4.575012     -6.783301      0.677762
  C      -2.365132     -3.124204      0.991451
  C      -1.775170     -2.726883     -0.230615
  C      -1.239429     -1.452382     -0.348237
  C      -1.290907     -0.542026      0.725508
  C      -1.827689     -0.929117      1.941095
  C      -2.309423     -2.241089      2.106903
  N      -2.864534     -2.742445      3.270622
  C      -2.661642     -2.173957      4.471436
  C      -1.511394     -1.501723      5.005632
  O      -1.477783     -0.851794      6.026382
  Cl      0.101220     -1.828636      4.144481
  C      -6.031520     -5.669057      4.845723
  C      -6.884019     -6.538404      5.566609
  C      -8.079597     -6.066466      6.089374
  C      -8.477230     -4.733854      5.889533
  C      -7.654690     -3.858710      5.191107
  C      -6.411418     -4.296911      4.699301
  N      -5.494806     -3.497096      4.015521
  C      -5.728483     -2.173400      3.972460
  C      -5.400551     -1.345210      2.851579
  O      -5.074866     -1.631258      1.723152
  Cl     -5.642418      0.429418      3.294081
  C      -1.702147     -4.776025      5.515897
  C      -0.315105     -4.828475      5.862333
  C       0.176472     -4.517851      7.114228
  C      -0.698299     -4.148801      8.147568
  C      -2.050132     -4.107318      7.879849
  C      -2.587994     -4.398999      6.602304
  N      -3.932389     -4.182800      6.433992
  C      -4.833010     -4.559632      7.285667
  C      -4.689811     -5.678420      8.236201
  O      -3.878384     -6.561120      8.272766
  Cl     -6.130256     -5.710405      9.390635
  H      -1.793219     -3.390957     -1.093799
  H      -0.815189     -1.137199     -1.303070
  H      -0.927490      0.477380      0.594238
  H      -1.910889     -0.217835      2.761828
  H      -3.429696     -2.356045      5.223190
  H      -6.595991     -7.575164      5.735279
  H      -8.718027     -6.743735      6.658300
  H      -9.436960     -4.386184      6.272426
  H      -7.984306     -2.836040      5.011217
  H      -6.313904     -1.708959      4.766122
  H       0.407262     -5.065045      5.086284
  H       1.254557     -4.528056      7.281849
  H      -0.321010     -3.868213      9.131215
  H      -2.754081     -3.774900      8.644467
  H      -5.827681     -4.110916      7.241204
  N      -5.472843     -5.021711      1.851787
  H      -6.374281     -5.352662      2.196062
  H      -5.568203     -4.537245      0.961666
74
Coordinates from ORCA-job orca E -7299.042525765863
  N      -3.035106     -4.284758      1.219795
  C      -3.056309     -5.296486      0.169456
  C      -3.494675     -6.643461      0.756499
  N      -3.183914     -6.641695      2.210377
  C      -3.900223     -7.731372      2.932915
  C      -4.248956     -7.309123      4.357147
  N      -4.830580     -5.978537      4.303711
  Mo     -3.919180     -4.622110      3.057928
  N      -2.132142     -5.212561      4.272227
  C      -1.211750     -6.178016      3.678980
  C      -1.710332     -6.702151      2.348522
  H      -1.041768     -7.003882      4.394475
  H      -0.219924     -5.739142      3.474913
  H      -1.368208     -7.738107      2.184947
  H      -1.292462     -6.087479      1.545284
  H      -4.936926     -8.051979      4.784532
  H      -3.353116     -7.279051      4.996539
  H      -4.833604     -7.917641      2.385650
  H      -3.298794     -8.655109      2.921493
  H      -2.057022     -5.377283     -0.289502
  H      -3.750060     -5.010945     -0.641538
  H      -2.978735     -7.483081      0.261019
  H      -4.576324     -6.770270      0.661541
  C      -2.354931     -3.125884      0.998659
  C      -1.758870     -2.727423     -0.220058
  C      -1.225066     -1.451624     -0.334233
  C      -1.283579     -0.542471      0.740033
  C      -1.824962     -0.931415      1.952977
  C      -2.306253     -2.244016      2.115172
  N      -2.866492     -2.746510      3.275424
  C      -2.664164     -2.180891      4.478435
  C      -1.512063     -1.518969      5.018976
  O      -1.474620     -0.892210      6.054547
  Cl      0.099126     -1.828827      4.149927
  C      -6.038010     -5.671690      4.838775
  C      -6.889464     -6.542558      5.560291
  C      -8.080419     -6.070402      6.092862
  C      -8.474336     -4.735134      5.902384
  C      -7.653661     -3.859127      5.202658
  C      -6.414392     -4.297936      4.700958
  N      -5.498438     -3.497476      4.015782
  C      -5.735944     -2.174469      3.967591
  C      -5.407233     -1.351799      2.842833
  O      -5.069097     -1.642528      1.719196
  Cl     -5.668783      0.424152      3.269424
  C      -1.704638     -4.775799      5.508798
  C      -0.316533     -4.813208      5.846549
  C       0.179390     -4.485174      7.093215
  C      -0.691490     -4.112928      8.127366
  C      -2.046304     -4.089005      7.868778
  C      -2.587800     -4.402242      6.599056
  N      -3.936102     -4.210577      6.435437
  C      -4.832131     -4.579731      7.292527
  C      -4.677615     -5.670282      8.277851
  O      -3.860980     -6.546245      8.336980
  Cl     -6.113226     -5.674333      9.437611
  H      -1.770228     -3.392383     -1.082611
  H      -0.795933     -1.134973     -1.286376
  H      -0.921767      0.477891      0.611630
  H      -1.912411     -0.221081      2.774111
  H      -3.433240     -2.366267      5.228470
  H      -6.603128     -7.581033      5.720764
  H      -8.718071     -6.748152      6.662059
  H      -9.429902     -4.385674      6.293920
  H      -7.983447     -2.835005      5.032414
  H      -6.323426     -1.706378      4.757212
  H       0.404764     -5.050254      5.069657
  H       1.258556     -4.484319      7.254099
  H      -0.310732     -3.817161      9.105205
  H      -2.747308     -3.755773      8.635589
  H      -5.834284     -4.148784      7.237424
  N      -5.471652     -5.012339      1.841393
  H      -6.374146     -5.336206      2.189087
  H      -5.562945     -4.526985      0.951419
74
Coordinates from ORCA-job orca E -7299.042569406046
  N      -3.027463     -4.286141      1.219341
  C      -3.047975     -5.297712      0.168312
  C      -3.492946     -6.643034      0.752803
  N      -3.185658     -6.643765      2.207194
  C      -3.905682     -7.732589      2.926779
  C      -4.253278     -7.311064      4.351587
  N      -4.831963     -5.979446      4.299056
  Mo     -3.917124     -4.621609      3.055738
  N      -2.133297     -5.215024      4.269877
  C      -1.216348     -6.186597      3.680821
  C      -1.712813     -6.709090      2.349168
  H      -1.053553     -7.012546      4.397833
  H      -0.221502     -5.753821      3.479237
  H      -1.374060     -7.746269      2.186604
  H      -1.290468     -6.095824      1.547233
  H      -4.943374     -8.052677      4.777625
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  H      -3.737147     -5.009472     -0.645713
  H      -2.977978     -7.483636      0.258046
  H      -4.574620     -6.764698      0.654495
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  C      -1.750725     -2.727622     -0.218351
  C      -1.219990     -1.450559     -0.332630
  C      -1.283385     -0.540423      0.740466
  C      -1.826562     -0.929721      1.952510
  C      -2.304411     -2.243492      2.115026
  N      -2.867771     -2.745182      3.274136
  C      -2.674617     -2.175386      4.476715
  C      -1.528207     -1.508910      5.023935
  O      -1.500453     -0.880194      6.058701
  Cl      0.089109     -1.808698      4.163826
  C      -6.037050     -5.671336      4.838632
  C      -6.886844     -6.541299      5.563207
  C      -8.075392     -6.068194      6.100287
  C      -8.468715     -4.732559      5.910877
  C      -7.649482     -3.857491      5.208606
  C      -6.412145     -4.297371      4.702629
  N      -5.497513     -3.497956      4.015715
  C      -5.736151     -2.175318      3.964497
  C      -5.408868     -1.353833      2.838728
  O      -5.068582     -1.644767      1.715775
  Cl     -5.673866      0.422225      3.262978
  C      -1.705801     -4.780404      5.507184
  C      -0.317438     -4.817106      5.843633
  C       0.179809     -4.485650      7.088890
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  C      -2.045005     -4.090216      7.866472
  C      -2.587621     -4.408165      6.598482
  N      -3.936529     -4.220339      6.436200
  C      -4.830613     -4.587831      7.295074
  C      -4.671252     -5.668330      8.291579
  O      -3.849536     -6.538388      8.361275
  Cl     -6.107911     -5.665735      9.449609
  H      -1.758731     -3.393360     -1.080328
  H      -0.789882     -1.133591     -1.284211
  H      -0.924363      0.480863      0.611785
  H      -1.918086     -0.219130      2.772981
  H      -3.448387     -2.359752      5.222101
  H      -6.601257     -7.580221      5.721886
  H      -8.711885     -6.745506      6.671256
  H      -9.422417     -4.381767      6.305720
  H      -7.978909     -2.832937      5.040424
  H      -6.324630     -1.707307      4.753383
  H       0.403707     -5.054843      5.066855
  H       1.259243     -4.483295      7.247871
  H      -0.308106     -3.811744      9.099534
  H      -2.745399     -3.755699      8.633337
  H      -5.836155     -4.165746      7.233866
  N      -5.469105     -5.006710      1.835057
  H      -6.372962     -5.325415      2.184086
  H      -5.559971     -4.521290      0.944664
74
Coordinates from ORCA-job orca E -7299.042616825740
  N      -3.017922     -4.288193      1.219025
  C      -3.037253     -5.299112      0.166657
  C      -3.489924     -6.642741      0.748686
  N      -3.188404     -6.648102      2.204180
  C      -3.915722     -7.735189      2.918401
  C      -4.262582     -7.315660      4.344145
  N      -4.835804     -5.981976      4.293217
  Mo     -3.914624     -4.623352      3.052909
  N      -2.135749     -5.218768      4.268336
  C      -1.223857     -6.200101      3.687024
  C      -1.716504     -6.720235      2.352990
  H      -1.072392     -7.026006      4.406431
  H      -0.224297     -5.776751      3.489634
  H      -1.382449     -7.759160      2.191952
  H      -1.287639     -6.108835      1.553025
  H      -4.956247     -8.055103      4.767946
  H      -3.366513     -7.295428      4.984018
  H      -4.850840     -7.908898      2.369737
  H      -3.323429     -8.664640      2.900947
  H      -2.035440     -5.382938     -0.286709
  H      -3.720383     -5.007182     -0.651101
  H      -2.977412     -7.485776      0.255323
  H      -4.571795     -6.757817      0.645553
  C      -2.342169     -3.127083      1.000779
  C      -1.743177     -2.725690     -0.215644
  C      -1.216633     -1.446850     -0.328926
  C      -1.285140     -0.536774      0.743950
  C      -1.829699     -0.928126      1.954795
  C      -2.303736     -2.243401      2.116114
  N      -2.868054     -2.747191      3.274198
  C      -2.678804     -2.179910      4.478741
  C      -1.536542     -1.509685      5.030973
  O      -1.515107     -0.884150      6.067870
  Cl      0.082995     -1.793740      4.171366
  C      -6.038618     -5.671284      4.836532
  C      -6.888035     -6.538889      5.564205
  C      -8.074018     -6.063233      6.104721
  C      -8.465327     -4.726870      5.915838
  C      -7.645998     -3.853784      5.211650
  C      -6.410689     -4.296156      4.702223
  N      -5.496053     -3.498663      4.014679
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  C      -5.405200     -1.354211      2.835064
  O      -5.064294     -1.643633      1.711950
  Cl     -5.672578      0.421370      3.260344
  C      -1.709066     -4.780792      5.505043
  C      -0.319579     -4.810470      5.838714
  C       0.179712     -4.468901      7.080263
  C      -0.688804     -4.091284      8.114696
  C      -2.044605     -4.080038      7.861723
  C      -2.589412     -4.409727      6.597419
  N      -3.940961     -4.235094      6.438823
  C      -4.829042     -4.605990      7.302302
  C      -4.655760     -5.675487      8.308677
  O      -3.823564     -6.534529      8.386671
  Cl     -6.091374     -5.675809      9.467838
  H      -1.747251     -3.391255     -1.077837
  H      -0.786015     -1.128360     -1.279783
  H      -0.929246      0.485678      0.615938
  H      -1.925721     -0.218463      2.775471
  H      -3.452287     -2.369178      5.223029
  H      -6.604641     -7.578519      5.722133
  H      -8.710180     -6.739376      6.677442
  H      -9.417147     -4.373631      6.313055
  H      -7.973472     -2.828366      5.044816
  H      -6.323960     -1.708548      4.747828
  H       0.401119     -5.048716      5.061635
  H       1.259663     -4.459922      7.235479
  H      -0.305999     -3.783331      9.087898
  H      -2.744999     -3.745082      8.628498
  H      -5.840275     -4.198347      7.237188
  N      -5.466844     -5.000984      1.826768
  H      -6.372973     -5.311778      2.177482
  H      -5.558186     -4.515593      0.936211
74
Coordinates from ORCA-job orca E -7299.042655826340
  N      -3.009315     -4.290579      1.219829
  C      -3.028126     -5.299432      0.165556
  C      -3.488090     -6.641371      0.744157
  N      -3.192317     -6.652783      2.200475
  C      -3.928002     -7.737872      2.908154
  C      -4.273634     -7.322250      4.335324
  N      -4.840591     -5.985949      4.288065
  Mo     -3.913297     -4.626027      3.051128
  N      -2.138277     -5.223740      4.266685
  C      -1.233088     -6.216310      3.693691
  C      -1.721289     -6.731061      2.355987
  H      -1.096383     -7.043607      4.414339
  H      -0.227415     -5.804854      3.503051
  H      -1.390848     -7.771069      2.194190
  H      -1.286716     -6.119122      1.559379
  H      -4.971006     -8.059700      4.756265
  H      -3.377367     -7.309743      4.975375
  H      -4.864269     -7.900892      2.358091
  H      -3.342986     -8.671812      2.884803
  H      -2.024785     -5.386082     -0.284303
  H      -3.705158     -5.002717     -0.655404
  H      -2.979210     -7.486822      0.250963
  H      -4.570133     -6.750033      0.636147
  C      -2.334396     -3.129111      1.004045
  C      -1.731737     -2.726528     -0.210229
  C      -1.206525     -1.447041     -0.321744
  C      -1.279834     -0.536787      0.750729
  C      -1.828297     -0.929089      1.959599
  C      -2.301166     -2.244900      2.119000
  N      -2.870597     -2.749184      3.274780
  C      -2.688254     -2.182316      4.480408
