77
Coordinates from ORCA-job orca E -7408.239993855815
  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
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  H      -3.094947     -4.962130     -0.134012
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  H      -3.813416     -7.090374      0.519731
  H      -5.088489     -6.437036      1.586035
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  C      -2.383500     -2.492724      0.129391
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  C      -2.315720     -2.152338      2.541662
  N      -2.714241     -2.643529      3.748529
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  C      -0.859435     -1.720137      5.069671
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  Cl      0.283872     -2.552045      3.950826
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  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
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  C      -1.441755     -5.112685      5.469058
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  C       0.128735     -5.152284      7.292352
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  N      -3.605301     -4.253288      5.746051
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  C      -4.999503     -4.499897      7.734761
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  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
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  H      -4.646141     -5.502698      1.344926
  H      -5.851288     -4.809562      2.191246
  N      -1.718411     -3.969583      2.834247
  N      -0.467217     -3.569150      2.295204
77
Coordinates from ORCA-job orca E -7408.360897117834
  N      -3.292389     -4.099234      1.747313
  C      -3.789190     -4.921403      0.649865
  C      -4.026236     -6.351418      1.230108
  N      -3.164354     -6.476774      2.427738
  C      -3.460544     -7.731645      3.169341
  C      -4.045380     -7.361978      4.545473
  N      -4.667654     -6.061572      4.377276
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  N      -1.845669     -5.289098      4.199326
  C      -0.958329     -6.059734      3.333821
  C      -1.731128     -6.430932      2.065223
  H      -0.632829     -6.959829      3.872378
  H      -0.073426     -5.463598      3.080904
  H      -1.405076     -7.403889      1.681220
  H      -1.549770     -5.689090      1.285807
  H      -4.767198     -8.117135      4.863626
  H      -3.259992     -7.294728      5.312686
  H      -4.192694     -8.318008      2.605276
  H      -2.558268     -8.333776      3.290152
  H      -3.071654     -4.958566     -0.177308
  H      -4.717162     -4.470516      0.268778
  H      -3.779644     -7.128446      0.485647
  H      -5.092109     -6.479174      1.550113
  C      -2.672534     -2.936965      1.397805
  C      -2.367288     -2.477868      0.102417
  C      -1.748796     -1.257782     -0.062584
  C      -1.452569     -0.443223      1.038183
  C      -1.740590     -0.865617      2.318132
  C      -2.304800     -2.134650      2.524347
  N      -2.706706     -2.630280      3.741334
  C      -2.198927     -2.068233      4.858814
  C      -0.849550     -1.704561      5.081762
  O      -0.370868     -1.044856      5.977500
  Cl      0.300122     -2.554254      3.969702
  C      -5.931184     -5.831432      4.822224
  C      -6.747404     -6.677308      5.595258
  C      -8.033676     -6.288316      5.907220
  C      -8.548900     -5.071561      5.449150
  C      -7.760767     -4.211503      4.710540
  C      -6.435058     -4.562641      4.414345
  N      -5.540886     -3.801264      3.673913
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  C      -5.463532     -1.701673      2.444006
  O      -5.089570     -2.038449      1.342419
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  C      -1.430690     -5.123176      5.481836
  C      -0.161031     -5.453498      6.001039
  C       0.138363     -5.165622      7.311536
  C      -0.794792     -4.516502      8.136709
  C      -2.045119     -4.202318      7.664296
  C      -2.408304     -4.542903      6.344646
  N      -3.606361     -4.251156      5.751860
  C      -4.677168     -3.908809      6.489340
  C      -5.018218     -4.494960      7.738845
  O      -4.592760     -5.463693      8.316971
  Cl     -6.464125     -3.638427      8.443967
  H      -2.637183     -3.051183     -0.771455
  H      -1.518548     -0.905097     -1.058853
  H      -1.015778      0.533876      0.881784
  H      -1.564970     -0.216870      3.166448
  H      -2.856176     -1.917060      5.716392
  H      -6.376443     -7.622979      5.962788
  H      -8.656925     -6.939289      6.505506
  H      -9.571823     -4.802606      5.674077
  H      -8.177042     -3.287433      4.333795
  H      -6.473238     -2.011329      4.295577
  H       0.595928     -5.890744      5.367371
  H       1.116945     -5.406498      7.704475
  H      -0.516828     -4.241662      9.145011
  H      -2.743074     -3.655142      8.280642
  H      -5.375109     -3.193713      6.081470
  N      -5.037527     -5.385805      2.277219
  H      -5.370688     -6.304464      2.575544
  H      -4.649040     -5.504326      1.308918
  H      -5.875543     -4.803748      2.178037
  N      -1.698796     -3.971583      2.824088
  N      -0.484592     -3.591303      2.312548
77
Coordinates from ORCA-job orca E -7408.465589984475
  N      -3.287448     -4.093177      1.714616
  C      -3.774789     -4.918192      0.606793
  C      -4.006432     -6.379709      1.198848
  N      -3.151019     -6.495068      2.415159
  C      -3.450374     -7.747701      3.169007
  C      -4.043869     -7.370844      4.548748
  N      -4.677955     -6.071863      4.385721
  Mo     -3.596181     -4.568400      3.633688
  N      -1.832885     -5.302221      4.203554
  C      -0.944409     -6.081291      3.337843
  C      -1.712526     -6.450526      2.061804
  H      -0.625259     -6.983417      3.879731
  H      -0.054977     -5.490377      3.086039
  H      -1.386028     -7.427029      1.684278
  H      -1.526466     -5.712599      1.279603
  H      -4.763145     -8.128947      4.869951
  H      -3.255197     -7.299741      5.313059
  H      -4.178287     -8.341234      2.604166
  H      -2.544976     -8.345416      3.297734
  H      -3.051102     -4.954333     -0.216498
  H      -4.703491     -4.470885      0.216183
  H      -3.746653     -7.161875      0.457260
  H      -5.089806     -6.518459      1.514125
  C      -2.665323     -2.921072      1.369118
  C      -2.358224     -2.460294      0.077507
  C      -1.739565     -1.234207     -0.084183
  C      -1.447849     -0.421408      1.019073
  C      -1.738639     -0.847517      2.302880
  C      -2.298846     -2.115838      2.507548
  N      -2.702756     -2.616464      3.734553
  C      -2.195071     -2.051736      4.860795
  C      -0.846440     -1.688113      5.094663
  O      -0.371375     -1.023868      5.993533
  Cl      0.307153     -2.557598      3.990454
  C      -5.943198     -5.832800      4.833612
  C      -6.758733     -6.678699      5.609847
  C      -8.046158     -6.287505      5.929858
  C      -8.561851     -5.067450      5.476314
  C      -7.773264     -4.205299      4.733748
  C      -6.448665     -4.556887      4.429577
  N      -5.557855     -3.785064      3.681901
  C      -5.858538     -2.466576      3.568164
  C      -5.497747     -1.678687      2.452463
  O      -5.132399     -2.016774      1.342107
  Cl     -5.752996      0.088181      2.782871
  C      -1.420956     -5.133867      5.494332
  C      -0.153149     -5.467650      6.015926
  C       0.145740     -5.178441      7.330142
  C      -0.789010     -4.524960      8.152061
  C      -2.040453     -4.206941      7.674267
  C      -2.402288     -4.547690      6.353810
  N      -3.607356     -4.249652      5.758189
  C      -4.682010     -3.903845      6.496500
  C      -5.028583     -4.492314      7.745526
  O      -4.603110     -5.467020      8.323373
  Cl     -6.475738     -3.629355      8.452846
  H      -2.625777     -3.034887     -0.799325
  H      -1.507385     -0.878718     -1.081601
  H      -1.011826      0.558896      0.864977
  H      -1.565472     -0.198658      3.153594
  H      -2.857749     -1.900568      5.713632
  H      -6.385964     -7.627461      5.974729
  H      -8.668436     -6.940197      6.531554
  H      -9.585239     -4.796002      5.707374
  H      -8.190089     -3.277449      4.360462
  H      -6.491778     -1.992063      4.315433
  H       0.604646     -5.909032      5.381837
  H       1.124956     -5.422413      7.726132
  H      -0.512981     -4.248717      9.163072
  H      -2.739576     -3.655959      8.289675
  H      -5.377256     -3.185037      6.087279
  N      -5.056566     -5.383236      2.264684
  H      -5.390864     -6.298528      2.573732
  H      -4.653832     -5.505479      1.276433
  H      -5.897951     -4.801260      2.161483
  N      -1.680441     -3.972678      2.813103
  N      -0.521808     -3.618318      2.334477
77
Coordinates from ORCA-job orca E -7408.554980739244
  N      -3.282028     -4.087923      1.682299
  C      -3.759163     -4.915870      0.566902
  C      -3.985258     -6.406963      1.169690
  N      -3.138153     -6.512212      2.403275
  C      -3.441399     -7.761346      3.169005
  C      -4.042587     -7.377460      4.551218
  N      -4.686689     -6.080788      4.393193
  Mo     -3.596538     -4.567727      3.628574
  N      -1.821124     -5.316472      4.208447
  C      -0.932675     -6.103727      3.344151
  C      -1.695317     -6.469852      2.060238
  H      -0.620848     -7.007739      3.889115
  H      -0.038046     -5.518791      3.094192
  H      -1.368927     -7.449926      1.689319
  H      -1.503924     -5.735943      1.275393
  H      -4.759578     -8.138078      4.875421
  H      -3.250749     -7.303081      5.312487
  H      -4.165116     -8.361372      2.603497
  H      -2.533476     -8.354975      3.305817
  H      -3.029058     -4.951573     -0.251891
  H      -4.688333     -4.473289      0.166524
  H      -3.711869     -7.193204      0.432760
  H      -5.081794     -6.556569      1.477577
  C      -2.658735     -2.906221      1.341416
  C      -2.350106     -2.443093      0.053947
  C      -1.732362     -1.211061     -0.104332
  C      -1.445577     -0.400342      1.000834
  C      -1.738694     -0.830488      2.287619
  C      -2.294106     -2.098025      2.490432
  N      -2.699199     -2.603061      3.726700
  C      -2.193155     -2.036300      4.860200
  C      -0.845845     -1.672477      5.107010
  O      -0.378122     -1.003589      6.008519
  Cl      0.313447     -2.561383      4.013686
  C      -5.951607     -5.832429      4.843407
  C      -6.766169     -6.678078      5.622600
  C      -8.053560     -6.284869      5.950970
  C      -8.569432     -5.061702      5.502700
  C      -7.780992     -4.198071      4.756777
  C      -6.458121     -4.550058      4.444162
  N      -5.572702     -3.768310      3.690216
  C      -5.879665     -2.447277      3.582529
  C      -5.533700     -1.656534      2.462685
  O      -5.180385     -1.993562      1.345124
  Cl     -5.791955      0.112451      2.799151
  C      -1.413806     -5.145685      5.505772
  C      -0.148845     -5.483638      6.030515
  C       0.149037     -5.192769      7.347839
  C      -0.786413     -4.534028      8.165529
  C      -2.037674     -4.211521      7.681734
  C      -2.397446     -4.552709      6.361000
  N      -3.607244     -4.248238      5.762801
  C      -4.683627     -3.898810      6.501653
  C      -5.035135     -4.489323      7.749884
  O      -4.610817     -5.468528      8.326316
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  H      -2.614794     -3.018572     -0.825688