  C      -1.552187     -1.505303      5.038301
  O      -1.540737     -0.879133      6.074962
  Cl      0.072671     -1.782856      4.188995
  C      -6.041565     -5.673477      4.834336
  C      -6.890854     -6.539403      5.563920
  C      -8.074644     -6.061609      6.107367
  C      -8.463876     -4.724374      5.920324
  C      -7.644145     -3.852574      5.215261
  C      -6.410595     -4.297011      4.702726
  N      -5.495799     -3.501294      4.014334
  C      -5.731540     -2.178592      3.957245
  C      -5.403301     -1.355289      2.833697
  O      -5.064280     -1.641789      1.709399
  Cl     -5.665942      0.420063      3.265040
  C      -1.711148     -4.780489      5.501755
  C      -0.319925     -4.801148      5.830862
  C       0.182473     -4.446825      7.067268
  C      -0.684326     -4.064604      8.102089
  C      -2.040743     -4.064043      7.854378
  C      -2.588899     -4.408587      6.595157
  N      -3.942942     -4.248784      6.440422
  C      -4.823892     -4.621499      7.310736
  C      -4.636957     -5.681400      8.324440
  O      -3.795190     -6.530375      8.408307
  Cl     -6.072551     -5.688875      9.483853
  H      -1.731708     -3.391876     -1.072670
  H      -0.773259     -1.128070     -1.271257
  H      -0.924775      0.486072      0.623761
  H      -1.929261     -0.220021      2.780177
  H      -3.463845     -2.373689      5.221684
  H      -6.609581     -7.579683      5.721422
  H      -8.710383     -6.737092      6.681379
  H      -9.414199     -4.369347      6.319535
  H      -7.969509     -2.826310      5.049534
  H      -6.323059     -1.712042      4.744858
  H       0.399296     -5.040666      5.052675
  H       1.263020     -4.430215      7.217629
  H      -0.299486     -3.745692      9.070939
  H      -2.740745     -3.727784      8.620989
  H      -5.839364     -4.224679      7.244605
  N      -5.465532     -4.994288      1.819330
  H      -6.374166     -5.296218      2.171848
  H      -5.557942     -4.508192      0.929009
74
Coordinates from ORCA-job orca E -7299.042688477600
  N      -3.000391     -4.292633      1.221433
  C      -3.017843     -5.299108      0.165549
  C      -3.485263     -6.640016      0.740008
  N      -3.195338     -6.656726      2.197231
  C      -3.939273     -7.739776      2.898472
  C      -4.284114     -7.328399      4.326719
  N      -4.845236     -5.989564      4.283405
  Mo     -3.911604     -4.628837      3.049756
  N      -2.140661     -5.228581      4.265918
  C      -1.243065     -6.233426      3.702043
  C      -1.725421     -6.740709      2.359679
  H      -1.124174     -7.062849      4.423412
  H      -0.230207     -5.836036      3.520939
  H      -1.397459     -7.781204      2.195585
  H      -1.285126     -6.126465      1.567944
  H      -4.984792     -8.064317      4.744688
  H      -3.388088     -7.322780      4.967372
  H      -4.876048     -7.892631      2.346370
  H      -3.361041     -8.677881      2.870267
  H      -2.012872     -5.389857     -0.280295
  H      -3.689164     -4.997703     -0.658371
  H      -2.980023     -7.487517      0.246409
  H      -4.567690     -6.743000      0.627672
  C      -2.327795     -3.129758      1.006977
  C      -1.722420     -2.725997     -0.205611
  C      -1.200857     -1.444956     -0.316221
  C      -1.280567     -0.534051      0.755311
  C      -1.831327     -0.927602      1.962799
  C      -2.300155     -2.244872      2.121338
  N      -2.871162     -2.751477      3.275802
  C      -2.690706     -2.186969      4.482669
  C      -1.559118     -1.502862      5.042281
  O      -1.554426     -0.876201      6.078722
  Cl      0.068471     -1.771073      4.197131
  C      -6.043787     -5.675039      4.833207
  C      -6.892600     -6.539637      5.565044
  C      -8.073827     -6.059764      6.112093
  C      -8.461039     -4.721593      5.927420
  C      -7.641612     -3.851056      5.220506
  C      -6.410311     -4.297569      4.704013
  N      -5.496126     -3.503793      4.012732
  C      -5.730984     -2.181210      3.952867
  C      -5.401068     -1.357459      2.830210
  O      -5.062348     -1.642641      1.705649
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  C      -0.320723     -4.793037      5.825409
  C       0.183118     -4.429076      7.058220
  C      -0.683181     -4.043155      8.092576
  C      -2.039876     -4.050255      7.848187
  C      -2.589531     -4.406010      6.592568
  N      -3.945243     -4.258701      6.439939
  C      -4.819802     -4.633250      7.316473
  C      -4.620267     -5.685465      8.335060
  O      -3.767665     -6.523079      8.424598
  Cl     -6.058152     -5.706780      9.492184
  H      -1.717334     -3.391713     -1.067788
  H      -0.765605     -1.125312     -1.264625
  H      -0.928361      0.489834      0.628632
  H      -1.938037     -0.218558      2.782634
  H      -3.465256     -2.382590      5.223777
  H      -6.613271     -7.580508      5.722107
  H      -8.708814     -6.734548      6.687830
  H      -9.409600     -4.365038      6.329464
  H      -7.965154     -2.824039      5.055891
  H      -6.324111     -1.714148      4.739026
  H       0.397541     -5.034133      5.046666
  H       1.263926     -4.407035      7.205990
  H      -0.297298     -3.715881      9.058226
  H      -2.740095     -3.713117      8.614260
  H      -5.838788     -4.245383      7.250376
  N      -5.462903     -4.987902      1.812372
  H      -6.373965     -5.281184      2.166380
  H      -5.555279     -4.500879      0.922390
74
Coordinates from ORCA-job orca E -7299.042743098237
  N      -2.984717     -4.297476      1.225052
  C      -2.998809     -5.299019      0.166275
  C      -3.481034     -6.637931      0.731498
  N      -3.202159     -6.663150      2.190500
  C      -3.960620     -7.742679      2.880332
  C      -4.303957     -7.339489      4.310401
  N      -4.854740     -5.996124      4.274809
  Mo     -3.909726     -4.634618      3.046910
  N      -2.145661     -5.237816      4.264872
  C      -1.263589     -6.265704      3.717376
  C      -1.734348     -6.757388      2.365825
  H      -1.179930     -7.099278      4.439093
  H      -0.237093     -5.896851      3.555966
  H      -1.409913     -7.798176      2.195977
  H      -1.283315     -6.137365      1.584665
  H      -5.010529     -8.073073      4.722352
  H      -3.409069     -7.345791      4.952780
  H      -4.897811     -7.877335      2.324326
  H      -3.394308     -8.687945      2.844268
  H      -1.990703     -5.398017     -0.271326
  H      -3.659822     -4.988946     -0.662833
  H      -2.981977     -7.488428      0.236697
  H      -4.563849     -6.730751      0.611461
  C      -2.313933     -3.132860      1.013692
  C      -1.701943     -2.728337     -0.195325
  C      -1.185700     -1.444918     -0.304175
  C      -1.277603     -0.532577      0.765128
  C      -1.833933     -0.927355      1.969778
  C      -2.296105     -2.246895      2.127009
  N      -2.872886     -2.756326      3.278074
  C      -2.702088     -2.191972      4.485815
  C      -1.583155     -1.489771      5.050265
  O      -1.596208     -0.860634      6.085188
  Cl      0.053367     -1.738315      4.219956
  C      -6.048403     -5.677181      4.831120
  C      -6.897101     -6.539670      5.566181
  C      -8.072976     -6.055530      6.120585
  C      -8.455150     -4.715081      5.941804
  C      -7.635893     -3.846819      5.231830
  C      -6.409678     -4.297849      4.707099
  N      -5.496016     -3.507985      4.009966
  C      -5.729428     -2.185730      3.945882
  C      -5.397052     -1.363010      2.823041
  O      -5.057918     -1.648156      1.698917
  Cl     -5.657138      0.413637      3.257656
  C      -1.714236     -4.776278      5.493506
  C      -0.320440     -4.774365      5.811565
  C       0.186792     -4.393771      7.037739
  C      -0.677874     -4.004964      8.072920
  C      -2.035544     -4.027655      7.836854
  C      -2.588710     -4.402736      6.588319
  N      -3.947219     -4.276967      6.441209
  C      -4.809751     -4.655762      7.328675
  C      -4.588666     -5.697394      8.352632
  O      -3.717797     -6.515458      8.449071
  Cl     -6.029754     -5.747671      9.506137
  H      -1.687344     -3.395245     -1.056479
  H      -0.745271     -1.124787     -1.250042
  H      -0.930002      0.492938      0.638921
  H      -1.951044     -0.217526      2.787512
  H      -3.478088     -2.394882      5.223362
  H      -6.622161     -7.581999      5.721105
  H      -8.707194     -6.728829      6.698982
  H      -9.399751     -4.355355      6.350267
  H      -7.955515     -2.818015      5.070981
  H      -6.324449     -1.715999      4.728938
  H       0.395055     -5.015333      5.029937
  H       1.268071     -4.359545      7.179505
  H      -0.289296     -3.663243      9.032485
  H      -2.735328     -3.690514      8.603350
  H      -5.834294     -4.282123      7.265449
  N      -5.459312     -4.976819      1.800343
  H      -6.374398     -5.254534      2.157035
  H      -5.550363     -4.486327      0.912112
74
Coordinates from ORCA-job orca E -7299.042833105520
  N      -2.961451     -4.303989      1.231587
  C      -2.969123     -5.298855      0.168986
  C      -3.473749     -6.634791      0.719384
  N      -3.211643     -6.671086      2.181065
  C      -3.990405     -7.745839      2.854528
  C      -4.332885     -7.354325      4.286793
  N      -4.868708     -6.004560      4.262284
  Mo     -3.906996     -4.642484      3.042837
  N      -2.153011     -5.251271      4.264369
  C      -1.297039     -6.314586      3.742424
  C      -1.747395     -6.780942      2.376393
  H      -1.270804     -7.153067      4.463234
  H      -0.250637     -5.992864      3.614828
  H      -1.427508     -7.821594      2.196554
  H      -1.279048     -6.151009      1.613528
  H      -5.048787     -8.084458      4.688641
  H      -3.441203     -7.377840      4.933157
  H      -4.927017     -7.855525      2.292300
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  H      -1.956375     -5.409566     -0.255603
  H      -3.614869     -4.976961     -0.667844
  H      -2.982325     -7.488504      0.222538
  H      -4.556677     -6.713508      0.587994
  C      -2.293554     -3.136535      1.024376
  C      -1.673007     -2.731115     -0.179930
  C      -1.166048     -1.443690     -0.287222
  C      -1.276295     -0.529174      0.778288
  C      -1.839426     -0.925724      1.979380
  C      -2.290166     -2.248985      2.135953
  N      -2.873591     -2.762928      3.282576
  C      -2.716457     -2.198464      4.491242
  C      -1.616122     -1.470862      5.062467
  O      -1.654638     -0.839023      6.095209
  Cl      0.032662     -1.688315      4.252814
  C      -6.054372     -5.678771      4.829175
  C      -6.902509     -6.538600      5.569131
  C      -8.070416     -6.048766      6.134626
  C      -8.445314     -4.705063      5.964444
  C      -7.626808     -3.839904      5.249749
  C      -6.408470     -4.297276      4.712332
  N      -5.496381     -3.513051      4.005437
  C      -5.729909     -2.191702      3.934080
  C      -5.393350     -1.372939      2.809149
  O      -5.049407     -1.661118      1.687654
  Cl     -5.658262      0.405852      3.237004
  C      -1.714604     -4.772575      5.485161
  C      -0.319051     -4.746660      5.788967
  C       0.193120     -4.344759      7.006182
  C      -0.668883     -3.956478      8.044199
  C      -2.028096     -4.001324      7.821426
  C      -2.586142     -4.400537      6.582583
  N      -3.947694     -4.301314      6.443055
  C      -4.794221     -4.685895      7.344392
  C      -4.545331     -5.713384      8.374906
  O      -3.649132     -6.502530      8.482414
  Cl     -5.992187     -5.807056      9.519985
  H      -1.644529     -3.400233     -1.038978
  H      -0.718944     -1.122666     -1.229662
  H      -0.937176      0.499171      0.652000
  H      -1.971618     -0.214103      2.793170
  H      -3.493872     -2.413287      5.223752
  H      -6.633610     -7.583034      5.720111
  H      -8.703609     -6.719958      6.716667
  H      -9.383783     -4.340905      6.382945
  H      -7.941352     -2.808646      5.095290
  H      -6.328535     -1.716609      4.710919
  H       0.391556     -4.983408      5.001037
  H       1.274790     -4.291430      7.138533
  H      -0.276278     -3.596583      8.995473
  H      -2.726464     -3.665488      8.589784
  H      -5.825990     -4.331866      7.284858
  N      -5.453286     -4.961006      1.782938
  H      -6.373731     -5.216950      2.142582
  H      -5.540065     -4.464106      0.897729
74
Coordinates from ORCA-job orca E -7299.042942890311
  N      -2.940203     -4.310083      1.238780
  C      -2.939354     -5.299516      0.173229
  C      -3.465101     -6.632569      0.708719
  N      -3.220146     -6.677399      2.173017
  C      -4.017535     -7.748204      2.830984
  C      -4.362477     -7.367577      4.264492
  N      -4.883501     -6.011683      4.250280
  Mo     -3.905425     -4.650404      3.038448
  N      -2.160588     -5.263237      4.265229
  C      -1.332655     -6.361325      3.769508
  C      -1.759642     -6.802278      2.389192
  H      -1.366273     -7.201793      4.488263
  H      -0.268667     -6.089541      3.679583
  H      -1.443017     -7.842161      2.198834
  H      -1.273484     -6.161792      1.646413
  H      -5.088760     -8.094107      4.654291
  H      -3.476488     -7.407806      4.917216
  H      -4.951800     -7.836265      2.261302
  H      -3.481062     -8.710376      2.778693
  H      -1.922021     -5.420617     -0.237690
  H      -3.570647     -4.968104     -0.671148
  H      -2.978780     -7.488198      0.210394
  H      -4.547570     -6.699603      0.566277
  C      -2.274021     -3.140239      1.035699
  C      -1.645615     -2.734486     -0.164299
  C      -1.147412     -1.443307     -0.270547
  C      -1.274845     -0.526945      0.791112
  C      -1.844123     -0.924838      1.989054
  C      -2.284028     -2.251450      2.145611
  N      -2.873825     -2.769357      3.287810
  C      -2.731849     -2.203329      4.496579
  C      -1.650823     -1.450803      5.074402
  O      -1.714627     -0.816685      6.104571
  Cl      0.009684     -1.636449      4.285389
  C      -6.060878     -5.678319      4.827381
  C      -6.908910     -6.535548      5.571849
  C      -8.068657     -6.040019      6.148281
  C      -8.435453     -4.692863      5.986838