  H      -1.498711     -0.852795     -1.102504
  H      -1.011004      0.583022      0.849400
  H      -1.568157     -0.181755      3.140692
  H      -2.862469     -1.885100      5.707530
  H      -6.391721     -7.629668      5.984217
  H      -8.674461     -6.939121      6.555810
  H      -9.592654     -4.787669      5.740187
  H      -8.198108     -3.266592      4.387593
  H      -6.508486     -1.976521      4.337761
  H       0.609355     -5.929926      5.396900
  H       1.128095     -5.440423      7.747148
  H      -0.512726     -4.256255      9.178803
  H      -2.737550     -3.656094      8.295358
  H      -5.375766     -3.176042      6.091524
  N      -5.074493     -5.380409      2.250402
  H      -5.410082     -6.291794      2.569153
  H      -4.657729     -5.506362      1.246502
  H      -5.917870     -4.799127      2.142909
  N      -1.660982     -3.975064      2.801185
  N      -0.562063     -3.648390      2.355998
77
Coordinates from ORCA-job orca E -7408.628369052075
  N      -3.277556     -4.083108      1.649240
  C      -3.743184     -4.914391      0.528748
  C      -3.962548     -6.434685      1.141549
  N      -3.125908     -6.529101      2.391576
  C      -3.433747     -7.773358      3.169393
  C      -4.041781     -7.382409      4.553101
  N      -4.694554     -6.088816      4.400115
  Mo     -3.597175     -4.567537      3.622689
  N      -1.810788     -5.332557      4.214344
  C      -0.923289     -6.128072      3.352974
  C      -1.679338     -6.489675      2.060452
  H      -0.619971     -7.034004      3.900735
  H      -0.022549     -5.550224      3.105702
  H      -1.353572     -7.473433      1.696410
  H      -1.481779     -5.759976      1.273047
  H      -4.756484     -8.145371      4.880327
  H      -3.246747     -7.305217      5.311100
  H      -4.153137     -8.379552      2.603303
  H      -2.523745     -8.363040      3.314717
  H      -3.006254     -4.949975     -0.284936
  H      -4.672905     -4.478418      0.118054
  H      -3.674273     -7.224044      0.411100
  H      -5.068186     -6.595995      1.439143
  C      -2.654846     -2.891194      1.314045
  C      -2.345623     -2.424217      0.030933
  C      -1.730575     -1.185857     -0.123666
  C      -1.449055     -0.377564      0.983116
  C      -1.743381     -0.812596      2.272047
  C      -2.292581     -2.079956      2.472539
  N      -2.697202     -2.589372      3.717492
  C      -2.193933     -2.021500      4.856609
  C      -0.847937     -1.656304      5.119251
  O      -0.393830     -0.982902      6.024679
  Cl      0.325677     -2.559259      4.040822
  C      -5.957641     -5.830750      4.852272
  C      -6.771155     -6.676034      5.634272
  C      -8.057454     -6.280976      5.971472
  C      -8.573327     -5.054652      5.529393
  C      -7.785626     -4.189929      4.780686
  C      -6.464863     -4.542217      4.458856
  N      -5.586095     -3.751064      3.699663
  C      -5.896386     -2.429351      3.598554
  C      -5.561632     -1.638476      2.473574
  O      -5.219936     -1.976961      1.352181
  Cl     -5.817887      0.133783      2.813210
  C      -1.409734     -5.159244      5.516701
  C      -0.148426     -5.502231      6.045558
  C       0.148073     -5.209218      7.365395
  C      -0.787185     -4.544007      8.177979
  C      -2.037004     -4.216250      7.687479
  C      -2.394149     -4.558311      6.366812
  N      -3.606463     -4.247291      5.766211
  C      -4.682745     -3.893980      6.505855
  C      -5.038492     -4.486481      7.753102
  O      -4.616250     -5.469198      8.327199
  Cl     -6.484041     -3.608099      8.467209
  H      -2.606946     -3.000105     -0.851561
  H      -1.496475     -0.824414     -1.122307
  H      -1.017132      0.609078      0.834803
  H      -1.575675     -0.164330      3.127595
  H      -2.870944     -1.871243      5.697919
  H      -6.395133     -7.630315      5.991958
  H      -8.676580     -6.936776      6.579239
  H      -9.595823     -4.777948      5.773789
  H      -8.202883     -3.254862      4.416466
  H      -6.519859     -1.960505      4.360906
  H       0.609767     -5.954409      5.413307
  H       1.126283     -5.461235      7.768290
  H      -0.516172     -4.264454      9.193140
  H      -2.737214     -3.655561      8.298486
  H      -5.371456     -3.166893      6.095525
  N      -5.093447     -5.377433      2.234419
  H      -5.430391     -6.284411      2.562473
  H      -4.662433     -5.507180      1.218562
  H      -5.937834     -4.797518      2.122426
  N      -1.640471     -3.978374      2.787613
  N      -0.587919     -3.674969      2.370091
77
Coordinates from ORCA-job orca E -7408.688743705109
  N      -3.273880     -4.078893      1.615543
  C      -3.726660     -4.913953      0.492485
  C      -3.938149     -6.462976      1.114556
  N      -3.114411     -6.545808      2.379983
  C      -3.427763     -7.783867      3.170149
  C      -4.041777     -7.385890      4.554375
  N      -4.701804     -6.095865      4.406365
  Mo     -3.598295     -4.567917      3.615933
  N      -1.801957     -5.350473      4.221025
  C      -0.916171     -6.154360      3.363937
  C      -1.664483     -6.510036      2.062393
  H      -0.622533     -7.062417      3.914177
  H      -0.008448     -5.584739      3.120191
  H      -1.339894     -7.497621      1.705409
  H      -1.459850     -5.784665      1.272652
  H      -4.754213     -8.151046      4.884593
  H      -3.243538     -7.306481      5.308961
  H      -4.142750     -8.395880      2.603524
  H      -2.516179     -8.369837      3.324428
  H      -2.982455     -4.949931     -0.315470
  H      -4.656958     -4.486465      0.070777
  H      -3.633601     -7.254522      0.392318
  H      -5.048559     -6.636881      1.398929
  C      -2.653346     -2.876660      1.287433
  C      -2.344145     -2.404597      0.008578
  C      -1.733349     -1.159807     -0.142212
  C      -1.457284     -0.353892      0.965990
  C      -1.751928     -0.794313      2.256263
  C      -2.293952     -2.062250      2.453944
  N      -2.696400     -2.575597      3.706602
  C      -2.196514     -2.007697      4.849464
  C      -0.851894     -1.639720      5.130821
  O      -0.418306     -0.962468      6.042428
  Cl      0.348643     -2.547680      4.071879
  C      -5.961828     -5.827973      4.860334
  C      -6.774236     -6.672954      5.645005
  C      -8.058541     -6.276255      5.991601
  C      -8.574234     -5.046618      5.556680
  C      -7.787717     -4.181094      4.805728
  C      -6.469359     -4.533642      4.473904
  N      -5.598512     -3.733469      3.710446
  C      -5.910355     -2.412423      3.616751
  C      -5.585689     -1.622667      2.485907
  O      -5.256486     -1.963640      1.362336
  Cl     -5.836862      0.153445      2.827882
  C      -1.408733     -5.174518      5.526988
  C      -0.151645     -5.523444      6.060926
  C       0.143190     -5.227817      7.382608
  C      -0.791096     -4.554812      8.189440
  C      -2.038318     -4.221028      7.691735
  C      -2.392541     -4.564431      6.371312
  N      -3.605292     -4.246732      5.768430
  C      -4.680194     -3.889067      6.508975
  C      -5.040018     -4.483496      7.755026
  O      -4.620941     -5.469175      8.326442
  Cl     -6.482920     -3.595469      8.473573
  H      -2.601659     -2.980567     -0.876747
  H      -1.499651     -0.795053     -1.141135
  H      -1.028974      0.636138      0.821076
  H      -1.587210     -0.146816      3.114335
  H      -2.881778     -1.859806      5.684604
  H      -6.396690     -7.629836      5.998022
  H      -8.675516     -6.933654      6.602064
  H      -9.595474     -4.767148      5.808494
  H      -8.204878     -3.242383      4.447335
  H      -6.527443     -1.944579      4.386124
  H       0.606114     -5.982478      5.430865
  H       1.119925     -5.484853      7.789292
  H      -0.522935     -4.273195      9.206105
  H      -2.738334     -3.654235      8.299403
  H      -5.365038     -3.157300      6.098929
  N      -5.113786     -5.374141      2.216931
  H      -5.452336     -6.276351      2.553969
  H      -4.668296     -5.507830      1.193136
  H      -5.958368     -4.795997      2.100306
  N      -1.618716     -3.982672      2.772406
  N      -0.583737     -3.693239      2.371558
77
Coordinates from ORCA-job orca E -7408.740139160332
  N      -3.270576     -4.075129      1.583133
  C      -3.709980     -4.914184      0.460234
  C      -3.912931     -6.489998      1.090374
  N      -3.103976     -6.561101      2.369093
  C      -3.423590     -7.792190      3.171128
  C      -4.042525     -7.387907      4.554878
  N      -4.708108     -6.101513      4.411499
  Mo     -3.599688     -4.568682      3.608724
  N      -1.794434     -5.368826      4.227777
  C      -0.911016     -6.180500      3.375739
  C      -1.651013     -6.529260      2.065782
  H      -0.627423     -7.090970      3.927832
  H       0.003924     -5.619535      3.136061
  H      -1.327966     -7.520552      1.715439
  H      -1.438958     -5.807915      1.274289
  H      -4.752791     -8.155136      4.887649
  H      -3.241344     -7.307107      5.306259
  H      -4.134359     -8.409333      2.603959
  H      -2.511020     -8.374930      3.334293
  H      -2.958427     -4.951259     -0.341691
  H      -4.640780     -4.496599      0.027331
  H      -3.591439     -7.282746      0.377502
  H      -5.023397     -6.676653      1.359354
  C      -2.653588     -2.863753      1.263528
  C      -2.344826     -2.385888     -0.011614
  C      -1.739386     -1.135069     -0.158844
  C      -1.468610     -0.331142      0.950605
  C      -1.762935     -0.777048      2.241446
  C      -2.297569     -2.046405      2.435929
  N      -2.696554     -2.562611      3.694745
  C      -2.200698     -1.995497      4.839661
  C      -0.858246     -1.624067      5.140352
  O      -0.447697     -0.943539      6.058683
  Cl      0.374694     -2.531130      4.103560
  C      -5.964420     -5.824472      4.867113
  C      -6.775814     -6.669483      5.654068
  C      -8.057626     -6.271645      6.009987
  C      -8.573061     -5.038688      5.582730
  C      -7.787929     -4.172480      4.830274
  C      -6.471895     -4.525082      4.488404
  N      -5.609579     -3.716537      3.721932
  C      -5.921501     -2.396877      3.635964
  C      -5.605216     -1.608972      2.499128
  O      -5.287917     -1.953081      1.374447
  Cl     -5.848983      0.171221      2.843017
  C      -1.409897     -5.190228      5.535878
  C      -0.157059     -5.545550      6.075436
  C       0.136084     -5.247020      7.398151
  C      -0.796645     -4.565397      8.199197
  C      -2.040508     -4.225280      7.694506
  C      -2.392059     -4.570443      6.374362
  N      -3.603675     -4.246307      5.769553
  C      -4.676436     -3.883938      6.511062
  C      -5.040249     -4.480146      7.755893
  O      -4.625305     -5.468518      8.324881
  Cl     -6.479646     -3.581535      8.478628
  H      -2.598370     -2.961757     -0.899497
  H      -1.506776     -0.767253     -1.157925
  H      -1.044491      0.662135      0.809138
  H      -1.601208     -0.130610      3.101943
  H      -2.893855     -1.850862      5.669051
  H      -6.396773     -7.628724      6.001912
  H      -8.672226     -6.930748      6.622625
  H      -9.592686     -4.756642      5.841885
  H      -8.204784     -3.230283      4.478177
  H      -6.531788     -1.929221      4.411782
  H       0.599839     -6.011846      5.448101
  H       1.110935     -5.509290      7.808456
  H      -0.531168     -4.281508      9.216873
  H      -2.739698     -3.651979      8.298515
  H      -5.357177     -3.147422      6.101676
  N      -5.134582     -5.370271      2.198972