  C      -7.617489     -3.830865      5.267670
  C      -6.407637     -4.294830      4.717141
  N      -5.497233     -3.516291      4.000000
  C      -5.731537     -2.195955      3.921973
  C      -5.390199     -1.382892      2.793681
  O      -5.038437     -1.676628      1.676360
  Cl     -5.663358      0.398292      3.209051
  C      -1.713280     -4.767601      5.476687
  C      -0.316515     -4.713900      5.761623
  C       0.201596     -4.295275      6.970806
  C      -0.656679     -3.916339      8.015394
  C      -2.017689     -3.983940      7.808506
  C      -2.581507     -4.401159      6.578380
  N      -3.945552     -4.322848      6.447041
  C      -4.777850     -4.715247      7.359018
  C      -4.505082     -5.733532      8.391564
  O      -3.586515     -6.495661      8.507149
  Cl     -5.956561     -5.871960      9.527274
  H      -1.604428     -3.405932     -1.020919
  H      -0.694113     -1.121467     -1.209736
  H      -0.944117      0.504101      0.664527
  H      -1.989745     -0.210925      2.798453
  H      -3.510858     -2.430777      5.223504
  H      -6.645986     -7.582088      5.718323
  H      -8.701475     -6.708812      6.733514
  H      -9.367322     -4.324032      6.415815
  H      -7.927001     -2.797097      5.120788
  H      -6.333498     -1.714292      4.691801
  H       0.386923     -4.938893      4.963198
  H       1.283222     -4.219427      7.091667
  H      -0.259414     -3.542988      8.959555
  H      -2.713176     -3.653070      8.581574
  H      -5.815578     -4.378122      7.304487
  N      -5.448268     -4.948722      1.766480
  H      -6.373257     -5.185604      2.127535
  H      -5.528305     -4.443789      0.885237
74
Coordinates from ORCA-job orca E -7299.043084061462
  N      -2.923346     -4.314116      1.246792
  C      -2.909700     -5.301114      0.180106
  C      -3.452800     -6.632053      0.701614
  N      -3.225125     -6.680363      2.168424
  C      -4.037158     -7.749690      2.813390
  C      -4.392450     -7.377276      4.245889
  N      -4.899468     -6.015689      4.239301
  Mo     -3.906228     -4.657158      3.033640
  N      -2.167666     -5.271529      4.268625
  C      -1.367990     -6.401801      3.799530
  C      -1.768153     -6.817995      2.405838
  H      -1.463245     -7.240908      4.515202
  H      -0.289649     -6.180265      3.753190
  H      -1.452358     -7.855958      2.203813
  H      -1.264791     -6.165389      1.685114
  H      -5.131443     -8.099928      4.619344
  H      -3.517294     -7.433024      4.910458
  H      -4.965950     -7.825140      2.233207
  H      -3.507821     -8.715859      2.761983
  H      -1.887522     -5.428713     -0.216099
  H      -3.528949     -4.965486     -0.671780
  H      -2.965656     -7.487002      0.203450
  H      -4.533966     -6.693188      0.548462
  C      -2.257516     -3.142457      1.047358
  C      -1.623093     -2.737449     -0.149505
  C      -1.133480     -1.442702     -0.256240
  C      -1.276390     -0.524556      0.801327
  C      -1.850169     -0.922870      1.997174
  C      -2.279366     -2.252573      2.155565
  N      -2.873794     -2.773433      3.294046
  C      -2.748840     -2.203119      4.501553
  C      -1.686948     -1.427560      5.085914
  O      -1.774765     -0.791764      6.113302
  Cl     -0.015367     -1.580332      4.316541
  C      -6.067988     -5.673553      4.826591
  C      -6.915806     -6.528218      5.576000
  C      -8.067224     -6.027374      6.163385
  C      -8.425482     -4.676752      6.009965
  C      -7.608532     -3.818098      5.285772
  C      -6.407984     -4.288699      4.721159
  N      -5.500471     -3.515800      3.992136
  C      -5.737978     -2.196833      3.907289
  C      -5.391683     -1.393351      2.772747
  O      -5.026034     -1.697691      1.662807
  Cl     -5.681998      0.390405      3.163215
  C      -1.708081     -4.761925      5.469268
  C      -0.311072     -4.679640      5.728492
  C       0.216002     -4.255585      6.932515
  C      -0.635634     -3.899233      7.989721
  C      -1.999294     -3.986019      7.801979
  C      -2.571476     -4.407268      6.577535
  N      -3.937017     -4.335592      6.453362
  C      -4.761306     -4.738267      7.368236
  C      -4.476413     -5.758808      8.394924
  O      -3.543326     -6.502703      8.513863
  Cl     -5.932806     -5.935487      9.518777
  H      -1.571257     -3.411805     -1.003071
  H      -0.675447     -1.120294     -1.192884
  H      -0.954680      0.509215      0.673662
  H      -2.006736     -0.205261      2.801109
  H      -3.529307     -2.444375      5.222500
  H      -6.657705     -7.576566      5.717501
  H      -8.700183     -6.693171      6.751807
  H      -9.349992     -4.302937      6.450343
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  H      -6.343127     -1.706604      4.668576
  H       0.380048     -4.884035      4.912968
  H       1.297071     -4.156097      7.039824
  H      -0.231533     -3.523708      8.930156
  H      -2.688348     -3.665233      8.584880
  H      -5.801901     -4.409351      7.319577
  N      -5.444902     -4.943914      1.751543
  H      -6.373480     -5.168606      2.110350
  H      -5.513043     -4.428158      0.875846
74
Coordinates from ORCA-job orca E -7299.043214481821
  N      -2.907665     -4.318118      1.251020
  C      -2.884215     -5.304033      0.182897
  C      -3.441706     -6.632093      0.694690
  N      -3.229757     -6.685445      2.163706
  C      -4.055043     -7.752631      2.796035
  C      -4.419930     -7.385523      4.227468
  N      -4.914134     -6.019399      4.225417
  Mo     -3.906458     -4.661526      3.027655
  N      -2.175248     -5.279967      4.269442
  C      -1.395420     -6.432206      3.820342
  C      -1.776204     -6.835788      2.418219
  H      -1.531201     -7.268094      4.533467
  H      -0.310490     -6.241638      3.802926
  H      -1.465077     -7.874203      2.211556
  H      -1.258553     -6.179573      1.710661
  H      -5.170325     -8.103431      4.587278
  H      -3.552919     -7.455897      4.901065
  H      -4.979482     -7.817752      2.207701
  H      -3.532316     -8.722260      2.743934
  H      -1.858234     -5.434914     -0.202073
  H      -3.491733     -4.964616     -0.675978
  H      -2.954090     -7.488472      0.199574
  H      -4.521428     -6.685069      0.530722
  C      -2.243110     -3.144885      1.056413
  C      -1.602625     -2.738623     -0.136736
  C      -1.119268     -1.441371     -0.242340
  C      -1.274772     -0.522590      0.812690
  C      -1.853856     -0.922398      2.005627
  C      -2.276086     -2.254298      2.163674
  N      -2.875800     -2.777287      3.298520
  C      -2.766433     -2.205774      4.506721
  C      -1.719599     -1.417110      5.101677
  O      -1.826101     -0.787223      6.131062
  Cl     -0.040812     -1.537535      4.345312
  C      -6.074186     -5.669411      4.823664
  C      -6.920392     -6.520083      5.580197
  C      -8.062533     -6.013361      6.180000
  C      -8.412827     -4.659796      6.032923
  C      -7.597643     -3.805279      5.302214
  C      -6.406111     -4.282351      4.723652
  N      -5.501402     -3.514926      3.985643
  C      -5.739703     -2.196735      3.892674
  C      -5.392260     -1.400252      2.753608
  O      -5.018806     -1.710745      1.647948
  Cl     -5.694095      0.384757      3.128271
  C      -1.707828     -4.757492      5.462397
  C      -0.310472     -4.653030      5.703674
  C       0.222675     -4.216095      6.900866
  C      -0.624026     -3.870026      7.965228
  C      -1.988857     -3.977390      7.793078
  C      -2.566478     -4.410801      6.575850
  N      -3.934514     -4.357433      6.459719
  C      -4.750214     -4.772123      7.375712
  C      -4.447173     -5.784344      8.406683
  O      -3.500425     -6.509683      8.529276
  Cl     -5.899695     -5.979674      9.530889
  H      -1.541899     -3.414144     -0.988753
  H      -0.657000     -1.117714     -1.176452
  H      -0.959065      0.513095      0.685627
  H      -2.019892     -0.203519      2.806409
  H      -3.548992     -2.457671      5.221597
  H      -6.667020     -7.570135      5.717189
  H      -8.694295     -6.675882      6.773343
  H      -9.329647     -4.280140      6.484240
  H      -7.898682     -2.766987      5.172560
  H      -6.346471     -1.701614      4.649190
  H       0.372232     -4.850160      4.878798
  H       1.302894     -4.098037      6.996960
  H      -0.215917     -3.486768      8.900812
  H      -2.673511     -3.664051      8.582872
  H      -5.796363     -4.461062      7.327933
  N      -5.441974     -4.938158      1.735921
  H      -6.373778     -5.152058      2.092597
  H      -5.502058     -4.414825      0.863805
74
Coordinates from ORCA-job orca E -7299.043370904125
  N      -2.904201     -4.313592      1.252441
  C      -2.861534     -5.308125      0.185614
  C      -3.417442     -6.636392      0.696779
  N      -3.222157     -6.686103      2.167646
  C      -4.049853     -7.759239      2.791707
  C      -4.452005     -7.388400      4.214969
  N      -4.933138     -6.018235      4.207143
  Mo     -3.913209     -4.660807      3.018441
  N      -2.180601     -5.279882      4.273795
  C      -1.412113     -6.445319      3.844761
  C      -1.770409     -6.842690      2.437101
  H      -1.584264     -7.278427      4.553067
  H      -0.324110     -6.268924      3.867148
  H      -1.463436     -7.880721      2.224264
  H      -1.242308     -6.181762      1.740546
  H      -5.223463     -8.098907      4.544632
  H      -3.607914     -7.475715      4.914331
  H      -4.961750     -7.842559      2.185957
  H      -3.514419     -8.722007      2.758154
  H      -1.829547     -5.422040     -0.186383
  H      -3.463038     -4.979998     -0.681438
  H      -2.910021     -7.487730      0.212944
  H      -4.493269     -6.696771      0.519025
  C      -2.241341     -3.139769      1.063250
  C      -1.600113     -2.730705     -0.128608
  C      -1.122382     -1.431664     -0.234741
  C      -1.284451     -0.513660      0.819816
  C      -1.865087     -0.915536      2.011359
  C      -2.283162     -2.249058      2.170358
  N      -2.883783     -2.771043      3.303490
  C      -2.792534     -2.195205      4.511426
  C      -1.752525     -1.410182      5.122983
  O      -1.867599     -0.794993      6.160327
  Cl     -0.070287     -1.499042      4.369295
  C      -6.082701     -5.657758      4.820483
  C      -6.923609     -6.502869      5.589530
  C      -8.055174     -5.991613      6.204538
  C      -8.398251     -4.635420      6.060604
  C      -7.588156     -3.786119      5.319823
  C      -6.407295     -4.268755      4.722171
  N      -5.511202     -3.506021      3.972971
  C      -5.754452     -2.188912      3.867150
  C      -5.409458     -1.405515      2.719652
  O      -5.016691     -1.727735      1.623103
  Cl     -5.743102      0.378150      3.058405
  C      -1.699462     -4.757053      5.461513
  C      -0.300165     -4.643683      5.675401
  C       0.248509     -4.215041      6.870165
  C      -0.585769     -3.891885      7.949963
  C      -1.954324     -4.005831      7.798375
  C      -2.545090     -4.423228      6.582952
  N      -3.913837     -4.358071      6.471580
  C      -4.743948     -4.786636      7.362354
  C      -4.456255     -5.804738      8.397925
  O      -3.518184     -6.538783      8.522492
  Cl     -5.908881     -5.962358      9.520626
  H      -1.536676     -3.406592     -0.980115
  H      -0.661288     -1.105561     -1.168520
  H      -0.974804      0.523998      0.694116
  H      -2.034776     -0.194948      2.809586
  H      -3.575556     -2.458771      5.221268
  H      -6.669708     -7.553371      5.721726
  H      -8.683934     -6.649364      6.806056
  H      -9.304659     -4.247779      6.526044
  H      -7.887773     -2.746060      5.202576
  H      -6.363520     -1.690358      4.619046
  H       0.364378     -4.834713      4.833460
  H       1.328807     -4.087841      6.952011
  H      -0.167725     -3.524594      8.887574
  H      -2.624901     -3.705313      8.605122
  H      -5.789741     -4.476949      7.303951
  N      -5.442523     -4.953023      1.718209
  H      -6.376961     -5.177595      2.059099
  H      -5.482172     -4.413930      0.854568
74
Coordinates from ORCA-job orca E -7299.043594049410
  N      -2.879825     -4.320071      1.256341
  C      -2.832141     -5.309787      0.185905
  C      -3.406879     -6.633544      0.686067
  N      -3.231025     -6.697069      2.158840
  C      -4.080446     -7.763122      2.761344
  C      -4.485726     -7.403802      4.185659
  N      -4.948500     -6.027934      4.188602
  Mo     -3.909326     -4.668072      3.012179
  N      -2.190135     -5.295030      4.271104
  C      -1.453370     -6.491380      3.868097
  C      -1.785502     -6.871921      2.449342
  H      -1.677597     -7.319050      4.568404
  H      -0.361402     -6.358106      3.922004
  H      -1.486163     -7.911425      2.232429
  H      -1.239053     -6.209324      1.768483
  H      -5.268393     -8.107543      4.502703
  H      -3.645852     -7.512898      4.888127
  H      -4.989741     -7.820520      2.148828
  H      -3.561958     -8.734759      2.714662
  H      -1.796264     -5.433198     -0.173560
  H      -3.415551     -4.970304     -0.688934
  H      -2.907202     -7.490864      0.204194
  H      -4.481674     -6.677248      0.494339
  C      -2.220394     -3.144163      1.072949
  C      -1.568744     -2.732005     -0.112401
  C      -1.098352     -1.430190     -0.215436
  C      -1.277748     -0.511064      0.835698
  C      -1.867420     -0.915943      2.021899
  C      -2.277724     -2.252005      2.177977
  N      -2.887016     -2.777911      3.305757
  C      -2.809008     -2.205127      4.515592
  C      -1.787582     -1.401406      5.136797
  O      -1.926459     -0.788931      6.172973
  Cl     -0.097850     -1.461447      4.402886
  C      -6.088215     -5.661528      4.815407
  C      -6.927019     -6.503131      5.590851
  C      -8.048164     -5.985949      6.219536
  C      -8.382407     -4.626363      6.086057
  C      -7.573912     -3.780335      5.339927
  C      -6.402882     -4.268927      4.726783
  N      -5.509957     -3.511948      3.969599
  C      -5.749247     -2.195189      3.855206
  C      -5.402854     -1.411411      2.709168
  O      -5.012467     -1.730549      1.611244