  H      -5.475038     -6.267984      2.544137
  H      -4.675378     -5.507609      1.172427
  H      -5.978798     -4.793842      2.078035
  N      -1.596166     -3.987486      2.756296
  N      -0.563158     -3.706643      2.365650
77
Coordinates from ORCA-job orca E -7408.784732798257
  N      -3.267057     -4.071684      1.552876
  C      -3.693029     -4.915019      0.432816
  C      -3.887112     -6.514724      1.069551
  N      -3.094467     -6.574403      2.359103
  C      -3.421063     -7.798114      3.172180
  C      -4.043738     -7.388521      4.554502
  N      -4.713012     -6.105466      4.415166
  Mo     -3.600929     -4.569739      3.601139
  N      -1.787829     -5.387050      4.234273
  C      -0.907324     -6.205763      3.387817
  C      -1.638736     -6.546785      2.070430
  H      -0.633904     -7.118970      3.941023
  H       0.014906     -5.653749      3.152692
  H      -1.317646     -7.541557      1.725986
  H      -1.419056     -5.829017      1.277901
  H      -4.752025     -8.157679      4.889199
  H      -3.240057     -7.307266      5.303139
  H      -4.127990     -8.419527      2.604428
  H      -2.508168     -8.378345      3.343888
  H      -2.934256     -4.954013     -0.362943
  H      -4.624213     -4.508563     -0.011220
  H      -3.548310     -7.307744      0.366799
  H      -4.993092     -6.713783      1.321472
  C      -2.654997     -2.852900      1.242944
  C      -2.347155     -2.368787     -0.029280
  C      -1.748118     -1.112542     -0.173395
  C      -1.482356     -0.310036      0.937221
  C      -1.775723     -0.761389      2.227892
  C      -2.302939     -2.033089      2.418902
  N      -2.697399     -2.550887      3.682231
  C      -2.206349     -1.984828      4.828079
  C      -0.867232     -1.609584      5.147586
  O      -0.479288     -0.925748      6.071919
  Cl      0.397801     -2.513354      4.134295
  C      -5.965398     -5.820398      4.872344
  C      -6.775931     -6.665904      5.661062
  C      -8.054988     -6.267525      6.025938
  C      -8.570124     -5.031274      5.606638
  C      -7.786429     -4.164391      4.853507
  C      -6.472462     -4.516823      4.501900
  N      -5.618815     -3.700681      3.733705
  C      -5.929789     -2.382715      3.655627
  C      -5.620464     -1.596635      2.513217
  O      -5.314136     -1.943788      1.387911
  Cl     -5.855440      0.187385      2.859413
  C      -1.412457     -5.205909      5.543193
  C      -0.163764     -5.568008      6.088893
  C       0.127693     -5.266332      7.411831
  C      -0.802983     -4.575349      8.207218
  C      -2.042843     -4.228706      7.695915
  C      -2.392129     -4.576050      6.375980
  N      -3.601293     -4.245837      5.769518
  C      -4.671425     -3.878398      6.511896
  C      -5.039282     -4.476121      7.755576
  O      -4.629438     -5.467026      8.322689
  Cl     -6.474446     -3.566217      8.481748
  H      -2.596703     -2.944514     -0.919315
  H      -1.517269     -0.742018     -1.172557
  H      -1.062936      0.686305      0.799124
  H      -1.616951     -0.116291      3.090670
  H      -2.906709     -1.843815      5.652326
  H      -6.395426     -7.627229      6.003350
  H      -8.667114     -6.928468      6.640102
  H      -9.587899     -4.746963      5.872792
  H      -8.202755     -3.218923      4.507981
  H      -6.533195     -1.914805      4.437285
  H       0.591885     -6.041837      5.464759
  H       1.100305     -5.533923      7.825568
  H      -0.539895     -4.288992      9.225400
  H      -2.740581     -3.648582      8.296026
  H      -5.347894     -3.137184      6.103406
  N      -5.155195     -5.365635      2.180750
  H      -5.497930     -6.259419      2.532887
  H      -4.683705     -5.506030      1.157553
  H      -5.998588     -4.790536      2.056025
  N      -1.572282     -3.992669      2.739355
  N      -0.540870     -3.719623      2.357707
77
Coordinates from ORCA-job orca E -7408.823901927221
  N      -3.263380     -4.068615      1.525168
  C      -3.676152     -4.916786      0.409872
  C      -3.861148     -6.536825      1.051607
  N      -3.085793     -6.585796      2.349939
  C      -3.419968     -7.802057      3.173140
  C      -4.045217     -7.388076      4.553353
  N      -4.716408     -6.107758      4.417333
  Mo     -3.601937     -4.571094      3.593215
  N      -1.782135     -5.404994      4.240473
  C      -0.904794     -6.230266      3.400036
  C      -1.627499     -6.562891      2.076050
  H      -0.641733     -7.146463      3.953742
  H       0.024852     -5.687607      3.169996
  H      -1.308956     -7.560909      1.736620
  H      -1.399931     -5.848267      1.283132
  H      -4.751821     -8.158942      4.889410
  H      -3.239538     -7.307273      5.299834
  H      -4.123550     -8.426875      2.604766
  H      -2.507366     -8.380643      3.352829
  H      -2.910413     -4.958339     -0.379721
  H      -4.607627     -4.522478     -0.045089
  H      -3.504888     -7.329288      0.359208
  H      -4.959276     -6.747758      1.285578
  C      -2.657630     -2.843947      1.225348
  C      -2.351433     -2.353365     -0.044779
  C      -1.759845     -1.092272     -0.186266
  C      -1.498768     -0.290644      0.925557
  C      -1.790366     -0.747378      2.215439
  C      -2.310004     -2.022262      2.402883
  N      -2.698904     -2.540683      3.669270
  C      -2.213043     -1.975496      4.815554
  C      -0.878257     -1.595704      5.153313
  O      -0.512451     -0.908385      6.083116
  Cl      0.418627     -2.493584      4.164488
  C      -5.965040     -5.815979      4.876189
  C      -6.774814     -6.662414      5.666120
  C      -8.051033     -6.263960      6.039475
  C      -8.565806     -5.024435      5.628279
  C      -7.783505     -4.156803      4.875198
  C      -6.471367     -4.508965      4.514343
  N      -5.625947     -3.686131      3.745519
  C      -5.934958     -2.369789      3.675348
  C      -5.631312     -1.585337      2.528048
  O      -5.335103     -1.935225      1.402368
  Cl     -5.856229      0.202104      2.876994
  C      -1.416088     -5.221471      5.549283
  C      -0.171514     -5.590766      6.101618
  C       0.118275     -5.285754      7.424137
  C      -0.809883     -4.584691      8.213966
  C      -2.045175     -4.231297      7.696342
  C      -2.392545     -4.581182      6.376529
  N      -3.598144     -4.245235      5.768457
  C      -4.665313     -3.872367      6.511450
  C      -5.037350     -4.471286      7.754061
  O      -4.633406     -5.464545      8.319784
  Cl     -6.467633     -3.549689      8.482903
  H      -2.597096     -2.929064     -0.936542
  H      -1.531467     -0.719241     -1.185496
  H      -1.084591      0.708680      0.790627
  H      -1.634483     -0.103865      3.080398
  H      -2.919892     -1.838505      5.635289
  H      -6.392911     -7.625622      6.002628
  H      -8.660728     -6.926852      6.654580
  H      -9.581625     -4.738165      5.901046
  H      -8.199070     -3.208221      4.536363
  H      -6.531461     -1.901257      4.462332
  H       0.582568     -6.072428      5.481071
  H       1.088350     -5.558782      7.841243
  H      -0.548838     -4.295698      9.232257
  H      -2.740963     -3.644004      8.292308
  H      -5.337367     -3.126522      6.103962
  N      -5.175596     -5.360365      2.162347
  H      -5.520983     -6.250645      2.520284
  H      -4.693507     -5.503181      1.148256
  H      -6.017811     -4.786110      2.034356
  N      -1.546905     -3.998184      2.721806
  N      -0.514896     -3.731507      2.347586
77
Coordinates from ORCA-job orca E -7408.858688306473
  N      -3.259338     -4.065934      1.500230
  C      -3.659438     -4.919759      0.390953
  C      -3.835377     -6.556062      1.036137
  N      -3.077817     -6.595295      2.341631
  C      -3.420150     -7.804318      3.173881
  C      -4.046923     -7.386909      4.551519
  N      -4.718363     -6.108529      4.418051
  Mo     -3.602624     -4.572698      3.585093
  N      -1.777096     -5.422395      4.246348
  C      -0.902978     -6.253808      3.412160
  C      -1.617091     -6.577594      2.082412
  H      -0.650337     -7.173213      3.965800
  H       0.034115     -5.720789      3.187693
  H      -1.301683     -7.578578      1.746924
  H      -1.381484     -5.865608      1.289738
  H      -4.752260     -8.159213      4.888294
  H      -3.239834     -7.307494      5.296561
  H      -4.120975     -8.431588      2.604763
  H      -2.508457     -8.382267      3.360826
  H      -2.887071     -4.964450     -0.392555
  H      -4.591069     -4.538400     -0.074646
  H      -3.461653     -7.347189      0.353966
  H      -4.923693     -6.778273      1.251983
  C      -2.660994     -2.836831      1.210465
  C      -2.357122     -2.339766     -0.058349
  C      -1.773816     -1.074391     -0.197627
  C      -1.517114     -0.273201      0.915569
  C      -1.806242     -0.735236      2.204135
  C      -2.318256     -2.014001      2.387981
  N      -2.700878     -2.532271      3.656091
  C      -2.220489     -1.967477      4.802653
  C      -0.890905     -1.582389      5.157598
  O      -0.546120     -0.891371      6.092145
  Cl      0.436229     -2.472499      4.193293
  C      -5.963679     -5.811489      4.878760
  C      -6.772778     -6.659325      5.669260
  C      -8.046278     -6.261226      6.050468
  C      -8.560640     -5.018470      5.647403
  C      -7.779582     -4.149890      4.895076
  C      -6.469012     -4.501703      4.525689
  N      -5.631020     -3.673045      3.757167
  C      -5.937522     -2.358040      3.694863
  C      -5.638778     -1.574415      2.543670
  O      -5.351871     -1.926111      1.417486
  Cl     -5.853243      0.215759      2.896431
  C      -1.420230     -5.236646      5.554448
  C      -0.179760     -5.613499      6.113762
  C       0.108488     -5.304961      7.435353
  C      -0.816705     -4.593163      8.219736
  C      -2.047038     -4.232860      7.696099
  C      -2.392914     -4.585654      6.376363
  N      -3.594226     -4.244323      5.766637
  C      -4.658290     -3.865623      6.509969
  C      -5.034713     -4.465332      7.751664
  O      -4.637347     -5.460857      8.316475
  Cl     -6.459602     -3.531827      8.482332
  H      -2.599081     -2.915621     -0.951426
  H      -1.548464     -0.698946     -1.196900
  H      -1.108603      0.729036      0.783592
  H      -1.653176     -0.093562      3.071229
  H      -2.933040     -1.834851      5.618533
  H      -6.389565     -7.624260      5.999871
  H      -8.653701     -6.926202      6.665902
  H      -9.574522     -4.730601      5.926278
  H      -8.194162     -3.198330      4.562914
  H      -6.527321     -1.888935      4.486807
  H       0.572456     -6.103255      5.497070
  H       1.075808     -5.583474      7.855777
  H      -0.557265     -4.301341      9.237780
  H      -2.740439     -3.638061      8.287696
  H      -5.325823     -3.115240      6.103497
  N      -5.195866     -5.354452      2.143950
  H      -5.544258     -6.241659      2.506529
  H      -4.705064     -5.499032      1.144364
  H      -6.036650     -4.780443      2.013251
  N      -1.519580     -4.003910      2.703760
  N      -0.487554     -3.742841      2.336225
77
Coordinates from ORCA-job orca E -7408.889876974423
  N      -3.254955     -4.063709      1.478200
  C      -3.643067     -4.924238      0.375433
  C      -3.810233     -6.572250      1.022532
  N      -3.070480     -6.603032      2.334181
  C      -3.421474     -7.805268      3.174250
  C      -4.048847     -7.385373      4.549124
  N      -4.719036     -6.108023      4.417496
  Mo     -3.602997     -4.574524      3.576942
  N      -1.772602     -5.439105      4.251930
  C      -0.901597     -6.276451      3.424103
  C      -1.607417     -6.591137      2.089314
  H      -0.659463     -7.199214      3.977243
  H       0.042950     -5.753369      3.205653
  H      -1.295820     -7.594800      1.756583
  H      -1.363629     -5.881287      1.297474
  H      -4.753441     -8.158782      4.885965
  H      -3.240964     -7.308277      5.293502
  H      -4.120215     -8.433979      2.604201
  H      -2.511273     -8.383691      3.367534
  H      -2.864443     -4.972435     -0.402113
  H      -4.574683     -4.556339     -0.100456
  H      -3.419220     -7.361251      0.350086
  H      -4.888413     -6.805191      1.220769
  C      -2.664927     -2.831328      1.197871
  C      -2.364128     -2.327916     -0.070328
  C      -1.789810     -1.058724     -0.207735
  C      -1.537177     -0.257648      0.907055
  C      -1.823097     -0.724884      2.193914
  C      -2.327397     -2.008084      2.374245
  N      -2.703206     -2.525800      3.642963
  C      -2.228444     -1.960725      4.789876
  C      -0.904792     -1.569287      5.160910
  O      -0.580165     -0.874432      6.099620
  Cl      0.451198     -2.449512      4.220852
  C      -5.961614     -5.807173      4.880270
  C      -6.770109     -6.656840      5.670649
  C      -8.041134     -6.259402      6.058973
  C      -8.555020     -5.013482      5.663960
  C      -7.774986     -4.143685      4.913030
  C      -6.465751     -4.495131      4.535982
  N      -5.634065     -3.661526      3.768514
  C      -5.937628     -2.347460      3.713895
  C      -5.643019     -1.563884      2.559865
  O      -5.364481     -1.916483      1.433000
  Cl     -5.846899      0.228331      2.917293
  C      -1.424538     -5.251284      5.559038
  C      -0.188234     -5.636024      6.125520
  C       0.098656     -5.323778      7.445834
  C      -0.823140     -4.600688      8.224830
  C      -2.048263     -4.233353      7.695438
  C      -2.393024     -4.589391      6.375805
  N      -3.589627     -4.243011      5.764314
  C      -4.650531     -3.858085      6.507756
  C      -5.031423     -4.458131      7.748712
  O      -4.641032     -5.455848      8.312972
  Cl     -6.450489     -3.512760      8.480572
  H      -2.602631     -2.904169     -0.964330
  H      -1.567994     -0.680806     -1.207019
  H      -1.134743      0.747480      0.777756
  H      -1.672755     -0.085256      3.063121
  H      -2.946022     -1.832951      5.602453
  H      -6.385738     -7.623399      5.995371
  H      -8.646554     -6.926575      6.674152
  H      -9.567081     -4.724381      5.948382
  H      -8.188377     -3.189261      4.587412
  H      -6.521063     -1.877911      4.510437
  H       0.561845     -6.134117      5.512859
  H       1.063060     -5.607791      7.869577
  H      -0.564840     -4.305845      9.242339
  H      -2.738944     -3.630737      8.282447
  H      -5.313511     -3.103284      6.102280
  N      -5.216164     -5.347919      2.125849
  H      -5.567888     -6.232411      2.491962
  H      -4.718489     -5.493682      1.145214
  H      -6.055302     -4.773553      1.992996
  N      -1.489970     -4.009731      2.685406
  N      -0.457136     -3.753027      2.323445
77
Coordinates from ORCA-job orca E -7408.918010132526
  N      -3.250101     -4.061977      1.459179
  C      -3.626910     -4.930355      0.362833
  C      -3.785920     -6.585163      1.010337
  N      -3.063725     -6.609016      2.327651
  C      -3.423803     -7.805133      3.174134
  C      -4.051016     -7.383736      4.546276
  N      -4.718672     -6.106529      4.415909
  Mo     -3.603108     -4.576514      3.568987
  N      -1.768540     -5.454871      4.257176
  C      -0.900444     -6.297982      3.435695
  C      -1.598426     -6.603506      2.096590
  H      -0.668837     -7.224185      3.987991
  H       0.051473     -5.785051      3.223606
  H      -1.291295     -7.609522      1.765320
  H      -1.346411     -5.895259      1.306162
  H      -4.755444     -8.157913      4.882473
  H      -3.242966     -7.309868      5.290776
  H      -4.121155     -8.434229      2.602892
  H      -2.515633     -8.385177      3.372680
  H      -2.842300     -4.982220     -0.408788
  H      -4.558240     -4.576136     -0.123043
  H      -3.377887     -7.371183      0.346859
  H      -4.854894     -6.828439      1.191830
  C      -2.669021     -2.827376      1.187317
  C      -2.371927     -2.317906     -0.080872
  C      -1.807096     -1.045295     -0.216653
  C      -1.558282     -0.244102      0.899969
  C      -1.840385     -0.716388      2.184838
  C      -2.336981     -2.004414      2.361791
  N      -2.705746     -2.521432      3.630141
  C      -2.236803     -1.955279      4.777494
  C      -0.919720     -1.556266      5.163350
  O      -0.614354     -0.857450      6.105600
  Cl      0.463173     -2.424801      4.246741
  C      -5.959108     -5.803256      4.880942
  C      -6.767094     -6.655128      5.670494
  C      -8.035958     -6.258540      6.065139
  C      -8.549283     -5.009545      5.678031
  C      -7.770007     -4.138239      4.929089
  C      -6.461898     -4.489350      4.545344
  N      -5.635276     -3.651627      3.779538
  C      -5.935712     -2.338104      3.732334
  C      -5.644606     -1.553848      2.576475
  O      -5.373461     -1.906553      1.448717
  Cl     -5.838179      0.239751      2.939159
  C      -1.428704     -5.265140      5.563188
  C      -0.196637     -5.658026      6.136810
  C       0.089181     -5.341923      7.455606
  C      -0.828794     -4.607138      8.229297
  C      -2.048632     -4.232735      7.694468
  C      -2.392715     -4.592311      6.375034
  N      -3.584509     -4.241232      5.761731
  C      -4.642274     -3.849727      6.505148
  C      -5.027601     -4.449618      7.745553
  O      -4.644367     -5.449498      8.309559
  Cl     -6.440553     -3.492638      8.478110
  H      -2.607224     -2.894824     -0.975436
  H      -1.589179     -0.664780     -1.215886
  H      -1.162239      0.763886      0.773050
  H      -1.692668     -0.078966      3.056140
  H      -2.958839     -1.832929      5.587208
  H      -6.381799     -7.623251      5.989429
  H      -8.639717     -6.927998      6.679505
  H      -9.559696     -4.719563      5.967407
  H      -8.182016     -3.181049      4.609823
  H      -6.513276     -1.868355      4.533116
  H       0.551037     -6.164616      5.528235
  H       1.050585     -5.631380      7.882623
  H      -0.571110     -4.309099      9.246011
  H      -2.736310     -3.622077      8.276738
  H      -5.300745     -3.090666      6.100612
  N      -5.236680     -5.340677      2.108398
  H      -5.592044     -6.222824      2.476958
  H      -4.733632     -5.487143      1.150025
  H      -6.073992     -4.765382      1.973914
  N      -1.457757     -4.015432      2.666843
  N      -0.425028     -3.762252      2.309803
77
Coordinates from ORCA-job orca E -7408.943441732759
  N      -3.244744     -4.060878      1.443279
  C      -3.610642     -4.938220      0.352708
  C      -3.762446     -6.594641      0.999009
  N      -3.057529     -6.613250      2.321991
  C      -3.427022     -7.804079      3.173385
  C      -4.053448     -7.382207      4.543049
  N      -4.717547     -6.104356      4.413566
  Mo     -3.603094     -4.578606      3.561380
  N      -1.765054     -5.469417      4.261949
  C      -0.899595     -6.318203      3.446800
  C      -1.590150     -6.614691      2.104059
  H      -0.678570     -7.247842      3.998061
  H       0.059573     -5.815620      3.241370
  H      -1.288103     -7.622707      1.772923
  H      -1.329890     -5.907525      1.315598
  H      -4.758293     -8.156840      4.877883
  H      -3.245810     -7.312436      5.288400
  H      -4.123682     -8.432491      2.600631
  H      -2.521354     -8.386881      3.375967
  H      -2.820070     -4.993607     -0.412797
  H      -4.541252     -4.597636     -0.143056
  H      -3.337655     -7.376718      0.343529
  H      -4.823974     -6.848126      1.164666
  C      -2.673077     -2.825070      1.178659
  C      -2.380161     -2.310044     -0.090051
  C      -1.825158     -1.034350     -0.224452
  C      -1.580021     -0.232825      0.894171
  C      -1.857860     -0.709899      2.176875
  C      -2.346817     -2.002973      2.350703
  N      -2.708489     -2.519360      3.617807
  C      -2.245580     -1.951209      4.765655
  C      -0.935697     -1.543008      5.165171
  O      -0.649193     -0.840141      6.110486
  Cl      0.472562     -2.397712      4.271137
  C      -5.956375     -5.799903      4.881058
  C      -6.763966     -6.654265      5.669107
  C      -8.030976     -6.258556      6.069312
  C      -8.543602     -5.006566      5.689977
  C      -7.764792     -4.133478      4.943544
  C      -6.457676     -4.484374      4.554039
  N      -5.634833     -3.643315      3.790380
  C      -5.931995     -2.329957      3.750309
  C      -5.643855     -1.544453      2.593518
  O      -5.379246     -1.896632      1.464690
  Cl     -5.827478      0.249974      2.961743
  C      -1.432693     -5.278006      5.566877
  C      -0.204945     -5.679260      6.147401
  C       0.080166     -5.359231      7.464543
  C      -0.833561     -4.612523      8.233054
  C      -2.048171     -4.231057      7.693173
  C      -2.392033     -4.594369      6.374093
  N      -3.579123     -4.238936      5.759032
  C      -4.633760     -3.840568      6.502378
  C      -5.023323     -4.439824      7.742394
  O      -4.647186     -5.441815      8.306328
  Cl     -6.429949     -3.471679      8.475411
  H      -2.612434     -2.887982     -0.984818
  H      -1.611347     -0.651123     -1.223576
  H      -1.190610      0.777988      0.769271
  H      -1.712684     -0.074736      3.050222
  H      -2.971697     -1.835026      5.572781
  H      -6.378080     -7.623953      5.982405
  H      -8.633466     -6.930341      6.682364
  H      -9.552548     -4.715984      5.983770
  H      -8.175223     -3.173580      4.630451
  H      -6.504189     -1.860276      4.555030
  H       0.540063     -6.194426      5.542853
  H       1.038551     -5.654052      7.894735
  H      -0.575937     -4.311175      9.248758
  H      -2.732615     -3.612237      8.270647
  H      -5.287824     -3.077435      6.098714
  N      -5.257693     -5.332660      2.091940
  H      -5.616959     -6.212799      2.461881
  H      -4.749997     -5.479565      1.157569
  H      -6.093000     -4.755986      1.956238
  N      -1.423091     -4.020829      2.648280
  N      -0.389920     -3.769941      2.295136
77
Coordinates from ORCA-job orca E -7408.966477441770
  N      -3.238804     -4.060591      1.430524
  C      -3.593844     -4.947861      0.344825
  C      -3.739719     -6.600577      0.988301
  N      -3.051887     -6.615692      2.317224
  C      -3.431054     -7.802213      3.171887
  C      -4.056157     -7.380989      4.539494
  N      -4.715910     -6.101857      4.410737
  Mo     -3.603042     -4.580748      3.554284
  N      -1.762233     -5.482477      4.266151
  C      -0.899110     -6.336825      3.457298
  C      -1.582618     -6.624569      2.111595
  H      -0.688692     -7.269824      4.007441
  H       0.067116     -5.844683      3.258772
  H      -1.286148     -7.634185      1.779252
  H      -1.314175     -5.917938      1.325641
  H      -4.761973     -8.155824      4.872186
  H      -3.249450     -7.316166      5.286335
  H      -4.127709     -8.428829      2.597250
  H      -2.528313     -8.388881      3.377147
  H      -2.797063     -5.006356     -0.414097
  H      -4.523114     -4.620627     -0.160957
  H      -3.298434     -7.377682      0.339755
  H      -4.795730     -6.864314      1.138882
  C      -2.676791     -2.824528      1.171731
  C      -2.388266     -2.304610     -0.097982
  C      -1.843247     -1.026126     -0.231241