  Cl     -5.732920      0.373231      3.054859
  C      -1.704898     -4.754508      5.452707
  C      -0.304896     -4.615383      5.653497
  C       0.246863     -4.156730      6.835080
  C      -0.584077     -3.827109      7.916671
  C      -1.950876     -3.967942      7.779740
  C      -2.544696     -4.418302      6.577590
  N      -3.916585     -4.391861      6.478104
  C      -4.729857     -4.829175      7.379858
  C      -4.407098     -5.819647      8.432270
  O      -3.444763     -6.519527      8.567195
  Cl     -5.854424     -6.008240      9.557598
  H      -1.491705     -3.408056     -0.962818
  H      -0.629906     -1.102628     -1.145110
  H      -0.973572      0.528380      0.711352
  H      -2.052758     -0.196588      2.817739
  H      -3.592668     -2.477664      5.220871
  H      -6.679693     -7.555720      5.718909
  H      -8.673857     -6.641969      6.826275
  H      -9.280675     -4.233482      6.562779
  H      -7.866381     -2.737434      5.229811
  H      -6.361006     -1.696145      4.604731
  H       0.355549     -4.806590      4.808483
  H       1.325388     -4.008591      6.904008
  H      -0.164489     -3.434240      8.843173
  H      -2.620156     -3.667680      8.587746
  H      -5.784162     -4.549337      7.320691
  N      -5.434753     -4.935647      1.696956
  H      -6.374724     -5.137309      2.038042
  H      -5.471554     -4.389461      0.836718
74
Coordinates from ORCA-job orca E -7299.043657005536
  N      -2.883660     -4.319743      1.254264
  C      -2.838427     -5.308678      0.184383
  C      -3.408719     -6.633538      0.687765
  N      -3.229933     -6.697109      2.160203
  C      -4.078098     -7.763001      2.762788
  C      -4.484734     -7.404808      4.186325
  N      -4.948358     -6.029398      4.189314
  Mo     -3.910392     -4.668028      3.013157
  N      -2.190465     -5.292922      4.270823
  C      -1.446512     -6.483422      3.863889
  C      -1.783568     -6.867910      2.446980
  H      -1.658680     -7.313333      4.565119
  H      -0.355246     -6.340353      3.909089
  H      -1.482595     -7.907636      2.232895
  H      -1.241278     -6.206951      1.761418
  H      -5.266448     -8.109436      4.503749
  H      -3.644385     -7.512668      4.888779
  H      -4.986745     -7.821756      2.149520
  H      -3.558572     -8.734289      2.715826
  H      -1.803120     -5.433103     -0.177169
  H      -3.423839     -4.969046     -0.688999
  H      -2.911102     -7.492494      0.206575
  H      -4.484579     -6.678286      0.497933
  C      -2.223358     -3.144382      1.069926
  C      -1.569880     -2.732900     -0.114779
  C      -1.096722     -1.432106     -0.216884
  C      -1.275029     -0.512489      0.834346
  C      -1.866134     -0.916723      2.019887
  C      -2.278923     -2.252133      2.174898
  N      -2.888721     -2.778119      3.302671
  C      -2.805734     -2.206493      4.512563
  C      -1.782373     -1.401550      5.129223
  O      -1.919201     -0.784241      6.162754
  Cl     -0.092632     -1.472334      4.395815
  C      -6.088414     -5.663765      4.815683
  C      -6.927967     -6.506239      5.589409
  C      -8.050250     -5.989611      6.216609
  C      -8.385056     -4.630111      6.084452
  C      -7.576014     -3.783177      5.339518
  C      -6.404101     -4.270867      4.727531
  N      -5.511375     -3.513294      3.970996
  C      -5.747607     -2.195998      3.858279
  C      -5.401059     -1.409654      2.714219
  O      -5.017590     -1.726461      1.613363
  Cl     -5.718832      0.376163      3.070383
  C      -1.707932     -4.753094      5.454406
  C      -0.307528     -4.619810      5.661022
  C       0.243036     -4.162723      6.843338
  C      -0.589192     -3.826616      7.922310
  C      -1.955614     -3.962049      7.781039
  C      -2.547797     -4.412839      6.578156
  N      -3.919217     -4.386404      6.478398
  C      -4.732650     -4.824560      7.380093
  C      -4.407092     -5.817558      8.429130
  O      -3.445269     -6.520131      8.555999
  Cl     -5.848811     -6.010107      9.562042
  H      -1.492923     -3.408617     -0.965545
  H      -0.626379     -1.105570     -1.145992
  H      -0.967818      0.526113      0.710317
  H      -2.051405     -0.198335      2.816737
  H      -3.588626     -2.475310      5.220314
  H      -6.680641     -7.558698      5.718610
  H      -8.675521     -6.646657      6.822773
  H      -9.284325     -4.238255      6.560126
  H      -7.867620     -2.740095      5.227921
  H      -6.357923     -1.697768      4.609771
  H       0.356072     -4.814772      4.819684
  H       1.322244     -4.020808      6.914856
  H      -0.170615     -3.432567      8.848790
  H      -2.626747     -3.659125      8.586462
  H      -5.786379     -4.541739      7.324059
  N      -5.435380     -4.936241      1.699685
  H      -6.375655     -5.138699      2.039948
  H      -5.474362     -4.390416      0.839217
74
Coordinates from ORCA-job orca E -7299.043767883373
  N      -2.874104     -4.322908      1.256268
  C      -2.815410     -5.311015      0.188103
  C      -3.393632     -6.634075      0.684995
  N      -3.230186     -6.700694      2.159397
  C      -4.089137     -7.765686      2.746352
  C      -4.517342     -7.414798      4.164386
  N      -4.968713     -6.035689      4.171020
  Mo     -3.913558     -4.671704      3.008675
  N      -2.201929     -5.297012      4.274098
  C      -1.469095     -6.499302      3.884200
  C      -1.787252     -6.877174      2.461388
  H      -1.708485     -7.326779      4.579597
  H      -0.376700     -6.373341      3.953660
  H      -1.486917     -7.917182      2.247238
  H      -1.235310     -6.214828      1.784821
  H      -5.311424     -8.115098      4.460564
  H      -3.691577     -7.536883      4.881797
  H      -4.988090     -7.821354      2.118740
  H      -3.570788     -8.738018      2.703451
  H      -1.773424     -5.437336     -0.153958
  H      -3.387470     -4.969948     -0.693553
  H      -2.895955     -7.496910      0.210939
  H      -4.468668     -6.673438      0.484227
  C      -2.215108     -3.146119      1.074350
  C      -1.552738     -2.735140     -0.105709
  C      -1.084950     -1.432444     -0.207426
  C      -1.277582     -0.510261      0.839249
  C      -1.875294     -0.914593      2.021278
  C      -2.280947     -2.252079      2.176849
  N      -2.893961     -2.781098      3.301982
  C      -2.817419     -2.209703      4.511749
  C      -1.806883     -1.388201      5.129448
  O      -1.959080     -0.768736      6.159556
  Cl     -0.110831     -1.444353      4.411723
  C      -6.097701     -5.662200      4.811064
  C      -6.935551     -6.502549      5.590302
  C      -8.047576     -5.981141      6.231326
  C      -8.373387     -4.618301      6.110970
  C      -7.566708     -3.773763      5.360396
  C      -6.406003     -4.266548      4.731403
  N      -5.518722     -3.513438      3.965036
  C      -5.751232     -2.196292      3.846310
  C      -5.399586     -1.414523      2.701016
  O      -5.012125     -1.735364      1.602872
  Cl     -5.712292      0.374438      3.052525
  C      -1.712645     -4.746827      5.451950
  C      -0.312382     -4.603092      5.644662
  C       0.246117     -4.140503      6.821256
  C      -0.578923     -3.807075      7.906517
  C      -1.946044     -3.950651      7.777673
  C      -2.543868     -4.408743      6.581060
  N      -3.916011     -4.393227      6.490090
  C      -4.724243     -4.846061      7.387610
  C      -4.381588     -5.839356      8.432857
  O      -3.411316     -6.532584      8.546422
  Cl     -5.811079     -6.055365      9.575995
  H      -1.464918     -3.412755     -0.953958
  H      -0.607668     -1.106606     -1.133245
  H      -0.975060      0.529611      0.714290
  H      -2.072549     -0.195455      2.814589
  H      -3.598569     -2.484699      5.219205
  H      -6.693405     -7.556719      5.714854
  H      -8.669913     -6.636877      6.842019
  H      -9.263552     -4.221933      6.599824
  H      -7.850788     -2.727602      5.258528
  H      -6.362459     -1.693505      4.593989
  H       0.343767     -4.796396      4.796641
  H       1.325054     -3.992395      6.883220
  H      -0.154811     -3.408070      8.828388
  H      -2.612101     -3.651517      8.588645
  H      -5.780711     -4.572272      7.337142
  N      -5.431419     -4.931996      1.685855
  H      -6.376307     -5.126973      2.017594
  H      -5.460260     -4.374625      0.832808
74
Coordinates from ORCA-job orca E -7299.043764057998
  N      -2.866755     -4.323870      1.255999
  C      -2.794750     -5.312045      0.189368
  C      -3.381717     -6.632599      0.679717
  N      -3.230518     -6.701991      2.155992
  C      -4.097146     -7.767355      2.729557
  C      -4.542689     -7.423954      4.143003
  N      -4.984440     -6.041859      4.153939
  Mo     -3.915564     -4.673266      3.005170
  N      -2.211733     -5.299388      4.274989
  C      -1.487546     -6.510122      3.897204
  C      -1.791103     -6.883911      2.470138
  H      -1.746545     -7.335696      4.588074
  H      -0.395069     -6.396021      3.984686
  H      -1.492667     -7.924834      2.257323
  H      -1.230320     -6.222234      1.800312
  H      -5.347217     -8.120489      4.420177
  H      -3.729697     -7.558941      4.873237
  H      -4.988123     -7.821480      2.090615
  H      -3.579026     -8.740079      2.689703
  H      -1.745363     -5.441040     -0.129055
  H      -3.351597     -4.970188     -0.701450
  H      -2.885787     -7.499392      0.211220
  H      -4.455596     -6.666158      0.470133
  C      -2.205115     -3.147915      1.076892
  C      -1.533208     -2.739092     -0.098632
  C      -1.064293     -1.436625     -0.198511
  C      -1.264932     -0.512565      0.845045
  C      -1.871068     -0.915339      2.023198
  C      -2.276770     -2.252832      2.177550
  N      -2.896715     -2.782249      3.299191
  C      -2.829784     -2.207256      4.506946
  C      -1.833974     -1.365722      5.123358
  O      -2.005298     -0.731617      6.141374
  Cl     -0.136201     -1.393516      4.410622
  C      -6.098722     -5.661515      4.813946
  C      -6.930043     -6.500640      5.602546
  C      -8.029943     -5.976031      6.261517
  C      -8.350086     -4.610850      6.152599
  C      -7.549966     -3.767835      5.393265
  C      -6.402005     -4.264003      4.744018
  N      -5.525630     -3.513804      3.963441
  C      -5.760896     -2.198050      3.838242
  C      -5.418891     -1.421760      2.686507
  O      -5.044472     -1.747506      1.585487
  Cl     -5.740198      0.368447      3.029674
  C      -1.717903     -4.745254      5.450357
  C      -0.317742     -4.599444      5.636685
  C       0.245209     -4.134936      6.810707
  C      -0.575978     -3.800907      7.898533
  C      -1.943862     -3.945594      7.775145
  C      -2.543934     -4.406217      6.581111
  N      -3.915949     -4.391911      6.492350
  C      -4.725462     -4.856642      7.380994
  C      -4.378185     -5.858552      8.417860
  O      -3.400196     -6.541651      8.526516
  Cl     -5.795210     -6.081124      9.573612
  H      -1.438291     -3.417862     -0.945183
  H      -0.579120     -1.112635     -1.120874
  H      -0.961723      0.527104      0.720133
  H      -2.075548     -0.195725      2.814348
  H      -3.611202     -2.485267      5.213051
  H      -6.691665     -7.556321      5.721147
  H      -8.646256     -6.631529      6.878635
  H      -9.229931     -4.211532      6.657430
  H      -7.827815     -2.719088      5.301231
  H      -6.371013     -1.692237      4.584795
  H       0.334910     -4.794298      4.785988
  H       1.324377     -3.987065      6.868717
  H      -0.148619     -3.400386      8.818257
  H      -2.607721     -3.647213      8.588178
  H      -5.782634     -4.585199      7.331301
  N      -5.426646     -4.924099      1.673890
  H      -6.375845     -5.113521      1.996378
  H      -5.445362     -4.353555      0.829538
74
Coordinates from ORCA-job orca E -7299.043791179632
  N      -2.863824     -4.325548      1.256031
  C      -2.778326     -5.316600      0.191793
  C      -3.373572     -6.634077      0.677321
  N      -3.231148     -6.703148      2.155360
  C      -4.101324     -7.770258      2.721047
  C      -4.561524     -7.430715      4.130201
  N      -4.997677     -6.046681      4.141905
  Mo     -3.918077     -4.674531      3.004217
  N      -2.219277     -5.297946      4.276400
  C      -1.499921     -6.513794      3.907401
  C      -1.794515     -6.888929      2.478705
  H      -1.769713     -7.336341      4.598037
  H      -0.407841     -6.405217      4.006005
  H      -1.498224     -7.931133      2.269156
  H      -1.226576     -6.229821      1.812507
  H      -5.374628     -8.123927      4.391415
  H      -3.760582     -7.574779      4.872529
  H      -4.986054     -7.826920      2.073730
  H      -3.581377     -8.742142      2.686329
  H      -1.722385     -5.447516     -0.103411
  H      -3.321007     -4.977215     -0.708263
  H      -2.878488     -7.503540      0.213153
  H      -4.445827     -6.663679      0.461523
  C      -2.201084     -3.149954      1.077797
  C      -1.525099     -2.743075     -0.096112
  C      -1.059008     -1.439585     -0.197352
  C      -1.267086     -0.513136      0.842332
  C      -1.876723     -0.914384      2.019245
  C      -2.276892     -2.253114      2.176377
  N      -2.900125     -2.782533      3.296714
  C      -2.842634     -2.205221      4.503375
  C      -1.851818     -1.363586      5.129207
  O      -2.036226     -0.726695      6.143014
  Cl     -0.135026     -1.435714      4.469260
  C      -6.102769     -5.662097      4.813816
  C      -6.930629     -6.501333      5.606638
  C      -8.025234     -5.976244      6.274029
  C      -8.342982     -4.609967      6.171457
  C      -7.545490     -3.766925      5.409679
  C      -6.404269     -4.264199      4.749601
  N      -5.531875     -3.514282      3.965060
  C      -5.765085     -2.198225      3.842234
  C      -5.414462     -1.419835      2.694336
  O      -5.027609     -1.742608      1.596822
  Cl     -5.733661      0.370594      3.039818
  C      -1.719113     -4.738836      5.446999
  C      -0.318991     -4.588688      5.624091
  C       0.248931     -4.117964      6.793867
  C      -0.567478     -3.783878      7.884821
  C      -1.936293     -3.932667      7.769419