  C      -1.601767     -0.224037      0.889475
  C      -1.875126     -0.705509      2.169946
  C      -2.356639     -2.003707      2.341013
  N      -2.711416     -2.519691      3.606121
  C      -2.254850     -1.948483      4.754416
  C      -0.952757     -1.529333      5.166226
  O      -0.684661     -0.822254      6.114059
  Cl      0.478903     -2.368417      4.293467
  C      -5.953575     -5.797269      4.880835
  C      -6.760971     -6.654316      5.666727
  C      -8.026426     -6.259400      6.071747
  C      -8.538158     -5.004488      5.700052
  C      -7.759467     -4.129390      4.956617
  C      -6.453240     -4.480244      4.562272
  N      -5.632947     -3.636530      3.801174
  C      -5.926832     -2.322995      3.767972
  C      -5.641257     -1.535537      2.611150
  O      -5.382345     -1.886385      1.481003
  Cl     -5.815635      0.259157      2.985381
  C      -1.436427     -5.289679      5.570047
  C      -0.213033     -5.699468      6.157063
  C       0.071796     -5.375510      7.472476
  C      -0.837274     -4.616816      8.236006
  C      -2.046837     -4.228362      7.691559
  C      -2.390995     -4.595539      6.373014
  N      -3.573669     -4.236127      5.756374
  C      -4.625194     -3.830716      6.499711
  C      -5.018671     -4.428899      7.739496
  O      -4.649427     -5.432964      8.303485
  Cl     -6.418901     -3.450179      8.472852
  H      -2.617595     -2.883967     -0.992607
  H      -1.633564     -0.640143     -1.230188
  H      -1.219123      0.789528      0.766192
  H      -1.732427     -0.072533      3.045219
  H      -2.984741     -1.839238      5.559154
  H      -6.374921     -7.625614      5.974572
  H      -8.628084     -6.933520      6.683001
  H      -9.545815     -4.713522      5.997734
  H      -8.168112     -3.166818      4.649525
  H      -6.494239     -1.853804      4.576379
  H       0.529056     -6.223194      5.556403
  H       1.027208     -5.675572      7.905662
  H      -0.579122     -4.312094      9.250501
  H      -2.727831     -3.601375      8.264287
  H      -5.275017     -3.063740      6.096850
  N      -5.279421     -5.323805      2.076858
  H      -5.642751     -6.202342      2.447113
  H      -4.766915     -5.471113      1.166661
  H      -6.112569     -4.745407      1.940229
  N      -1.386102     -4.025749      2.629823
  N      -0.353660     -3.776394      2.279985
77
Coordinates from ORCA-job orca E -7408.987438080531
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  C      -3.576359     -4.959259      0.338908
  C      -3.717754     -6.603092      0.978016
  N      -3.046857     -6.616501      2.313334
  C      -3.435855     -7.799789      3.169540
  C      -4.059135     -7.380316      4.535672
  N      -4.713983     -6.099404      4.407695
  Mo     -3.603070     -4.582925      3.547811
  N      -1.760235     -5.494001      4.269827
  C      -0.899122     -6.353959      3.467290
  C      -1.575888     -6.633335      2.119132
  H      -0.699453     -7.290161      4.016403
  H       0.073964     -5.872335      3.275932
  H      -1.285425     -7.644154      1.784357
  H      -1.299287     -5.926763      1.336164
  H      -4.766453     -8.155124      4.865478
  H      -3.253759     -7.321241      5.284493
  H      -4.133191     -8.423485      2.592631
  H      -2.536397     -8.391372      3.376016
  H      -2.772878     -5.020088     -0.412756
  H      -4.503574     -4.644816     -0.177200
  H      -3.260338     -7.374263      0.335271
  H      -4.769971     -6.877196      1.114138
  C      -2.680233     -2.825556      1.166095
  C      -2.396247     -2.301498     -0.105017
  C      -1.861295     -1.020417     -0.237373
  C      -1.623479     -0.217506      0.885416
  C      -1.892147     -0.702853      2.163740
  C      -2.366353     -2.006125      2.332579
  N      -2.714486     -2.522247      3.595231
  C      -2.264505     -1.946849      4.743896
  C      -0.970723     -1.514825      5.166532
  O      -0.720816     -0.803428      6.116459
  Cl      0.482871     -2.336322      4.313648
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  C      -6.758267     -6.655201      5.663677
  C      -8.022417     -6.260846      6.072836
  C      -8.532977     -5.003082      5.708638
  C      -7.754033     -4.125834      4.968574
  C      -6.448659     -4.476905      4.570222
  N      -5.629711     -3.631150      3.811973
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  C      -5.636773     -1.527136      2.629276
  O      -5.382775     -1.875889      1.497615
  Cl     -5.802643      0.267337      3.009895
  C      -1.440012     -5.300146      5.572804
  C      -0.221036     -5.718620      6.165830
  C       0.063891     -5.390842      7.479517
  C      -0.840174     -4.620249      8.238279
  C      -2.044902     -4.224892      7.689738
  C      -2.389781     -4.595932      6.371894
  N      -3.568378     -4.232912      5.753899
  C      -4.616766     -3.820457      6.497370
  C      -5.013679     -4.417286      7.737045
  O      -4.650914     -5.423356      8.301065
  Cl     -6.407554     -3.428798      8.470865
  H      -2.622655     -2.882679     -0.999190
  H      -1.655738     -0.631651     -1.236100
  H      -1.247744      0.798746      0.763257
  H      -1.751847     -0.071829      3.040725
  H      -2.997883     -1.845366      5.546410
  H      -6.372564     -7.628201      5.966294
  H      -8.623702     -6.937239      6.681892
  H      -9.539500     -4.711839      6.009743
  H      -8.160679     -3.160600      4.667316
  H      -6.483431     -1.848790      4.597175
  H       0.517931     -6.250826      5.568899
  H       1.016390     -5.696054      7.915520
  H      -0.580971     -4.312180      9.251434
  H      -2.722300     -3.589834      8.257834
  H      -5.262591     -3.049892      6.095307
  N      -5.301990     -5.314251      2.063471
  H      -5.669405     -6.191535      2.433059
  H      -4.783565     -5.462207      1.175872
  H      -6.132857     -4.733949      1.925997
  N      -1.346886     -4.030061      2.611626
  N      -0.314397     -3.780959      2.263988
77
Coordinates from ORCA-job orca E -7409.006633345827
  N      -3.225836     -4.063145      1.413900
  C      -3.558076     -4.972145      0.334907
  C      -3.696579     -6.602444      0.968298
  N      -3.042491     -6.615824      2.310366
  C      -3.441373     -7.797011      3.166304
  C      -4.062391     -7.380381      4.531603
  N      -4.711995     -6.097348      4.404668
  Mo     -3.603236     -4.585109      3.542086
  N      -1.759042     -5.503892      4.273019
  C      -0.899641     -6.369457      3.476770
  C      -1.569991     -6.640965      2.126611
  H      -0.710778     -7.308649      4.025002
  H       0.080008     -5.898239      3.292776
  H      -1.285732     -7.652562      1.788327
  H      -1.285406     -5.933979      1.347044
  H      -4.771679     -8.154987      4.857780
  H      -3.258627     -7.327793      5.282732
  H      -4.140056     -8.416653      2.586723
  H      -2.545510     -8.394461      3.372514
  H      -2.747266     -5.034325     -0.408697
  H      -4.482447     -4.669619     -0.191940
  H      -3.223492     -7.366881      0.330303
  H      -4.746157     -6.886953      1.090407
  C      -2.683126     -2.827982      1.161442
  C      -2.403658     -2.300643     -0.111367
  C      -1.878637     -1.017128     -0.243068
  C      -1.644470     -0.213130      0.881658
  C      -1.908383     -0.701712      2.158058
  C      -2.375539     -2.009833      2.325272
  N      -2.717482     -2.526771      3.585222
  C      -2.274330     -1.946032      4.734081
  C      -0.989238     -1.499436      5.165743
  O      -0.756855     -0.783556      6.117199
  Cl      0.484254     -2.302110      4.330745
  C      -5.948248     -5.794437      4.880210
  C      -6.756047     -6.656884      5.660168
  C      -8.019126     -6.262815      6.072827
  C      -8.528192     -5.002273      5.715943
  C      -7.748570     -4.122807      4.979571
  C      -6.444021     -4.474357      4.577995
  N      -5.625365     -3.627019      3.822800
  C      -5.912658     -2.312301      3.802418
  C      -5.631119     -1.518996      2.647904
  O      -5.381281     -1.864649      1.514457
  Cl     -5.789758      0.274737      3.035634
  C      -1.443384     -5.309314      5.575185
  C      -0.228809     -5.736500      6.173667
  C       0.056579     -5.405066      7.485669
  C      -0.842215     -4.622848      8.239952
  C      -2.042408     -4.220777      7.687850
  C      -2.388445     -4.595626      6.370846
  N      -3.563425     -4.229416      5.751790
  C      -4.608720     -3.810112      6.495587
  C      -5.008568     -4.405489      7.735240
  O      -4.651786     -5.413530      8.299196
  Cl     -6.396382     -3.408237      8.469627
  H      -2.627159     -2.884007     -1.004814
  H      -1.677109     -0.625652     -1.241552
  H      -1.275654      0.805696      0.760094
  H      -1.770366     -0.072275      3.036455
  H      -3.010813     -1.852956      5.534589
  H      -6.371223     -7.631693      5.957782
  H      -8.620500     -6.941397      6.679312
  H      -9.533722     -4.710787      6.019996
  H      -8.153015     -3.154932      4.683966
  H      -6.472359     -1.845316      4.617476
  H       0.506897     -6.276982      5.580274
  H       1.006275     -5.715279      7.924241
  H      -0.581477     -4.311507      9.251652
  H      -2.716094     -3.577877      8.251529
  H      -5.250874     -3.036269      6.094340
  N      -5.325374     -5.304126      2.051933
  H      -5.696758     -6.180577      2.419997
  H      -4.799375     -5.453116      1.184394
  H      -6.153896     -4.721805      1.913499
  N      -1.305418     -4.033570      2.593629
  N      -0.274690     -3.784179      2.247700
77
Coordinates from ORCA-job orca E -7409.024331957507
  N      -3.219165     -4.066085      1.409725
  C      -3.539147     -4.986123      0.332666
  C      -3.676303     -6.599091      0.959043
  N      -3.038848     -6.614013      2.308196
  C      -3.447523     -7.794198      3.162130
  C      -4.065874     -7.381309      4.527291
  N      -4.710119     -6.095933      4.401828
  Mo     -3.603641     -4.587275      3.537114
  N      -1.758828     -5.512176      4.275790
  C      -0.900868     -6.383473      3.485855
  C      -1.564988     -6.647693      2.133984
  H      -0.722956     -7.325371      4.033491
  H       0.085038     -5.922495      3.309446
  H      -1.286976     -7.659671      1.791382
  H      -1.272633     -5.939905      1.358133
  H      -4.777526     -8.155559      4.849245
  H      -3.263848     -7.335816      5.280860
  H      -4.148188     -8.408726      2.579541
  H      -2.555491     -8.398318      3.366628
  H      -2.720313     -5.048381     -0.402025
  H      -4.459847     -4.694290     -0.205384
  H      -3.188077     -7.356180      0.324825
  H      -4.724023     -6.894002      1.067436
  C      -2.685658     -2.831530      1.157560
  C      -2.410702     -2.301919     -0.117148
  C      -1.895352     -1.016070     -0.248564
  C      -1.664752     -0.210684      0.877783
  C      -1.923826     -0.701737      2.152635
  C      -2.384139     -2.014339      2.318947
  N      -2.720263     -2.532894      3.576152
  C      -2.284061     -1.945718      4.725012
  C      -1.008008     -1.482844      5.163960
  O      -0.792723     -0.762435      6.116531
  Cl      0.484154     -2.265200      4.344990
  C      -5.945908     -5.794225      4.880111
  C      -6.754371     -6.659180      5.656473
  C      -8.016554     -6.265049      6.072094
  C      -8.523745     -5.001788      5.722318
  C      -7.743023     -4.120124      4.989844
  C      -6.439326     -4.472455      4.585708
  N      -5.619990     -3.623905      3.833672