  C      -2.540005     -4.397335      6.579040
  N      -3.912134     -4.381386      6.492847
  C      -4.722470     -4.855843      7.374139
  C      -4.374002     -5.868109      8.401354
  O      -3.394153     -6.549454      8.502103
  Cl     -5.786903     -6.101984      9.557324
  H      -1.425256     -3.423545     -0.940627
  H      -0.570800     -1.116820     -1.118523
  H      -0.967901      0.527349      0.714745
  H      -2.088182     -0.192952      2.806813
  H      -3.629791     -2.481989      5.203612
  H      -6.694215     -7.557923      5.720786
  H      -8.639209     -6.632446      6.892717
  H      -9.217251     -4.209654      6.685054
  H      -7.818896     -2.716413      5.325661
  H      -6.377900     -1.691764      4.586012
  H       0.329229     -4.786443      4.770364
  H       1.328076     -3.968016      6.846453
  H      -0.136125     -3.380915      8.801596
  H      -2.597127     -3.634075      8.584868
  H      -5.779865     -4.585342      7.325409
  N      -5.423793     -4.919633      1.666587
  H      -6.375954     -5.107137      1.980975
  H      -5.433250     -4.337404      0.830210
74
Coordinates from ORCA-job orca E -7299.043674217976
  N      -2.858953     -4.330459      1.261521
  C      -2.768966     -5.324100      0.197929
  C      -3.373982     -6.637706      0.679909
  N      -3.235243     -6.707613      2.158431
  C      -4.109493     -7.773397      2.722292
  C      -4.567982     -7.433894      4.132323
  N      -5.001083     -6.048797      4.143964
  Mo     -3.915710     -4.677813      3.008961
  N      -2.219387     -5.300912      4.280757
  C      -1.510421     -6.525372      3.917539
  C      -1.800704     -6.900299      2.487804
  H      -1.791395     -7.342492      4.610192
  H      -0.418103     -6.428130      4.021368
  H      -1.508113     -7.943603      2.279074
  H      -1.225770     -6.243280      1.825489
  H      -5.384486     -8.124069      4.391176
  H      -3.769539     -7.582819      4.876291
  H      -4.995218     -7.823876      2.075795
  H      -3.594224     -8.747469      2.685146
  H      -1.712049     -5.459034     -0.091284
  H      -3.303956     -4.985118     -0.706597
  H      -2.881634     -7.507911      0.214259
  H      -4.445166     -6.661779      0.462253
  C      -2.202756     -3.151763      1.080687
  C      -1.530781     -2.743863     -0.095144
  C      -1.072440     -1.437712     -0.200005
  C      -1.283760     -0.510443      0.837913
  C      -1.890533     -0.912016      2.016540
  C      -2.284450     -2.252080      2.176669
  N      -2.902655     -2.782754      3.299203
  C      -2.849185     -2.202327      4.504508
  C      -1.867847     -1.345528      5.125033
  O      -2.055268     -0.712902      6.140925
  Cl     -0.161886     -1.368586      4.436881
  C      -6.112551     -5.665881      4.806024
  C      -6.947223     -6.506436      5.590043
  C      -8.050815     -5.983720      6.244374
  C      -8.369527     -4.617910      6.138001
  C      -7.563888     -3.773258      5.387065
  C      -6.414860     -4.269021      4.739142
  N      -5.529565     -3.517137      3.970574
  C      -5.753648     -2.198808      3.857628
  C      -5.367711     -1.409183      2.728354
  O      -4.934160     -1.719349      1.644718
  Cl     -5.670492      0.380048      3.090964
  C      -1.712245     -4.736947      5.445982
  C      -0.311327     -4.586157      5.614239
  C       0.262097     -4.108920      6.779016
  C      -0.549058     -3.771174      7.872527
  C      -1.918494     -3.923150      7.766286
  C      -2.528759     -4.393225      6.581129
  N      -3.902339     -4.381800      6.503274
  C      -4.703461     -4.855315      7.393890
  C      -4.345434     -5.860295      8.424195
  O      -3.371130     -6.550629      8.513986
  Cl     -5.773984     -6.126777      9.552095
  H      -1.427931     -3.425840     -0.937981
  H      -0.587417     -1.114112     -1.122560
  H      -0.990308      0.531354      0.707812
  H      -2.102879     -0.189389      2.802689
  H      -3.628629     -2.490909      5.208251
  H      -6.710932     -7.562971      5.704977
  H      -8.671441     -6.640918      6.855200
  H      -9.249735     -4.218910      6.642370
  H      -7.837398     -2.722920      5.303050
  H      -6.375792     -1.694500      4.594831
  H       0.332157     -4.788150      4.757857
  H       1.341208     -3.956856      6.825521
  H      -0.112805     -3.365338      8.785689
  H      -2.575066     -3.623127      8.584713
  H      -5.762407     -4.590719      7.350107
  N      -5.422086     -4.916902      1.668095
  H      -6.374321     -5.099838      1.984802
  H      -5.430999     -4.332838      0.832426
74
Coordinates from ORCA-job orca E -7299.043885717389
  N      -2.854882     -4.326737      1.262636
  C      -2.767742     -5.318684      0.197333
  C      -3.375698     -6.631715      0.677395
  N      -3.237465     -6.704438      2.155152
  C      -4.113886     -7.769113      2.717608
  C      -4.566425     -7.430574      4.129955
  N      -4.997484     -6.045054      4.144892
  Mo     -3.914619     -4.674486      3.007521
  N      -2.219629     -5.300810      4.280167
  C      -1.512025     -6.525933      3.915523
  C      -1.802828     -6.899286      2.485421
  H      -1.793619     -7.342757      4.607858
  H      -0.419354     -6.429863      4.018805
  H      -1.510911     -7.942444      2.275307
  H      -1.226944     -6.241801      1.824195
  H      -5.382348     -8.119849      4.392467
  H      -3.764768     -7.581587      4.869348
  H      -5.001914     -7.813749      2.073765
  H      -3.601960     -8.744740      2.675600
  H      -1.712642     -5.455142     -0.097594
  H      -3.302916     -4.976733     -0.706081
  H      -2.884014     -7.501217      0.209524
  H      -4.447259     -6.653525      0.459343
  C      -2.196714     -3.148973      1.084653
  C      -1.522337     -2.740578     -0.089679
  C      -1.058962     -1.436027     -0.191207
  C      -1.267091     -0.510562      0.849079
  C      -1.876452     -0.912583      2.026221
  C      -2.277226     -2.251152      2.182485
  N      -2.897877     -2.781896      3.303472
  C      -2.838531     -2.207567      4.511687
  C      -1.850875     -1.359831      5.134432
  O      -2.029159     -0.739489      6.159570
  Cl     -0.147673     -1.386944      4.439474
  C      -6.107890     -5.662780      4.809523
  C      -6.939909     -6.502790      5.596666
  C      -8.042287     -5.980104      6.252876
  C      -8.363102     -4.615029      6.143541
  C      -7.560563     -3.771033      5.388537
  C      -6.410286     -4.265966      4.741865
  N      -5.530470     -3.514496      3.966051
  C      -5.771453     -2.200307      3.838213
  C      -5.422290     -1.422384      2.689081
  O      -5.029689     -1.744402      1.593349
  Cl     -5.762772      0.364853      3.025579
  C      -1.712935     -4.737683      5.445921
  C      -0.311828     -4.588918      5.615138
  C       0.261237     -4.113841      6.780822
  C      -0.550409     -3.775819      7.874018
  C      -1.919707     -3.926316      7.766923
  C      -2.530325     -4.394745      6.581222
  N      -3.904443     -4.386180      6.504609
  C      -4.701949     -4.858152      7.399858
  C      -4.339087     -5.856293      8.435034
  O      -3.358666     -6.536767      8.533891
  Cl     -5.761515     -6.111158      9.574234
  H      -1.420945     -3.421269     -0.933792
  H      -0.572010     -1.112052     -1.112642
  H      -0.968729      0.530280      0.722358
  H      -2.085890     -0.190663      2.813693
  H      -3.615112     -2.499264      5.217127
  H      -6.701889     -7.558798      5.712765
  H      -8.660666     -6.636490      6.866837
  H      -9.243806     -4.216305      6.647310
  H      -7.838269     -2.722119      5.300177
  H      -6.390384     -1.695096      4.577479
  H       0.331875     -4.791438      4.759085
  H       1.340423     -3.962557      6.828085
  H      -0.114383     -3.371349      8.787916
  H      -2.576054     -3.626945      8.585748
  H      -5.761783     -4.596632      7.357766
  N      -5.421457     -4.910374      1.664879
  H      -6.373387     -5.092402      1.983313
  H      -5.431464     -4.328222      0.827772
74
Coordinates from ORCA-job orca E -7299.043840758552
  N      -2.852925     -4.328992      1.257726
  C      -2.762845     -5.320529      0.193745
  C      -3.372584     -6.632730      0.673436
  N      -3.236371     -6.706911      2.151216
  C      -4.114669     -7.771282      2.709290
  C      -4.570488     -7.436209      4.120598
  N      -4.998408     -6.049776      4.138300
  Mo     -3.914293     -4.676764      3.003685
  N      -2.220989     -5.300430      4.275793
  C      -1.511021     -6.524405      3.912199
  C      -1.802247     -6.901097      2.482863
  H      -1.789193     -7.341369      4.605606
  H      -0.418434     -6.424346      4.013096
  H      -1.510618     -7.945129      2.276404
  H      -1.226017     -6.246283      1.819442
  H      -5.388710     -8.124337      4.379048
  H      -3.771105     -7.591656      4.861917
  H      -5.000968     -7.814424      2.062983
  H      -3.603047     -8.747184      2.665933
  H      -1.705929     -5.459165     -0.094681
  H      -3.292830     -4.977922     -0.712529
  H      -2.883557     -7.504476      0.206775
  H      -4.444693     -6.652128      0.453940
  C      -2.194336     -3.151593      1.079472
  C      -1.515890     -2.744799     -0.093224
  C      -1.054377     -1.439802     -0.196036
  C      -1.269229     -0.511572      0.840643
  C      -1.881641     -0.912233      2.016529
  C      -2.277894     -2.251802      2.175218
  N      -2.902036     -2.781471      3.295141
  C      -2.852729     -2.200792      4.500324
  C      -1.872763     -1.345923      5.126579
  O      -2.069351     -0.702668      6.134036
  Cl     -0.158509     -1.385821      4.460039
  C      -6.101124     -5.664770      4.814354
  C      -6.926306     -6.502993      5.610890
  C      -8.019985     -5.977707      6.279366
  C      -8.339703     -4.612040      6.173896
  C      -7.544350     -3.769791      5.409280
  C      -6.402362     -4.266967      4.749773
  N      -5.529370     -3.517040      3.965055
  C      -5.762330     -2.200966      3.843847
  C      -5.405772     -1.416652      2.701521
  O      -5.010384     -1.732187      1.605010
  Cl     -5.722946      0.372281      3.056924
  C      -1.719345     -4.739839      5.445327
  C      -0.318893     -4.592160      5.623493
  C       0.247844     -4.119242      6.792899
  C      -0.569706     -3.780319      7.881681
  C      -1.938191     -3.928555      7.765620
  C      -2.541562     -4.396489      6.576154
  N      -3.914866     -4.387763      6.491768
  C      -4.717250     -4.865676      7.379405
  C      -4.357610     -5.871611      8.408551
  O      -3.362358     -6.527968      8.524468
  Cl     -5.759368     -6.097817      9.579937
  H      -1.410158     -3.427015     -0.935646
  H      -0.564409     -1.117378     -1.116445
  H      -0.972849      0.529595      0.711886
  H      -2.097565     -0.189263      2.801364
  H      -3.637916     -2.484418      5.199818
  H      -6.688377     -7.558970      5.727188
  H      -8.631721     -6.633061      6.901181
  H      -9.214187     -4.211819      6.687245
  H      -7.820161     -2.720138      5.322775
  H      -6.377031     -1.696075      4.587038
  H       0.330612     -4.794025      4.771862
  H       1.327045     -3.970068      6.846473
  H      -0.138781     -3.375227      8.797742
  H      -2.599856     -3.628748      8.579948
  H      -5.777148     -4.604113      7.333024
  N      -5.419068     -4.909731      1.659095
  H      -6.372116     -5.091727      1.974675
  H      -5.428180     -4.323371      0.825209
74
Coordinates from ORCA-job orca E -7299.043949606250
  N      -2.852056     -4.329375      1.259318
  C      -2.757699     -5.322412      0.196344
  C      -3.371713     -6.632833      0.674252
  N      -3.238113     -6.706951      2.152440
  C      -4.117585     -7.771798      2.708471
  C      -4.576445     -7.437530      4.118963
  N      -5.001812     -6.050243      4.137147
  Mo     -3.915199     -4.676569      3.004857
  N      -2.223012     -5.298913      4.277233
  C      -1.515391     -6.525010      3.916394
  C      -1.804985     -6.903452      2.487163
  H      -1.796539     -7.339825      4.611197
  H      -0.422896     -6.426598      4.019845
  H      -1.515084     -7.948244      2.282327
  H      -1.225897     -6.250511      1.824392
  H      -5.397863     -8.123733      4.372862
  H      -3.780649     -7.596877      4.863509
  H      -5.002686     -7.815075      2.060501
  H      -3.605831     -8.747582      2.666081
  H      -1.699128     -5.462145     -0.085286
  H      -3.282483     -4.980822     -0.713260
  H      -2.883254     -7.505212      0.208228
  H      -4.443165     -6.649959      0.453071
  C      -2.192517     -3.152446      1.081576
  C      -1.512151     -2.746891     -0.090453
  C      -1.048615     -1.442532     -0.192942
  C      -1.262850     -0.514026      0.843486
  C      -1.877441     -0.913487      2.018693
  C      -2.276474     -2.252242      2.176902
  N      -2.902904     -2.780737      3.296012
  C      -2.855659     -2.199355      4.500716
  C      -1.876855     -1.343422      5.127580
  O      -2.074525     -0.701147      6.135358
  Cl     -0.162010     -1.384334      4.463651
  C      -6.101551     -5.664012      4.817208
  C      -6.924877     -6.502134      5.615918
  C      -8.017445     -5.977056      6.286415
  C      -8.337428     -4.611420      6.181240
  C      -7.543260     -3.769217      5.415473
  C      -6.402701     -4.266394      4.753500
  N      -5.531511     -3.516487      3.966885
  C      -5.767165     -2.201140      3.844043
  C      -5.411659     -1.418109      2.700424
  O      -5.014852     -1.734710      1.604714
  Cl     -5.737935      0.370101      3.050126
  C      -1.717740     -4.736344      5.444198
  C      -0.317228     -4.586286      5.617078
  C       0.252092     -4.109882      6.784073
  C      -0.563007     -3.770589      7.874335
  C      -1.931909     -3.921094      7.762722
  C      -2.537661     -4.391782      6.575643
  N      -3.911353     -4.381847      6.492887
  C      -4.713647     -4.862450      7.378838
  C      -4.354986     -5.872125      8.404885
  O      -3.373292     -6.551484      8.500220
  Cl     -5.778813     -6.138557      9.539394
  H      -1.406034     -3.429596     -0.932382
  H      -0.556959     -1.120971     -1.112738
  H      -0.964708      0.526660      0.715018
  H      -2.092450     -0.189816      2.803152
  H      -3.640167     -2.484859      5.200190
  H      -6.686645     -7.558154      5.731239
  H      -8.628237     -6.632365      6.909170
  H      -9.210685     -4.211049      6.696542
  H      -7.819045     -2.719462      5.330586
  H      -6.383148     -1.695847      4.585824
  H       0.329631     -4.789386      4.763608
  H       1.331203     -3.959013      6.834618
  H      -0.130034     -3.363940      8.788734
  H      -2.591563     -3.620524      8.578408
  H      -5.773409     -4.600540      7.333116
  N      -5.419016     -4.907332      1.658209
  H      -6.372612     -5.089438      1.971785
  H      -5.425202     -4.316903      0.827226
74
Coordinates from ORCA-job orca E -7299.043938239636
  N      -2.847211     -4.330160      1.265529
  C      -2.746999     -5.323791      0.202599
  C      -3.369983     -6.631426      0.674802
  N      -3.243172     -6.708107      2.153495
  C      -4.127741     -7.772392      2.703679
  C      -4.590372     -7.440307      4.113622
  N      -5.010636     -6.051505      4.133423
  Mo     -3.916674     -4.677746      3.006930
  N      -2.228238     -5.301224      4.282037
  C      -1.529835     -6.534756      3.927525
  C      -1.812490     -6.911273      2.496393
  H      -1.823828     -7.345211      4.622158
  H      -0.437375     -6.446734      4.039925
  H      -1.525656     -7.956809      2.291469
  H      -1.226274     -6.259455      1.838694
  H      -5.416916     -8.123074      4.360499
  H      -3.799951     -7.606934      4.862224
  H      -5.011154     -7.810413      2.053036
  H      -3.619147     -8.749616      2.660003
  H      -1.687149     -5.466128     -0.072473
  H      -3.263779     -4.981313     -0.711198
  H      -2.882519     -7.504087      0.208291
  H      -4.440117     -6.643097      0.449423
  C      -2.190213     -3.151580      1.089479
  C      -1.508441     -2.744842     -0.081320
  C      -1.046301     -1.439808     -0.182669
  C      -1.262285     -0.512383      0.854167
  C      -1.878714     -0.912761      2.028268
  C      -2.278705     -2.251401      2.184581
  N      -2.904882     -2.781637      3.302886
  C      -2.855698     -2.204474      4.509462
  C      -1.878496     -1.345829      5.135317
  O      -2.070075     -0.722232      6.155878
  Cl     -0.169413     -1.370053      4.457999
  C      -6.114789     -5.666497      4.806461
  C      -6.944624     -6.506805      5.596064
  C      -8.044621     -5.984433      6.256393
  C      -8.363980     -4.618664      6.150926
  C      -7.562358     -3.774201      5.395546
  C      -6.415392     -4.269334      4.743050
  N      -5.536533     -3.517759      3.966478
  C      -5.775857     -2.203485      3.840640
  C      -5.412579     -1.420718      2.699081
  O      -5.000897     -1.736949      1.608735
  Cl     -5.754989      0.365635      3.039921
  C      -1.713185     -4.732209      5.442027
  C      -0.311826     -4.579127      5.599686
  C       0.267607     -4.096515      6.759507
  C      -0.537864     -3.755742      7.856135
  C      -1.907765     -3.910448      7.759344
  C      -2.524075     -4.386270      6.579775
  N      -3.899182     -4.381700      6.510307
  C      -4.689487     -4.863104      7.406276
  C      -4.315381     -5.864984      8.434585
  O      -3.327446     -6.535057      8.528405
  Cl     -5.723434     -6.122663      9.589588
  H      -1.399599     -3.427517     -0.922861
  H      -0.553427     -1.117267     -1.101456
  H      -0.964499      0.528572      0.727161
  H      -2.093658     -0.189063      2.812644
  H      -3.632030     -2.501546      5.212901
  H      -6.706634     -7.563012      5.710232
  H      -8.661313     -6.641151      6.871670
  H      -9.241996     -4.219608      6.659090
  H      -7.838392     -2.724485      5.312167
  H      -6.399883     -1.698828      4.575883
  H       0.326154     -4.785368      4.740072
  H       1.346704     -3.942528      6.799451
  H      -0.096723     -3.346580      8.765491
  H      -2.559571     -3.609752      8.581343
  H      -5.750632     -4.606294      7.371541
  N      -5.418912     -4.901773      1.654768
  H      -6.373225     -5.080927      1.967494
  H      -5.421762     -4.307133      0.826508
74
Coordinates from ORCA-job orca E -7299.044004447606
  N      -2.843414     -4.331083      1.263498
  C      -2.741777     -5.324579      0.201342
  C      -3.367180     -6.631220      0.672760
  N      -3.242422     -6.709019      2.151452
  C      -4.129225     -7.772433      2.698640
  C      -4.592273     -7.442265      4.108478
  N      -5.009451     -6.052583      4.130588
  Mo     -3.915077     -4.678084      3.004580
  N      -2.228145     -5.300698      4.279798
  C      -1.530654     -6.535325      3.927278
  C      -1.812427     -6.913290      2.496265
  H      -1.825601     -7.344918      4.622417
  H      -0.438167     -6.447515      4.039973
  H      -1.526632     -7.959545      2.293425
  H      -1.224763     -6.263378      1.838022
  H      -5.420458     -8.123621      4.353711
  H      -3.802618     -7.612464      4.857216
  H      -5.012060     -7.807906      2.047079
  H      -3.622036     -8.750397      2.653283
  H      -1.681220     -5.468814     -0.070597
  H      -3.255106     -4.981360     -0.714160
  H      -2.881592     -7.505282      0.206809
  H      -4.437475     -6.640435      0.446113
  C      -2.186650     -3.152507      1.087156
  C      -1.502894     -2.746674     -0.082890
  C      -1.043189     -1.440982     -0.185785
  C      -1.264298     -0.511576      0.848315
  C      -1.882151     -0.911127      2.021883
  C      -2.277905     -2.250736      2.180592
  N      -2.905284     -2.780542      3.298658
  C      -2.862168     -2.199807      4.503577
  C      -1.890392     -1.336145      5.131799
  O      -2.093328     -0.700443      6.142628
  Cl     -0.175475     -1.362400      4.469496
  C      -6.107434     -5.665245      4.812592
  C      -6.931576     -6.503704      5.610251
  C      -8.024849     -5.979108      6.279869
  C      -8.343774     -4.613126      6.175738
  C      -7.548071     -3.770515      5.412044
  C      -6.407072     -4.267504      4.750517
  N      -5.534565     -3.517714      3.965133
  C      -5.773539     -2.203510      3.838459
  C      -5.414319     -1.421062      2.695504
  O      -5.007703     -1.737407      1.603342
  Cl     -5.750235      0.366327      3.039897
  C      -1.716084     -4.733492      5.442169
  C      -0.315046     -4.583006      5.605962
  C       0.260421     -4.103050      6.768737
  C      -0.549044     -3.761359      7.862283
  C      -1.918651     -3.913378      7.759363
  C      -2.530461     -4.387617      6.576909
  N      -3.905291     -4.382558      6.502113
  C      -4.698923     -4.867149      7.393396
  C      -4.327591     -5.872642      8.419331
  O      -3.338501     -6.541032      8.514171
  Cl     -5.738876     -6.137126      9.569175
  H      -1.391058     -3.430590     -0.923072
  H      -0.549027     -1.119296     -1.104198
  H      -0.969003      0.529878      0.719519
  H      -2.101863     -0.186375      2.803939
  H      -3.642792     -2.493662      5.203732
  H      -6.693575     -7.559876      5.724562
  H      -8.636504     -6.634538      6.901596
  H      -9.217111     -4.212627      6.690805
  H      -7.823599     -2.720588      5.329160
  H      -6.394407     -1.698076      4.575906
  H       0.326491     -4.789629      4.749171
  H       1.339684     -3.951516      6.813352
  H      -0.111095     -3.353056      8.773575
  H      -2.573656     -3.612481      8.578714
  H      -5.760272     -4.610912      7.354868
  N      -5.416281     -4.899600      1.650737
  H      -6.371199     -5.078154      1.962245
  H      -5.418537     -4.302621      0.824193
74
Coordinates from ORCA-job orca E -7299.044026622409
  N      -2.839314     -4.332482      1.263887
  C      -2.732155     -5.326426      0.202928
  C      -3.364114     -6.630783      0.670670
  N      -3.244932     -6.710843      2.149685
  C      -4.135981     -7.773825      2.690425
  C      -4.603239     -7.447190      4.099322
  N      -5.014235     -6.055691      4.124834
  Mo     -3.916170     -4.679629      3.002750
  N      -2.231945     -5.300159      4.279015
  C      -1.538031     -6.538211      3.931347
  C      -1.816720     -6.918734      2.500280
  H      -1.837558     -7.344764      4.627965
  H      -0.445656     -6.452810      4.047284
  H      -1.533499     -7.966297      2.300678
  H      -1.224624     -6.272206      1.842686
  H      -5.436477     -8.124977      4.337629
  H      -3.818435     -7.625643      4.851367
  H      -5.016665     -7.805530      2.035742
  H      -3.630640     -8.752676      2.643513
  H      -1.669749     -5.473268     -0.060775
  H      -3.237295     -4.982638     -0.716934
  H      -2.880657     -7.506382      0.205325
  H      -4.433843     -6.634964      0.440592
  C      -2.182214     -3.153938      1.089095
  C      -1.493601     -2.749209     -0.078579
  C      -1.033154     -1.443755     -0.180802
  C      -1.258040     -0.513361      0.851635
  C      -1.880513     -0.911868      2.023108
  C      -2.277182     -2.251213      2.181331
  N      -2.908880     -2.780224      3.297386
  C      -2.871519     -2.198100      4.501398
  C      -1.904864     -1.329977      5.132142
  O      -2.115861     -0.689875      6.138436
  Cl     -0.186377     -1.355554      4.480378
  C      -6.106713     -5.666319      4.814570
  C      -6.926605     -6.504103      5.617501
  C      -8.015302     -5.978722      6.293883
  C      -8.333573     -4.612419      6.191989
  C      -7.541805     -3.770456      5.423490
  C      -6.405432     -4.268255      4.754588
  N      -5.537044     -3.519248      3.963953
  C      -5.776166     -2.205158      3.837199
  C      -5.415387     -1.421441      2.695659
  O      -5.007406     -1.736314      1.603590
  Cl     -5.755951      0.365215      3.040441
  C      -1.717743     -4.730894      5.439772
  C      -0.316798     -4.578785      5.600986
  C       0.259479     -4.095790      6.762224
  C      -0.549231     -3.752478      7.855776
  C      -1.918926     -3.905845      7.754758
  C      -2.531065     -4.383394      6.573944
  N      -3.906229     -4.380207      6.499613
  C      -4.698566     -4.869844      7.389006
  C      -4.324305     -5.878253      8.411438
  O      -3.333483     -6.544502      8.502808
  Cl     -5.732874     -6.148250      9.562882
  H      -1.378120     -3.434057     -0.917518
  H      -0.535054     -1.123077     -1.097445
  H      -0.961912      0.527896      0.723193
  H      -2.103022     -0.186292      2.803641
  H      -3.653336     -2.493332      5.199700
  H      -6.688237     -7.560282      5.730846
  H      -8.623385     -6.633641      6.919662
  H      -9.203133     -4.211075      6.712758
  H      -7.816720     -2.720180      5.343218
  H      -6.397300     -1.699799      4.574444
  H       0.323741     -4.787320      4.743863
  H       1.338698     -3.943561      6.805621
  H      -0.110706     -3.341897      8.765781
  H      -2.573309     -3.603972      8.574245
  H      -5.760569     -4.615924      7.351512
  N      -5.415189     -4.895805      1.644404
  H      -6.371085     -5.074077      1.953088
  H      -5.414591     -4.292786      0.822330
74
Coordinates from ORCA-job orca E -7299.044074818550
  N      -2.820047     -4.337048      1.268584
  C      -2.694607     -5.332436      0.211681
  C      -3.352266     -6.627461      0.664719
  N      -3.254222     -6.716096      2.144727
  C      -4.162243     -7.775879      2.661783
  C      -4.641779     -7.461597      4.068087
  N      -5.029925     -6.063701      4.106167
  Mo     -3.917377     -4.683388      2.997859
  N      -2.244062     -5.299082      4.278947
  C      -1.568721     -6.552920      3.950213
  C      -1.833698     -6.940043      2.517834
  H      -1.891149     -7.346955      4.650763
  H      -0.476896     -6.482836      4.081051
  H      -1.561385     -7.992378      2.328793
  H      -1.223309     -6.305789      1.865062
  H      -5.492541     -8.125687      4.283255
  H      -3.873434     -7.669767      4.829998
  H      -5.035892     -7.790494      1.997099
  H      -3.666138     -8.759052      2.607423
  H      -1.626928     -5.490564     -0.024391
  H      -3.170065     -4.985637     -0.722851
  H      -2.877687     -7.508694      0.200688
  H      -4.419409     -6.611621      0.422212
  C      -2.164054     -3.157561      1.098086
  C      -1.460651     -2.756244     -0.062240
  C      -1.003409     -1.449816     -0.165114
  C      -1.246042     -0.514706      0.859052
  C      -1.882575     -0.909809      2.024153
  C      -2.275310     -2.249923      2.184373
  N      -2.918575     -2.777273      3.295013
  C      -2.903297     -2.188696      4.495062
  C      -1.959436     -1.299292      5.133889
  O      -2.201828     -0.647407      6.125117
  Cl     -0.228134     -1.313365      4.521558
  C      -6.105764     -5.668388      4.818420
  C      -6.914029     -6.504664      5.635167
  C      -7.990864     -5.977666      6.328985
  C      -8.307268     -4.610513      6.233177
  C      -7.525613     -3.769949      5.452753
  C      -6.401352     -4.269508      4.764812
  N      -5.544545     -3.522992      3.959252
  C      -5.790428     -2.211227      3.825443
  C      -5.429982     -1.427745      2.683703
  O      -5.009927     -1.740751      1.595743
  Cl     -5.779759      0.358330      3.025465
  C      -1.719773     -4.723631      5.433587
  C      -0.318408     -4.572179      5.584048
  C       0.264553     -4.083410      6.739962
  C      -0.538317     -3.733558      7.835516
  C      -1.908981     -3.886985      7.743702
  C      -2.526350     -4.371607      6.568956
  N      -3.903037     -4.374061      6.501186
  C      -4.686194     -4.879052      7.389253
  C      -4.296115     -5.893082      8.401332
  O      -3.298758     -6.551028      8.478809
  Cl     -5.692470     -6.183084      9.561207
  H      -1.330616     -3.445372     -0.895538
  H      -0.493742     -1.132233     -1.076481
  H      -0.952464      0.527095      0.729237
  H      -2.118598     -0.180310      2.796961
  H      -3.688126     -2.491133      5.186811
  H      -6.674614     -7.560905      5.745336