  C      -5.904149     -2.308352      3.819221
  C      -5.624361     -1.511268      2.666813
  O      -5.378033     -1.853067      1.531436
  Cl     -5.776996      0.281361      3.062051
  C      -1.446725     -5.317221      5.577276
  C      -0.236514     -5.753059      6.180631
  C       0.049608     -5.418246      7.491052
  C      -0.843764     -4.624861      8.241188
  C      -2.039729     -4.216306      7.686026
  C      -2.387212     -4.594777      6.369956
  N      -3.558990     -4.225780      5.750143
  C      -4.601205     -3.800035      6.494495
  C      -5.003375     -4.394101      7.734158
  O      -4.651851     -5.404026      8.297789
  Cl     -6.385500     -3.389290      8.469488
  H      -2.631357     -2.887832     -1.009607
  H      -1.697791     -0.622064     -1.246849
  H      -1.302827      0.810594      0.756192
  H      -1.787922     -0.073370      3.032053
  H      -3.023254     -1.861640      5.523731
  H      -6.370959     -7.635932      5.949311
  H      -8.618463     -6.945690      6.675726
  H      -9.528392     -4.709987      6.028916
  H      -8.145083     -3.149616      4.699720
  H      -6.460983     -1.843096      4.637255
  H       0.495873     -6.301528      5.590567
  H       0.996631     -5.733324      7.931954
  H      -0.581116     -4.310422      9.251399
  H      -2.709698     -3.565907      8.245567
  H      -5.240092     -3.023220      6.094172
  N      -5.349467     -5.293716      2.042085
  H      -5.724621     -6.169650      2.407955
  H      -4.813999     -5.444179      1.191557
  H      -6.175573     -4.709340      1.902302
  N      -1.262062     -4.036173      2.576031
  N      -0.231568     -3.785180      2.230486
77
Coordinates from ORCA-job orca E -7409.040723400043
  N      -3.212434     -4.070011      1.408124
  C      -3.519702     -5.000554      0.332270
  C      -3.657007     -6.593513      0.950531
  N      -3.035921     -6.611306      2.306840
  C      -3.454228     -7.791545      3.157064
  C      -4.069570     -7.383169      4.522694
  N      -4.708490     -6.095338      4.399258
  Mo     -3.604231     -4.589384      3.532939
  N      -1.759464     -5.518766      4.278208
  C      -0.902727     -6.395743      3.494487
  C      -1.560847     -6.653397      2.141245
  H      -0.735693     -7.340041      4.041788
  H       0.089010     -5.944583      3.325751
  H      -1.288761     -7.665332      1.793710
  H      -1.261218     -5.944353      1.369370
  H      -4.783913     -8.156943      4.839870
  H      -3.269327     -7.345265      5.278704
  H      -4.157482     -8.399926      2.571185
  H      -2.566271     -8.403028      3.358530
  H      -2.692197     -5.061557     -0.392704
  H      -4.435881     -4.717892     -0.217407
  H      -3.154194     -7.342866      0.319360
  H      -4.703131     -6.898652      1.045345
  C      -2.687447     -2.836089      1.154477
  C      -2.416819     -2.305314     -0.122280
  C      -1.910583     -1.017279     -0.253864
  C      -1.683371     -0.210196      0.873679
  C      -1.937735     -0.702884      2.147440
  C      -2.391665     -2.019461      2.313561
  N      -2.722536     -2.540322      3.568039
  C      -2.293487     -1.945704      4.716576
  C      -1.026696     -1.465280      5.160834
  O      -0.827411     -0.740146      6.113872
  Cl      0.482074     -2.226843      4.355378
  C      -5.943858     -5.794747      4.880206
  C      -6.753354     -6.662030      5.652639
  C      -8.014818     -6.267547      6.070681
  C      -8.519760     -5.001626      5.727745
  C      -7.737484     -4.117835      4.999384
  C      -6.434605     -4.471177      4.593340
  N      -5.613867     -3.621599      3.844551
  C      -5.895478     -2.305192      3.835747
  C      -5.617717     -1.503689      2.685941
  O      -5.374294     -1.840765      1.548426
  Cl     -5.766338      0.287461      3.089295
  C      -1.449858     -5.323788      5.579076
  C      -0.243846     -5.768080      6.186668
  C       0.043299     -5.430173      7.495598
  C      -0.844569     -4.626201      8.242030
  C      -2.036700     -4.211508      7.684390
  C      -2.385977     -4.593438      6.369327
  N      -3.555069     -4.222115      5.749134
  C      -4.594298     -3.790480      6.494314
  C      -4.998257     -4.383535      7.734010
  O      -4.651341     -5.395353      8.297028
  Cl     -6.375286     -3.372436      8.470486
  H      -2.634748     -2.894067     -1.013504
  H      -1.716817     -0.621099     -1.252037
  H      -1.328092      0.813330      0.751465
  H      -1.803715     -0.074996      3.027417
  H      -3.034889     -1.870937      5.513805
  H      -6.371830     -7.640835      5.940887
  H      -8.617689     -6.950128      6.671159
  H      -9.523636     -4.709406      6.036418
  H      -8.137012     -3.144736      4.714543
  H      -6.450226     -1.842240      4.656535
  H       0.485211     -6.324140      5.599701
  H       0.987839     -5.749904      7.938495
  H      -0.579641     -4.308832      9.250700
  H      -2.702942     -3.554041      8.240154
  H      -5.230364     -3.011002      6.095068
  N      -5.374006     -5.283159      2.033564
  H      -5.752635     -6.159001      2.396667
  H      -4.827689     -5.435330      1.197716
  H      -6.197620     -4.696588      1.891880
  N      -1.216881     -4.037699      2.558676
  N      -0.189701     -3.785132      2.213327
77
Coordinates from ORCA-job orca E -7409.055922226341
  N      -3.206100     -4.074787      1.409062
  C      -3.500078     -5.014825      0.333425
  C      -3.638799     -6.586390      0.942473
  N      -3.033738     -6.608243      2.306059
  C      -3.461462     -7.789415      3.151093
  C      -4.073428     -7.385963      4.517791
  N      -4.707129     -6.095600      4.396998
  Mo     -3.605041     -4.591444      3.529464
  N      -1.761170     -5.523830      4.280388
  C      -0.905498     -6.406706      3.502891
  C      -1.557616     -6.658559      2.148424
  H      -0.749482     -7.353031      4.050277
  H       0.091740     -5.965073      3.341972
  H      -1.291069     -7.670118      1.795674
  H      -1.251145     -5.947934      1.380701
  H      -4.790756     -8.159078      4.829896
  H      -3.274879     -7.355995      5.276086
  H      -4.167907     -8.390716      2.561776
  H      -2.577795     -8.408841      3.348331
  H      -2.663296     -5.072925     -0.381054
  H      -4.410885     -4.739545     -0.228267
  H      -3.121993     -7.327777      0.313731
  H      -4.683564     -6.901560      1.023731
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  C      -8.515977     -5.001308      5.732513
  C      -7.731758     -4.115588      5.008346
  C      -6.429726     -4.470245      4.600908
  N      -5.606913     -3.619872      3.855386
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  H      -3.045676     -1.880675      5.504944
  H      -6.373711     -7.646063      5.932770
  H      -8.617943     -6.954184      6.666091
  H      -9.519151     -4.708444      6.042892
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  H      -6.439516     -1.842132      4.674994
  H       0.474677     -6.345063      5.607836
  H       0.979469     -5.765488      7.944133
  H      -0.577625     -4.307301      9.249858
  H      -2.696307     -3.542679      8.235440
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  H      -4.840586     -5.426845      1.202626
  H      -6.219725     -4.684032      1.881553
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  N      -0.143021     -3.782269      2.194984
77
Coordinates from ORCA-job orca E -7409.069981654784
  N      -3.199841     -4.080149      1.412345
  C      -3.480365     -5.028128      0.336206
  C      -3.621741     -6.578323      0.935384
  N      -3.032285     -6.605031      2.305961
  C      -3.469284     -7.787864      3.144397
  C      -4.077541     -7.389646      4.512559
  N      -4.706100     -6.096737      4.395024
  Mo     -3.605908     -4.593434      3.526755
  N      -1.763568     -5.527255      4.282405
  C      -0.908871     -6.415895      3.510887
  C      -1.555202     -6.662886      2.155550
  H      -0.763608     -7.363897      4.058644
  H       0.093389     -5.983227      3.357640
  H      -1.293351     -7.673698      1.797444
  H      -1.242680     -5.950199      1.392123
  H      -4.798118     -8.161926      4.819286
  H      -3.280585     -7.367879      5.272941
  H      -4.179543     -8.381129      2.551572
  H      -2.590235     -8.415802      3.336435
  H      -2.633832     -5.081874     -0.367101
  H      -4.384941     -4.758311     -0.237760
  H      -3.091555     -7.311745      0.308785
  H      -4.664909     -6.903047      1.002986
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  C      -2.427579     -2.317590     -0.130007
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  C      -1.716407     -0.214073      0.864393
  C      -1.961606     -0.707402      2.137568
  C      -2.403901     -2.030275      2.305604
  N      -2.725301     -2.557692      3.555011
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  C      -1.063834     -1.426174      5.151390
  O      -0.894188     -0.691252      6.103764
  Cl      0.474708     -2.143031      4.365894
  C      -5.940409     -5.797273      4.881088
  C      -6.753065     -6.668349      5.645140
  C      -8.013356     -6.272180      6.066642
  C      -8.512635     -5.001027      5.736340
  C      -7.726080     -4.113598      5.016514
  C      -6.424766     -4.469709      4.608246
  N      -5.599560     -3.618586      3.866068
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  Cl     -5.750053      0.297551      3.141166
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  C      -2.030106     -4.201829      7.682145
  C      -2.383693     -4.589887      6.369192
  N      -3.548650     -4.215211      5.749376
  C      -4.582101     -3.773986      6.497119
  C      -4.987843     -4.366540      7.736722
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  Cl     -6.356426     -3.346929      8.476815
  H      -2.640643     -2.912785     -1.018048
  H      -1.751213     -0.626560     -1.262274
  H      -1.373578      0.813322      0.739076
  H      -1.830538     -0.078382      3.017047
  H      -3.055472     -1.890508      5.497126
  H      -6.376570     -7.651539      5.924804
  H      -8.619308     -6.958072      6.660268
  H      -9.515198     -4.707348      6.047913
  H      -8.120205     -3.135492      4.741574
  H      -6.430217     -1.843031      4.692506
  H       0.464884     -6.364013      5.614797
  H       0.972347     -5.779650      7.948463
  H      -0.574214     -4.305416      9.248671
  H      -2.689060     -3.531658      8.231560
  H      -5.213947     -2.989903      6.100818
  N      -5.423617     -5.262991      2.018686
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  H      -4.853482     -5.418392      1.207199
  H      -6.241628     -4.671482      1.871001
  N      -1.122414     -4.037138      2.525383
  N      -0.100823     -3.778978      2.177325
77
Coordinates from ORCA-job orca E -7409.082932089037
  N      -3.194326     -4.085971      1.417951
  C      -3.460782     -5.040000      0.339950
  C      -3.605846     -6.570137      0.928569
  N      -3.031634     -6.602373      2.306101
  C      -3.477798     -7.787248      3.136956
  C      -4.081857     -7.394085      4.507036
  N      -4.705294     -6.098554      4.393326
  Mo     -3.606920     -4.595408      3.524600
  N      -1.767074     -5.529396      4.284349
  C      -0.913393     -6.424229      3.518846
  C      -1.553732     -6.667289      2.162668
  H      -0.779146     -7.373466      4.067541
  H       0.093663     -6.000408      3.373290
  H      -1.295921     -7.677169      1.799464
  H      -1.235548     -5.952362      1.403581