  H      -8.589493     -6.631367      6.965096
  H      -9.166732     -4.207015      6.768839
  H      -7.799171     -2.718825      5.380087
  H      -6.415555     -1.705448      4.558821
  H       0.316280     -4.788607      4.724340
  H       1.344208     -3.932795      6.777628
  H      -0.094534     -3.319001      8.741189
  H      -2.558475     -3.582306      8.566068
  H      -5.750586     -4.633770      7.360012
  N      -5.408879     -4.878099      1.622756
  H      -6.368106     -5.052933      1.923028
  H      -5.398821     -4.254856      0.815831
74
Coordinates from ORCA-job orca E -7299.044102179256
  N      -2.801801     -4.341305      1.275166
  C      -2.658929     -5.338487      0.222570
  C      -3.340911     -6.624483      0.660550
  N      -3.263955     -6.721352      2.141334
  C      -4.188461     -7.777624      2.635154
  C      -4.678568     -7.474997      4.039315
  N      -5.044719     -6.071274      4.089645
  Mo     -3.919193     -4.687296      2.993890
  N      -2.255667     -5.297163      4.279744
  C      -1.599313     -6.566216      3.969815
  C      -1.851625     -6.961376      2.536829
  H      -1.943685     -7.346790      4.674841
  H      -0.508287     -6.510931      4.114302
  H      -1.591098     -8.018566      2.359158
  H      -1.223158     -6.340653      1.888242
  H      -5.545264     -8.125255      4.233750
  H      -3.925393     -7.711000      4.808633
  H      -5.055393     -7.774712      1.961588
  H      -3.701762     -8.764976      2.572727
  H      -1.587173     -5.506857      0.012029
  H      -3.106369     -4.989271     -0.724934
  H      -2.874715     -7.510536      0.197120
  H      -4.404970     -6.589055      0.406451
  C      -2.148530     -3.159981      1.108516
  C      -1.431781     -2.761268     -0.044802
  C      -0.978337     -1.453665     -0.148383
  C      -1.237747     -0.514531      0.867961
  C      -1.887314     -0.906812      2.026886
  C      -2.276348     -2.247684      2.188860
  N      -2.928541     -2.774470      3.294928
  C      -2.929004     -2.183627      4.492689
  C      -2.003403     -1.277498      5.137770
  O      -2.269728     -0.619492      6.118405
  Cl     -0.264155     -1.278002      4.553170
  C      -6.107604     -5.671661      4.819178
  C      -6.906806     -6.507458      5.645613
  C      -7.975699     -5.980236      6.351519
  C      -8.290969     -4.612573      6.260446
  C      -7.516606     -3.772316      5.472282
  C      -6.401451     -4.272511      4.770080
  N      -5.552710     -3.527591      3.954350
  C      -5.803492     -2.217428      3.815848
  C      -5.434356     -1.431326      2.678760
  O      -5.002465     -1.740738      1.594381
  Cl     -5.818004      0.349991      3.010546
  C      -1.720127     -4.715235      5.427193
  C      -0.318085     -4.566778      5.565836
  C       0.273126     -4.072107      6.715511
  C      -0.522552     -3.713558      7.813223
  C      -1.894484     -3.864949      7.731770
  C      -2.518831     -4.356523      6.563995
  N      -3.897124     -4.364028      6.504640
  C      -4.669620     -4.882451      7.393456
  C      -4.262889     -5.900556      8.395931
  O      -3.260123     -6.551498      8.458837
  Cl     -5.644248     -6.204687      9.568561
  H      -1.287684     -3.454378     -0.872450
  H      -0.458027     -1.138594     -1.054605
  H      -0.946905      0.527891      0.737044
  H      -2.135601     -0.173725      2.792303
  H      -3.712228     -2.496583      5.181441
  H      -6.665528     -7.563527      5.753190
  H      -8.567281     -6.633388      6.994732
  H      -9.142804     -4.207762      6.807201
  H      -7.789185     -2.720519      5.406999
  H      -6.435852     -1.712543      4.543431
  H       0.309689     -4.793180      4.703431
  H       1.353457     -3.924933      6.746685
  H      -0.072216     -3.295426      8.714027
  H      -2.537808     -3.555914      8.557398
  H      -5.736170     -4.645576      7.373938
  N      -5.403376     -4.861715      1.602602
  H      -6.365239     -5.035179      1.895113
  H      -5.385319     -4.219372      0.810803
74
Coordinates from ORCA-job orca E -7299.044122166937
  N      -2.800986     -4.340693      1.276733
  C      -2.655687     -5.337714      0.224456
  C      -3.341067     -6.622819      0.659196
  N      -3.267456     -6.721679      2.140122
  C      -4.194497     -7.777614      2.630085
  C      -4.682252     -7.477753      4.035556
  N      -5.045939     -6.073285      4.088612
  Mo     -3.922003     -4.687823      2.992811
  N      -2.258350     -5.294641      4.278739
  C      -1.603778     -6.565197      3.970900
  C      -1.856376     -6.963983      2.538973
  H      -1.948655     -7.343402      4.678212
  H      -0.512549     -6.510166      4.114183
  H      -1.598647     -8.022431      2.365037
  H      -1.225353     -6.347320      1.888998
  H      -5.549854     -8.126717      4.230790
  H      -3.927425     -7.716407      4.802359
  H      -5.061649     -7.770001      1.956934
  H      -3.709951     -8.765766      2.563864
  H      -1.583466     -5.506386      0.016562
  H      -3.099728     -4.987602     -0.724391
  H      -2.876291     -7.509100      0.194869
  H      -4.404615     -6.583744      0.403912
  C      -2.146934     -3.159520      1.112061
  C      -1.426005     -2.761592     -0.038966
  C      -0.968753     -1.455151     -0.140267
  C      -1.227981     -0.516306      0.876382
  C      -1.882308     -0.907714      2.032936
  C      -2.276633     -2.247350      2.192210
  N      -2.932886     -2.773237      3.296119
  C      -2.933075     -2.184340      4.494392
  C      -2.006901     -1.278667      5.139689
  O      -2.271286     -0.624476      6.123244
  Cl     -0.268118     -1.281999      4.554573
  C      -6.108278     -5.674452      4.819876
  C      -6.905185     -6.511105      5.647429
  C      -7.974260     -5.985255      6.354302
  C      -8.291318     -4.618128      6.263047
  C      -7.518841     -3.777022      5.473825
  C      -6.404063     -4.275997      4.770317
  N      -5.557706     -3.530569      3.952546
  C      -5.813973     -2.221754      3.810727
  C      -5.446167     -1.436039      2.672966
  O      -5.002358     -1.744296      1.592983
  Cl     -5.826762      0.345729      3.005040
  C      -1.720192     -4.711851      5.424545
  C      -0.317665     -4.565826      5.560768
  C       0.276024     -4.069996      6.708723
  C      -0.517497     -3.707776      7.806750
  C      -1.889915     -3.856534      7.727472
  C      -2.516757     -4.349360      6.561549
  N      -3.895469     -4.355779      6.504699
  C      -4.665970     -4.874727      7.394944
  C      -4.257477     -5.894237      8.395295
  O      -3.255893     -6.547367      8.454072
  Cl     -5.633982     -6.193923      9.574641
  H      -1.280640     -3.454814     -0.866281
  H      -0.444560     -1.140878     -1.044520
  H      -0.933302      0.525301      0.747609
  H      -2.129750     -0.174487      2.798553
  H      -3.714132     -2.500271      5.184306
  H      -6.661860     -7.566760      5.754792
  H      -8.564311     -6.638910      6.998382
  H      -9.142741     -4.214016      6.810962
  H      -7.792657     -2.725464      5.409609
  H      -6.449442     -1.718170      4.536416
  H       0.308453     -4.795605      4.698070
  H       1.356745     -3.925339      6.738453
  H      -0.065140     -3.289087      8.706283
  H      -2.531343     -3.544760      8.553555
  H      -5.732481     -4.637586      7.378213
  N      -5.405332     -4.859131      1.598554
  H      -6.366905     -5.035855      1.890096
  H      -5.387940     -4.213158      0.809698
74
Coordinates from ORCA-job orca E -7299.044134865201
  N      -2.800465     -4.340791      1.278132
  C      -2.656416     -5.336726      0.224862
  C      -3.340917     -6.622548      0.658669
  N      -3.268157     -6.721362      2.139819
  C      -4.196149     -7.776556      2.629721
  C      -4.681483     -7.476833      4.036171
  N      -5.046634     -6.072699      4.088953
  Mo     -3.923334     -4.687811      2.992050
  N      -2.258402     -5.295100      4.278450
  C      -1.605926     -6.566912      3.971331
  C      -1.857115     -6.963903      2.538917
  H      -1.954393     -7.345321      4.676678
  H      -0.514851     -6.515817      4.117027
  H      -1.599339     -8.022231      2.364231
  H      -1.226060     -6.346515      1.889593
  H      -5.546958     -8.127441      4.234991
  H      -3.922929     -7.711917      4.800182
  H      -5.063721     -7.766718      1.957240
  H      -3.712986     -8.765344      2.562294
  H      -1.584418     -5.504294      0.015285
  H      -3.102772     -4.985291     -0.722420
  H      -2.875807     -7.508810      0.194840
  H      -4.404356     -6.583505      0.403211
  C      -2.144298     -3.160464      1.114727
  C      -1.421420     -2.763376     -0.035323
  C      -0.963100     -1.457262     -0.136276
  C      -1.223787     -0.517911      0.879473
  C      -1.880330     -0.908549      2.035025
  C      -2.274946     -2.248070      2.194492
  N      -2.934604     -2.772581      3.297036
  C      -2.941097     -2.180680      4.493553
  C      -2.019724     -1.271022      5.140302
  O      -2.289684     -0.615805      6.121639
  Cl     -0.277545     -1.274913      4.565494
  C      -6.110842     -5.674319      4.817699
  C      -6.909213     -6.511324      5.643437
  C      -7.978933     -5.985506      6.349453
  C      -8.294763     -4.618071      6.259418
  C      -7.521021     -3.776696      5.471624
  C      -6.406395     -4.275916      4.768165
  N      -5.558986     -3.530917      3.951140
  C      -5.815893     -2.222344      3.807434
  C      -5.447265     -1.438058      2.669075
  O      -5.002433     -1.747544      1.589811
  Cl     -5.834281      0.343171      2.996282
  C      -1.718489     -4.712241      5.423565
  C      -0.315653     -4.566093      5.556521
  C       0.281259     -4.072291      6.703624
  C      -0.509229     -3.711923      7.804456
  C      -1.881932     -3.860041      7.728544
  C      -2.512052     -4.350840      6.563561
  N      -3.890852     -4.356248      6.510465
  C      -4.660128     -4.874146      7.402297
  C      -4.250090     -5.892569      8.403065
  O      -3.249524     -6.547521      8.459357
  Cl     -5.623910     -6.190015      9.586140
  H      -1.275619     -3.456824     -0.862348
  H      -0.437309     -1.143580     -1.039796
  H      -0.928754      0.523584      0.750616
  H      -2.129344     -0.174895      2.799765
  H      -3.725991     -2.494895      5.180043
  H      -6.666624     -7.567234      5.750083
  H      -8.570186     -6.639416      6.992151
  H      -9.145955     -4.213680      6.807478
  H      -7.793534     -2.724702      5.409116
  H      -6.453392     -1.718705      4.531177
  H       0.307942     -4.793726      4.691398
  H       1.362048     -3.927631      6.730624
  H      -0.054371     -3.294838      8.703468
  H      -2.521019     -3.549276      8.556813
  H      -5.726485     -4.636343      7.387632
  N      -5.406647     -4.859239      1.597539
  H      -6.367975     -5.036374      1.889609
  H      -5.390531     -4.213540      0.808285
74
Coordinates from ORCA-job orca E -7299.044144681813
  N      -2.797229     -4.340993      1.280126
  C      -2.650998     -5.336546      0.226618
  C      -3.337466     -6.622047      0.657818
  N      -3.268784     -6.721767      2.139325
  C      -4.199814     -7.775993      2.625417
  C      -4.686207     -7.478149      4.031813
  N      -5.049279     -6.073418      4.086215
  Mo     -3.924306     -4.688437      2.990791
  N      -2.260096     -5.295022      4.278810
  C      -1.610579     -6.569054      3.974735
  C      -1.858952     -6.966375      2.541907
  H      -1.963742     -7.346175      4.679149
  H      -0.519851     -6.521713      4.124178
  H      -1.602578     -8.025281      2.368511
  H      -1.225581     -6.350453      1.893445
  H      -5.552439     -8.127975      4.229358
  H      -3.927864     -7.714642      4.795539
  H      -5.066183     -7.762401      1.951458
  H      -3.718787     -8.765756      2.556521
  H      -1.578411     -5.504279      0.020253
  H      -3.095478     -4.984213     -0.721186
  H      -2.872836     -7.509060      0.195091
  H      -4.400295     -6.580858      0.400245
  C      -2.141912     -3.160011      1.117373
  C      -1.417551     -2.762702     -0.031692
  C      -0.961744     -1.455755     -0.133141
  C      -1.226801     -0.515785      0.880875
  C      -1.884697     -0.906599      2.035592
  C      -2.276184     -2.246956      2.196069
  N      -2.935441     -2.772672      3.298478
  C      -2.941937     -2.182840      4.495804
  C      -2.022363     -1.271830      5.143965
  O      -2.295851     -0.614577      6.122904
  Cl     -0.279846     -1.270866      4.570710
  C      -6.111100     -5.673940      4.817879
  C      -6.907587     -6.510428      5.646045
  C      -7.974761     -5.983908      6.355401
  C      -8.289672     -4.616198      6.266714
  C      -7.517909     -3.775363      5.476372
  C      -6.406220     -4.275387      4.768861
  N      -5.561051     -3.531571      3.948439
  C      -5.820160     -2.223877      3.800125
  C      -5.449498     -1.441935      2.660925
  O      -4.999529     -1.752994      1.584204
  Cl     -5.845770      0.338720      2.980522
  C      -1.718713     -4.711308      5.422989
  C      -0.315724     -4.566917      5.554786
  C       0.282883     -4.074119      6.701493
  C      -0.506281     -3.712712      7.802882
  C      -1.879367     -3.858704      7.727964
  C      -2.510800     -4.348443      6.563320
  N      -3.889682     -4.353116      6.511394
  C      -4.658865     -4.873032      7.401719
  C      -4.247617     -5.892360      8.401325
  O      -3.246947     -6.547312      8.455142
  Cl     -5.619276     -6.191094      9.586209
  H      -1.269112     -3.456539     -0.857894
  H      -0.434905     -1.141932     -1.036001
  H      -0.934169      0.526289      0.751207
  H      -2.137492     -0.172543      2.798615
  H      -3.725210     -2.500263      5.182608
  H      -6.665427     -7.566493      5.751941
  H      -8.564509     -6.637501      6.999804
  H      -9.138248     -4.210946      6.818181
  H      -7.789241     -2.722969      5.416006
  H      -6.460630     -1.719414      4.520547
  H       0.306678     -4.795607      4.689011
  H       1.363931     -3.931287      6.727831
  H      -0.050137     -3.296756      8.701769
  H      -2.517388     -3.547550      8.556918
  H      -5.725392     -4.635796      7.387507
  N      -5.405520     -4.857383      1.593308
  H      -6.367259     -5.035273      1.883519
  H      -5.388737     -4.208683      0.806493
74
Coordinates from ORCA-job orca E -7299.044150807642
  N      -2.791668     -4.342332      1.282614
  C      -2.640678     -5.337771      0.229447
  C      -3.333246     -6.621238      0.655674
  N      -3.271802     -6.723225      2.137582
  C      -4.208508     -7.775880      2.615788
  C      -4.697767     -7.482295      4.021730
  N      -5.054759     -6.075965      4.080260
  Mo     -3.926492     -4.690024      2.988238
  N      -2.263987     -5.294015      4.278254
  C      -1.619836     -6.572125      3.979852
  C      -1.864501     -6.972324      2.546953
  H      -1.979542     -7.345709      4.684806
  H      -0.529566     -6.529636      4.133884
  H      -1.611620     -8.032690      2.377340
  H      -1.226242     -6.360708      1.899248
  H      -5.567652     -8.128702      4.214182
  H      -3.942565     -7.725610      4.786478
  H      -5.072597     -7.755226      1.939062
  H      -3.731389     -8.767330      2.543595
  H      -1.567000     -5.507837      0.030580
  H      -3.078479     -4.983949     -0.720877
  H      -2.870863     -7.509956      0.194075
  H      -4.394970     -6.574424      0.394331
  C      -2.135763     -3.161392      1.121911
  C      -1.405764     -2.765283     -0.024090
  C      -0.950076     -1.458272     -0.125086
  C      -1.220754     -0.516959      0.886187
  C      -1.884248     -0.906551      2.038115
  C      -2.275654     -2.246899      2.198599
  N      -2.939736     -2.771866      3.298645
  C      -2.953560     -2.180675      4.494585
  C      -2.042751     -1.261369      5.144654
  O      -2.326204     -0.603417      6.120130
  Cl     -0.296353     -1.256233      4.585365
  C      -6.110649     -5.674603      4.819521
  C      -6.902307     -6.510432      5.653111
  C      -7.964137     -5.983063      6.369819
  C      -8.277789     -4.614882      6.284158
  C      -7.510636     -3.774693      5.488611
  C      -6.405053     -4.275786      4.772327
  N      -5.565150     -3.533548      3.945043
  C      -5.827485     -2.227031      3.791995
  C      -5.454188     -1.445701      2.653369
  O      -4.996263     -1.755915      1.579739
  Cl     -5.861813      0.333609      2.967401
  C      -1.719415     -4.708471      5.420285
  C      -0.316172     -4.565941      5.549437
  C       0.284950     -4.072407      6.694617
  C      -0.502168     -3.708164      7.796474
  C      -1.875707     -3.852230      7.723828
  C      -2.509037     -4.342914      6.560731
  N      -3.888211     -4.347981      6.510843
  C      -4.655844     -4.873500      7.398694
  C      -4.240960     -5.895912      8.394136
  O      -3.239035     -6.549281      8.442686
  Cl     -5.607832     -6.199374      9.582652
  H      -1.252819     -3.460133     -0.848595
  H      -0.418703     -1.145535     -1.025667
  H      -0.928109      0.525101      0.756434
  H      -2.141457     -0.171476      2.798661
  H      -3.736802     -2.501981      5.179644
  H      -6.660262     -7.566674      5.757381
  H      -8.549946     -6.636236      7.018236
  H      -9.121194     -4.208453      6.842646
  H      -7.780306     -2.721665      5.432357
  H      -6.472015     -1.722564      4.508666
  H       0.304379     -4.797728      4.683071
  H       1.366311     -3.931708      6.719496
  H      -0.044113     -3.292084      8.694340
  H      -2.512126     -3.539750      8.553528
  H      -5.722910     -4.638325      7.386292
  N      -5.404223     -4.853019      1.585113
  H      -6.366763     -5.032125      1.871984
  H      -5.385946     -4.197382      0.803977
74
Coordinates from ORCA-job orca E -7299.044154065191
  N      -2.791267     -4.342699      1.283824
  C      -2.640672     -5.337410      0.229657
  C      -3.334129     -6.620800      0.654798
  N      -3.273676     -6.723532      2.136803
  C      -4.211756     -7.775619      2.613526
  C      -4.699505     -7.483470      4.020144
  N      -5.055911     -6.076918      4.079813
  Mo     -3.928498     -4.690755      2.987582
  N      -2.264690     -5.293194      4.277577
  C      -1.619954     -6.570832      3.978624
  C      -1.866626     -6.973390      2.546621
  H      -1.977401     -7.344172      4.684996
  H      -0.529401     -6.527265      4.130177
  H      -1.614978     -8.034336      2.378886
  H      -1.228126     -6.363846      1.897243
  H      -5.569266     -8.129716      4.213634
  H      -3.943030     -7.727210      4.783507
  H      -5.076196     -7.751622      1.937352
  H      -3.736586     -8.767840      2.539018
  H      -1.567135     -5.507717      0.030498
  H      -3.078740     -4.982232     -0.720000
  H      -2.872490     -7.509816      0.193083
  H      -4.395749     -6.572604      0.393202
  C      -2.133390     -3.162707      1.124680
  C      -1.400447     -2.767540     -0.019803
  C      -0.942196     -1.461342     -0.119555
  C      -1.213197     -0.519745      0.891348
  C      -1.879864     -0.908398      2.041754
  C      -2.273928     -2.248083      2.201235
  N      -2.942133     -2.771566      3.299528
  C      -2.959863     -2.179719      4.494725
  C      -2.051180     -1.259813      5.147388
  O      -2.340127     -0.595918      6.117125
  Cl     -0.302464     -1.256987      4.595961
  C      -6.111077     -5.675672      4.820256
  C      -6.901709     -6.511645      5.654563
  C      -7.962458     -5.984350      6.372966
  C      -8.275546     -4.615967      6.288794
  C      -7.509471     -3.775655      5.492294
  C      -6.405731     -4.276953      4.773352
  N      -5.567475     -3.535130      3.943974
  C      -5.832193     -2.229360      3.788588
  C      -5.457610     -1.447503      2.650827
  O      -4.994973     -1.756162      1.578744
  Cl     -5.871095      0.330813      2.963449
  C      -1.718882     -4.707232      5.418636
  C      -0.315295     -4.565933      5.547194
  C       0.286855     -4.071471      6.691382
  C      -0.499359     -3.704992      7.793190
  C      -1.873021     -3.847855      7.721252
  C      -2.507407     -4.339413      6.559064
  N      -3.886670     -4.343837      6.510449
  C      -4.653956     -4.870959      7.397652
  C      -4.238622     -5.895318      8.390947
  O      -3.237243     -6.549749      8.436829
  Cl     -5.603441     -6.198509      9.581696
  H      -1.247040     -3.462378     -0.844224
  H      -0.408396     -1.149392     -1.018978
  H      -0.918443      0.521814      0.762343
  H      -2.137581     -0.172969      2.801792
  H      -3.745423     -2.500594      5.177408
  H      -6.659893     -7.568055      5.757901
  H      -8.547372     -6.637684      7.022029
  H      -9.117404     -4.209329      6.849457
  H      -7.778184     -2.722253      5.437942
  H      -6.480056     -1.725860      4.502889
  H       0.304884     -4.799718      4.681120
  H       1.368411     -3.932099      6.715623
  H      -0.040487     -3.288357      8.690383
  H      -2.508916     -3.533955      8.550818
  H      -5.720927     -4.635306      7.386425
  N      -5.405096     -4.852106      1.582820
  H      -6.367461     -5.033759      1.868871
  H      -5.388159     -4.194180      0.803490
74
Coordinates from ORCA-job orca E -7299.044155944968
  N      -2.791884     -4.342549      1.283851
  C      -2.642999     -5.336790      0.228884
  C      -3.335136     -6.620751      0.654956
  N      -3.273379     -6.723043      2.136894
  C      -4.210535     -7.775201      2.615316
  C      -4.697109     -7.482173      4.022194
  N      -5.055307     -6.076100      4.080832
  Mo     -3.928488     -4.690485      2.987914
  N      -2.263876     -5.293729      4.277681
  C      -1.618558     -6.570701      3.977439
  C      -1.865899     -6.972331      2.545342
  H      -1.975181     -7.344817      4.683453
  H      -0.527906     -6.527025      4.128387
  H      -1.613702     -8.032970      2.376597
  H      -1.228226     -6.361819      1.896020
  H      -5.565717     -8.129528      4.217296
  H      -3.939560     -7.723871      4.785146
  H      -5.075726     -7.751782      1.940088
  H      -3.735203     -8.767349      2.541020
  H      -1.569906     -5.506695      0.027280
  H      -3.083331     -4.981172     -0.719537
  H      -2.872831     -7.509413      0.193206
  H      -4.396928     -6.573839      0.393878
  C      -2.133768     -3.162743      1.124591
  C      -1.401401     -2.767480     -0.020226
  C      -0.942811     -1.461396     -0.119910
  C      -1.212950     -0.519947      0.891344
  C      -1.879150     -0.908649      2.042007
  C      -2.273549     -2.248247      2.201414
  N      -2.941586     -2.771531      3.299891
  C      -2.958905     -2.179616      4.495096
  C      -2.049877     -1.259905      5.147434
  O      -2.337817     -0.597548      6.118544
  Cl     -0.301300     -1.257995      4.595652
  C      -6.111218     -5.675157      4.820338
  C      -6.902648     -6.511154      5.653818
  C      -7.963510     -5.983708      6.371918
  C      -8.275981     -4.615138      6.288209
  C      -7.509399     -3.774866      5.492183
  C      -6.405658     -4.276391      4.773374
  N      -5.567066     -3.534767      3.944054
  C      -5.832304     -2.229307      3.787347
  C      -5.457452     -1.448171      2.649180
  O      -4.994361     -1.757324      1.577439
  Cl     -5.871283      0.330341      2.960620
  C      -1.718590     -4.707990      5.418904
  C      -0.315046     -4.566170      5.548039
  C       0.286541     -4.071629      6.692438
  C      -0.500143     -3.705476      7.794077
  C      -1.873684     -3.848781      7.721643
  C      -2.507646     -4.340476      6.559240
  N      -3.886865     -4.345484      6.510432
  C      -4.654394     -4.872521      7.397521
  C      -4.239290     -5.896073      8.391682
  O      -3.237229     -6.549349      8.439356
  Cl     -5.605824     -6.200607      9.580162
  H      -1.248655     -3.462085     -0.844963
  H      -0.409461     -1.149390     -1.019583
  H      -0.917959      0.521550      0.762373
  H      -2.136333     -0.173281      2.802278
  H      -3.744410     -2.500351      5.177900
  H      -6.661452     -7.567745      5.756844
  H      -8.548993     -6.637078      7.020434
  H      -9.117845     -4.208397      6.848785
  H      -7.777568     -2.721302      5.438174
  H      -6.481156     -1.725588      4.500573
  H       0.305585     -4.799460      4.682166
  H       1.368018     -3.931703      6.716920
  H      -0.041688     -3.288683      8.691406
  H      -2.510053     -3.535222      8.550973
  H      -5.721450     -4.637321      7.385472
  N      -5.405118     -4.852564      1.583670
  H      -6.367341     -5.034191      1.870286
  H      -5.389066     -4.195644      0.803496
74
Coordinates from ORCA-job orca E -7299.044158297003
  N      -2.790667     -4.342972      1.284778
  C      -2.642126     -5.336760      0.229211
  C      -3.335205     -6.620434      0.654785
  N      -3.274221     -6.722796      2.136645
  C      -4.211694     -7.774845      2.614654
  C      -4.699141     -7.481746      4.021119
  N      -5.057427     -6.075730      4.079410
  Mo     -3.929081     -4.690495      2.987992
  N      -2.264668     -5.294524      4.278257
  C      -1.620608     -6.572076      3.978207
  C      -1.867154     -6.973006      2.545777
  H      -1.978586     -7.345850      4.684001
  H      -0.530009     -6.529795      4.130225
  H      -1.615384     -8.033657      2.376619
  H      -1.228558     -6.362419      1.897372
  H      -5.568237     -8.128992      4.214879
  H      -3.943073     -7.724006      4.785421
  H      -5.076735     -7.751104      1.939227
  H      -3.736649     -8.767115      2.540463
  H      -1.569182     -5.507625      0.027763
  H      -3.082154     -4.980241     -0.718994
  H      -2.872603     -7.509150      0.193384
  H      -4.396752     -6.573462      0.392761
  C      -2.131993     -3.163486      1.126080
  C      -1.398292     -2.768663     -0.018087
  C      -0.939252     -1.462747     -0.117669
  C      -1.210328     -0.520860      0.892903
  C      -1.877918     -0.909055      2.042938
  C      -2.272621     -2.248541      2.202494
  N      -2.942150     -2.771194      3.300422
  C      -2.961715     -2.178537      4.495120
  C      -2.055166     -1.256726      5.148215
  O      -2.346116     -0.594305      6.118383
  Cl     -0.305532     -1.253687      4.600736
  C      -6.112420     -5.674619      4.820106
  C      -6.903999     -6.510719      5.653350
  C      -7.963549     -5.982968      6.373124
  C      -8.274263     -4.613841      6.291736
  C      -7.507807     -3.773576      5.495596
  C      -6.405917     -4.275613      4.774310
  N      -5.568116     -3.534524      3.943472
  C      -5.835156     -2.229944      3.783626
  C      -5.459146     -1.449729      2.645192
  O      -4.993157     -1.759067      1.574795
  Cl     -5.875679      0.328806      2.954181
  C      -1.718341     -4.708128      5.418529
  C      -0.314826     -4.565498      5.546432
  C       0.287289     -4.069918      6.690113
  C      -0.498811     -3.703350      7.792046
  C      -1.872328     -3.847410      7.720744
  C      -2.506762     -4.340296      6.559120
  N      -3.886063     -4.346835      6.511474
  C      -4.652257     -4.876093      7.398252
  C      -4.234582     -5.899156      8.391974
  O      -3.230380     -6.549092      8.439885
  Cl     -5.601159     -6.209018      9.578829
  H      -1.244717     -3.463453     -0.842505
  H      -0.404861     -1.151181     -1.016881
  H      -0.915090      0.520550      0.763816
  H      -2.136010     -0.173171      2.802381
  H      -3.747647     -2.499906      5.177138
  H      -6.663864     -7.567672      5.755089
  H      -8.549034     -6.636436      7.021536
  H      -9.114564     -4.206700      6.854360
  H      -7.774308     -2.719474      5.444058
  H      -6.486875     -1.725948      4.493962
  H       0.305300     -4.799108      4.680268
  H       1.368707     -3.929399      6.713734
  H      -0.039883     -3.285772      8.688765
  H      -2.508423     -3.534076      8.550373
  H      -5.719705     -4.642744      7.386812
  N      -5.404249     -4.851008      1.582305
  H      -6.366727     -5.032365      1.868301
  H      -5.388120     -4.192796      0.803266