  H      -4.805940     -8.165207      4.808513
  H      -3.286252     -7.380637      5.269147
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  H      -2.604070     -5.087668     -0.351442
  H      -4.358253     -4.773584     -0.246544
  H      -3.062974     -7.295682      0.303806
  H      -4.647570     -6.904004      0.982307
  C      -2.690928     -2.853295      1.151399
  C      -2.432727     -2.325925     -0.132160
  C      -1.950042     -1.032100     -0.268139
  C      -1.731343     -0.217885      0.859438
  C      -1.972100     -0.710305      2.133069
  C      -2.408988     -2.035540      2.303164
  N      -2.725831     -2.567014      3.550301
  C      -2.319712     -1.945408      4.695811
  C      -1.082713     -1.404151      5.145468
  O      -0.927074     -0.664213      6.096777
  Cl      0.469828     -2.096241      4.366511
  C      -5.938818     -5.798837      4.881891
  C      -6.753535     -6.671278      5.641767
  C      -8.013227     -6.273766      6.064450
  C      -8.509167     -5.000027      5.739820
  C      -7.720060     -4.111255      5.024218
  C      -6.419492     -4.469111      4.615421
  N      -5.591484     -3.617540      3.876544
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  C      -5.597355     -1.485628      2.739483
  O      -5.359299     -1.809335      1.596628
  Cl     -5.743045      0.301279      3.163041
  C      -1.458567     -5.336802      5.583422
  C      -0.263984     -5.805131      6.199883
  C       0.027430     -5.460341      7.505034
  C      -0.843866     -4.628634      8.243402
  C      -2.026612     -4.197320      7.681678
  C      -2.382640     -4.587938      6.369781
  N      -3.546018     -4.212199      5.750722
  C      -4.576713     -3.767493      6.500167
  C      -4.982376     -4.360793      7.739525
  O      -4.644181     -5.377910      8.298105
  Cl     -6.347638     -3.339097      8.482330
  H      -2.643640     -2.924625     -1.018304
  H      -1.767147     -0.632593     -1.267091
  H      -1.394310      0.811153      0.731747
  H      -1.842157     -0.079633      3.011466
  H      -3.064599     -1.900489      5.490633
  H      -6.380027     -7.656728      5.917473
  H      -8.621183     -6.960939      6.654590
  H      -9.511132     -4.705229      6.052333
  H      -8.111393     -3.130774      4.753848
  H      -6.420515     -1.843743      4.708506
  H       0.455257     -6.381553      5.620800
  H       0.965578     -5.793272      7.951942
  H      -0.570431     -4.304137      9.247522
  H      -2.682057     -3.521553      8.228572
  H      -5.207227     -2.981450      6.105818
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  H      -5.835340     -6.131033      2.363830
  H      -4.866204     -5.410566      1.210445
  H      -6.263121     -4.659712      1.859731
  N      -1.073779     -4.034892      2.509793
  N      -0.050647     -3.771681      2.157864
77
Coordinates from ORCA-job orca E -7409.094816188510
  N      -3.188785     -4.092059      1.425418
  C      -3.441297     -5.049944      0.344750
  C      -3.591234     -6.562424      0.922902
  N      -3.031796     -6.600258      2.306725
  C      -3.487156     -7.787381      3.129067
  C      -4.086561     -7.399137      4.501224
  N      -4.704808     -6.100960      4.391817
  Mo     -3.607851     -4.597319      3.523106
  N      -1.771027     -5.529995      4.286240
  C      -0.918431     -6.430742      3.526343
  C      -1.553060     -6.671037      2.169730
  H      -0.794680     -7.380843      4.076265
  H       0.092919     -6.015127      3.388012
  H      -1.297981     -7.679692      1.801697
  H      -1.230134     -5.953412      1.414979
  H      -4.814357     -8.168830      4.797461
  H      -3.292103     -7.394074      5.264738
  H      -4.207088     -8.362004      2.529719
  H      -2.618414     -8.433860      3.308375
  H      -2.574193     -5.090593     -0.334168
  H      -4.330829     -4.784958     -0.254344
  H      -3.036394     -7.280471      0.300051
  H      -4.631037     -6.904605      0.962547
  C      -2.690800     -2.859868      1.152984
  C      -2.436030     -2.335549     -0.133022
  C      -1.959545     -1.040239     -0.271692
  C      -1.743161     -0.223052      0.854823
  C      -1.980138     -0.713871      2.129220
  C      -2.412505     -2.040965      2.301810
  N      -2.725537     -2.576612      3.546707
  C      -2.328180     -1.945017      4.690472
  C      -1.101759     -1.381428      5.138552
  O      -0.958519     -0.636033      6.087957
  Cl      0.462212     -2.048979      4.362648
  C      -5.937356     -5.800507      4.882742
  C      -6.754468     -6.674119      5.638488
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  C      -8.506130     -4.998970      5.742440
  C      -7.714243     -4.109118      5.031111
  C      -6.414191     -4.468693      4.622213
  N      -5.583442     -3.616660      3.886686
  C      -5.860009     -2.297655      3.895307
  C      -5.592201     -1.481124      2.754809
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  Cl     -5.740454      0.304644      3.182985
  C      -1.460658     -5.338996      5.584424
  C      -0.269171     -5.814697      6.202476
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  C      -0.841595     -4.628709      8.243368
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  C      -2.381098     -4.585734      6.370855
  N      -3.543485     -4.209535      5.753092
  C      -4.571701     -3.762258      6.504571
  C      -4.976741     -4.356938      7.743653
  O      -4.639824     -5.375793      8.299957
  Cl     -6.339821     -3.334732      8.489102
  H      -2.644954     -2.937650     -1.017216
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  H      -1.851146     -0.080973      3.006039
  H      -3.073090     -1.910476      5.485318
  H      -6.384050     -7.661761      5.910393
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  H      -6.412744     -1.845051      4.723126
  H       0.446824     -6.397050      5.625489
  H       0.960672     -5.805269      7.953825
  H      -0.564655     -4.302301      9.245883
  H      -2.673966     -3.511721      8.226485
  H      -5.201501     -2.974607      6.112462
  N      -5.473414     -5.245886      2.004271
  H      -5.862304     -6.123783      2.352211
  H      -4.879874     -5.402808      1.213544
  H      -6.284253     -4.648078      1.847741
  N      -1.023943     -4.031192      2.494062
  N      -0.008819     -3.764939      2.139818
77
Coordinates from ORCA-job orca E -7409.105702804034
  N      -3.183989     -4.098423      1.434672
  C      -3.421997     -5.058028      0.349767
  C      -3.577854     -6.555951      0.917334
  N      -3.032824     -6.599429      2.307196
  C      -3.497438     -7.788596      3.120611
  C      -4.091507     -7.404596      4.495185
  N      -4.704442     -6.103633      4.390474
  Mo     -3.608813     -4.599238      3.521970
  N      -1.775969     -5.529515      4.288105
  C      -0.924716     -6.436705      3.533834
  C      -1.553333     -6.675319      2.176740
  H      -0.811720     -7.387178      4.085655
  H       0.090739     -6.029221      3.402579
  H      -1.300073     -7.682713      1.804589
  H      -1.225947     -5.955043      1.426218
  H      -4.823201     -8.172415      4.786774
  H      -3.297797     -7.407825      5.259582
  H      -4.223370     -8.352645      2.518555
  H      -2.634496     -8.445097      3.292658
  H      -2.544354     -5.090621     -0.316056
  H      -4.302752     -4.792460     -0.262008
  H      -3.011880     -7.266909      0.296288
  H      -4.615950     -6.905745      0.942588
  C      -2.691043     -2.866400      1.155980
  C      -2.439561     -2.345867     -0.132482
  C      -1.968867     -1.049149     -0.274476
  C      -1.754769     -0.228668      0.850413
  C      -1.988123     -0.717292      2.125885
  C      -2.415896     -2.045886      2.301539
  N      -2.724863     -2.585975      3.544501
  C      -2.336921     -1.944111      4.686346
  C      -1.121771     -1.356602      5.131514
  O      -0.991015     -0.605822      6.078736
  Cl      0.453882     -1.996987      4.356635
  C      -5.935739     -5.801850      4.883909
  C      -6.755338     -6.676215      5.635884
  C      -8.013814     -6.275617      6.059957
  C      -8.502675     -4.996876      5.745138
  C      -7.708011     -4.106348      5.037745
  C      -6.408520     -4.467875      4.628795
  N      -5.574801     -3.615783      3.896467
  C      -5.850777     -2.296309      3.907483
  C      -5.585479     -1.478234      2.767908
  O      -5.348786     -1.796595      1.623070
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  C      -1.462753     -5.340477      5.585345
  C      -0.274088     -5.823205      6.204343
  C       0.021253     -5.475756      7.507303
  C      -0.839185     -4.629114      8.243326
  C      -2.017706     -4.188444      7.682056
  C      -2.379738     -4.583635      6.372375
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  C      -4.567222     -3.758639      6.509924
  C      -4.970796     -4.355620      7.748467
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  H      -1.427793      0.802905      0.717202
  H      -1.860116     -0.081527      3.000667
  H      -3.081391     -1.920517      5.481519
  H      -6.388111     -7.666014      5.904266
  H      -8.626310     -6.964708      6.643146
  H      -9.503587     -4.699378      6.058478
  H      -8.093907     -3.121591      4.775541
  H      -6.404049     -1.845492      4.735813
  H       0.438748     -6.411070      5.629172
  H       0.956223     -5.816715      7.954860
  H      -0.558612     -4.301246      9.244356
  H      -2.666274     -3.503041      8.225348
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  N      -5.498521     -5.239217      1.996479
  H      -5.889267     -6.117890      2.339843
  H      -4.893785     -5.396074      1.214809
  H      -6.304933     -4.637580      1.834536
  N      -0.973976     -4.026151      2.479491
  N       0.041548     -3.753887      2.119919
77
Coordinates from ORCA-job orca E -7409.115665370299
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  C      -3.403022     -5.064357      0.355045
  C      -3.565989     -6.551145      0.912626
  N      -3.034726     -6.599753      2.307719
  C      -3.508710     -7.790590      3.111911
  C      -4.096808     -7.410231      4.488990
  N      -4.704303     -6.106408      4.389227
  Mo     -3.609583     -4.601054      3.521277
  N      -1.781189     -5.527731      4.289950
  C      -0.931479     -6.441157      3.540871
  C      -1.554403     -6.679308      2.183567
  H      -0.828595     -7.391597      4.094943
  H       0.087597     -6.041107      3.416032
  H      -1.301454     -7.685288      1.807943
  H      -1.223441     -5.956156      1.437067
  H      -4.832477     -8.175828      4.776459
  H      -3.303461     -7.421544      5.253760
  H      -4.241488     -8.343191      2.507661
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  H      -2.515012     -5.088994     -0.297383
  H      -4.274282     -4.796460     -0.269208
  H      -2.989778     -7.255716      0.293561
  H      -4.602129     -6.907432      0.923356
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  C      -2.440948     -2.356770     -0.130795
  C      -1.975102     -1.058921     -0.276343
  C      -1.763253     -0.234991      0.846657
  C      -1.993800     -0.720976      2.123329
  C      -2.417724     -2.050683      2.302214
  N      -2.723361     -2.595082      3.543392
  C      -2.345859     -1.943083      4.683205
  C      -1.142204     -1.331359      5.124254
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  Cl      0.442983     -1.944656      4.347203
  C      -5.934098     -5.802918      4.885185
  C      -6.756290     -6.677841      5.633708
  C      -8.014077     -6.275557      6.058161
  C      -8.499371     -4.994444      5.747384
  C      -7.701921     -4.103516      5.043738
  C      -6.402800     -4.466922      4.634951
  N      -5.566320     -3.614877      3.905714
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  C      -5.580855     -1.475616      2.779234
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  Cl     -5.736066      0.309189      3.210548
  C      -1.464173     -5.340831      5.585997
  C      -0.277748     -5.829979      6.205258
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  C      -2.012541     -4.184144      7.682908
  C      -2.378006     -4.581355      6.374367
  N      -3.539272     -4.205629      5.760330
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  C      -4.964493     -4.356710      7.754569
  O      -4.626057     -5.378298      8.304915
  Cl     -6.325961     -3.339136      8.507564
  H      -2.645917     -2.965413     -1.011148
  H      -1.800791     -0.661784     -1.277752
  H      -1.440547      0.797535      0.710545
  H      -1.866850     -0.081950      2.995737
  H      -3.089457     -1.930752      5.478992
  H      -6.392155     -7.669650      5.898799
  H      -8.628944     -6.965249      6.638129
  H      -9.499809     -4.695430      6.060778
  H      -8.085259     -3.116885      4.785055
  H      -6.396946     -1.846116      4.746890
  H       0.432013     -6.422824      5.631591
  H       0.953625     -5.826279      7.954434
  H      -0.550913     -4.299590      9.242447
  H      -2.657906     -3.494781      8.225096
  H      -5.193756     -2.966832      6.130119
  N      -5.524040     -5.233613      1.988016
  H      -5.916476     -6.113291      2.326550
  H      -4.909059     -5.389844      1.215245
  H      -6.325471     -4.627456      1.820156
  N      -0.923177     -4.019775      2.464758
  N       0.085895     -3.742999      2.100983
77
Coordinates from ORCA-job orca E -7409.125127898982
  N      -3.174490     -4.111780      1.456139
  C      -3.384407     -5.069373      0.360138
  C      -3.555516     -6.548204      0.907985
  N      -3.037419     -6.601519      2.307794
  C      -3.520869     -7.793383      3.102882
  C      -4.102206     -7.415782      4.482729
  N      -4.704140     -6.108953      4.388118
  Mo     -3.610151     -4.602746      3.520818
  N      -1.786815     -5.525008      4.291769
  C      -0.939001     -6.444961      3.547669
  C      -1.556292     -6.683612      2.190162
  H      -0.846011     -7.394940      4.104475
  H       0.083404     -6.051989      3.428723
  H      -1.302469     -7.688185      1.811895
  H      -1.222306     -5.957624      1.447490
  H      -4.841834     -8.178746      4.767058
  H      -3.308665     -7.434821      5.247196
  H      -4.261355     -8.333773      2.497130
  H      -2.671113     -8.471377      3.259257
  H      -2.486304     -5.086432     -0.278656
  H      -4.245501     -4.797558     -0.276324
  H      -2.969999     -7.247040      0.290884
  H      -4.589953     -6.909903      0.904046
  C      -2.688548     -2.879830      1.165099
  C      -2.441564     -2.367920     -0.128019
  C      -1.980158     -1.069029     -0.277421
  C      -1.770732     -0.241433      0.843354
  C      -1.998887     -0.724431      2.121341
  C      -2.418936     -2.055005      2.303703
  N      -2.721276     -2.603497      3.543496
  C      -2.355089     -1.941514      4.681180
  C      -1.163424     -1.304853      5.117099
  O      -1.054872     -0.543170      6.058757
  Cl      0.430610     -1.889938      4.335766
  C      -5.932093     -5.803350      4.886853
  C      -6.756791     -6.678471      5.632540
  C      -8.013698     -6.274291      6.057347
  C      -8.495445     -4.990891      5.749943
  C      -7.695407     -4.099949      5.049533
  C      -6.396641     -4.465348      4.640835
  N      -5.557476     -3.613807      3.914409
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  C      -5.575859     -1.473883      2.788391
  O      -5.339142     -1.790294      1.642772
  Cl     -5.736296      0.310941      3.218916
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  C      -0.280786     -5.835302      6.205512
  C       0.018907     -5.486673      7.506539
  C      -0.831654     -4.628508      8.242716
  C      -2.007723     -4.180439      7.684317
  C      -2.376568     -4.579284      6.376794
  N      -3.537769     -4.204542      5.765262
  C      -4.560033     -3.756570      6.524405
  C      -4.958079     -4.360909      7.761474
  O      -4.616682     -5.383480      8.308201
  Cl     -6.320635     -3.348999      8.519130
  H      -2.644460     -2.979456     -1.006677
  H      -1.807981     -0.673722     -1.279917
  H      -1.452068      0.791952      0.704265
  H      -1.873269     -0.081762      2.991101
  H      -3.097423     -1.941001      5.477770
  H      -6.395662     -7.672150      5.894718
  H      -8.630894     -6.964229      6.634552
  H      -9.495384     -4.690218      6.063369
  H      -8.076322     -3.111626      4.793957
  H      -6.389521     -1.845936      4.756058
  H       0.426176     -6.432485      5.633060
  H       0.951742     -5.834600      7.953232
  H      -0.543196     -4.298386      9.240735
  H      -2.650295     -3.487855      8.225851
  H      -5.192274     -2.966506      6.141245
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  H      -5.944235     -6.110033      2.312028
  H      -4.925109     -5.384710      1.213723
  H      -6.345911     -4.618321      1.804201
  N      -0.872151     -4.012200      2.450746
  N       0.134173     -3.729499      2.081186
77
Coordinates from ORCA-job orca E -7409.133747122410
  N      -3.169083     -4.118629      1.467207
  C      -3.364389     -5.074100      0.363519
  C      -3.544531     -6.547516      0.900779
  N      -3.040362     -6.605261      2.305057
  C      -3.533532     -7.796919      3.090847
  C      -4.107313     -7.420208      4.473652
  N      -4.703154     -6.110161      4.386392
  Mo     -3.610294     -4.604333      3.519253
  N      -1.794295     -5.522008      4.293687
  C      -0.948545     -6.448831      3.554567
  C      -1.558635     -6.688732      2.195653
  H      -0.865306     -7.398304      4.114019
  H       0.076942     -6.062175      3.442209
  H      -1.302254     -7.691810      1.815559
  H      -1.221170     -5.959854      1.457090
  H      -4.850843     -8.179845      4.756489
  H      -3.312575     -7.445843      5.236441
  H      -4.282124     -8.324930      2.484389
  H      -2.691181     -8.485983      3.239775
  H      -2.455732     -5.083849     -0.260015
  H      -4.213944     -4.797135     -0.285253
  H      -2.949351     -7.240953      0.286154
  H      -4.577332     -6.913752      0.880698
  C      -2.686217     -2.886135      1.170500
  C      -2.440615     -2.378663     -0.124562
  C      -1.984230     -1.078891     -0.277457
  C      -1.778407     -0.247399      0.841412
  C      -2.004884     -0.726886      2.120400
  C      -2.420616     -2.058580      2.305854
  N      -2.721270     -2.610913      3.543088
  C      -2.370295     -1.940769      4.679115
  C      -1.189855     -1.280131      5.111954
  O      -1.094767     -0.512181      6.048963
  Cl      0.411646     -1.837074      4.327222
  C      -5.926405     -5.801208      4.889997
  C      -6.753087     -6.675472      5.636028
  C      -8.006816     -6.267701      6.062262
  C      -8.484439     -4.980820      5.756250
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  C      -6.385135     -4.460491      4.646158
  N      -5.546816     -3.612636      3.921193
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  C      -5.576360     -1.475649      2.790555
  O      -5.336671     -1.795268      1.644543
  Cl     -5.742697      0.313103      3.212486
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  C      -0.285717     -5.840116      6.206223
  C       0.016010     -5.492338      7.507183
  C      -0.830692     -4.630965      8.243823
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  C      -2.378071     -4.579230      6.379784
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  C      -4.559250     -3.758268      6.537250
  C      -4.946988     -4.368778      7.773969
  O      -4.596217     -5.391243      8.316421
  Cl     -6.310302     -3.366833      8.544094
  H      -2.640583     -2.992834     -1.001778
  H      -1.813501     -0.685530     -1.280880
  H      -1.463902      0.786842      0.699546
  H      -1.881923     -0.079966      2.987176
  H      -3.113355     -1.952556      5.474613
  H      -6.395361     -7.670860      5.896396
  H      -8.626019     -6.956180      6.639019
  H      -9.483144     -4.677223      6.070854
  H      -8.061765     -3.101961      4.803876
  H      -6.376520     -1.840969      4.762047
  H       0.418912     -6.440561      5.634407
  H       0.947894     -5.843566      7.953322
  H      -0.539407     -4.301160      9.241134
  H      -2.647313     -3.485981      8.228456
  H      -5.195303     -2.968127      6.161034
  N      -5.576274     -5.228454      1.962315
  H      -5.972443     -6.109990      2.289409
  H      -4.941025     -5.381889      1.206327
  H      -6.366146     -4.612238      1.780260
  N      -0.821637     -4.002898      2.437921
  N       0.180531     -3.714407      2.064213
77
Coordinates from ORCA-job orca E -7409.141662408108
  N      -3.164085     -4.125637      1.479366
  C      -3.345980     -5.077854      0.368077
  C      -3.535708     -6.548012      0.894384
  N      -3.044124     -6.610162      2.302575
  C      -3.547166     -7.800977      3.079625
  C      -4.111854     -7.424656      4.465656
  N      -4.701274     -6.110896      4.385617
  Mo     -3.609225     -4.605828      3.518915
  N      -1.801458     -5.518499      4.295715
  C      -0.958217     -6.451960      3.561213
  C      -1.561778     -6.693271      2.201396
  H      -0.883743     -7.400586      4.123483
  H       0.069932     -6.071009      3.454307
  H      -1.301328     -7.694671      1.819947
  H      -1.221824     -5.960953      1.467026
  H      -4.859343     -8.180474      4.748161
  H      -3.315095     -7.456671      5.225973
  H      -4.305140     -8.315477      2.473406
  H      -2.713148     -8.502090      3.220697
  H      -2.427285     -5.081351     -0.240416
  H      -4.184014     -4.794305     -0.292244
  H      -2.931821     -7.236260      0.281977
  H      -4.566948     -6.917523      0.858199
  C      -2.683730     -2.891802      1.177000
  C      -2.439183     -2.388760     -0.119795
  C      -1.987620     -1.087728     -0.276642
  C      -1.785751     -0.252340      0.839809
  C      -2.011022     -0.728465      2.120137
  C      -2.421964     -2.061210      2.308936
  N      -2.720499     -2.617387      3.544586
  C      -2.385149     -1.940708      4.680413
  C      -1.215168     -1.256858      5.109751
  O      -1.133219     -0.484675      6.043524
  Cl      0.391289     -1.785691      4.319148
  C      -5.920460     -5.798514      4.893930
  C      -6.749093     -6.671589      5.640787
  C      -7.999888     -6.260253      6.068510
  C      -8.473322     -4.970231      5.763394
  C      -7.671417     -4.083190      5.065050
  C      -6.372944     -4.455088      4.651770
  N      -5.534348     -3.611904      3.928303
  C      -5.810267     -2.285172      3.936585
  C      -5.571612     -1.480315      2.790327
  O      -5.335279     -1.804115      1.643462
  Cl     -5.746031      0.313252      3.200246
  C      -1.470458     -5.339055      5.590013
  C      -0.288239     -5.843250      6.205434
  C       0.017516     -5.496043      7.505857
  C      -0.824453     -4.631475      8.243603
  C      -2.000764     -4.178100      7.689573
  C      -2.377630     -4.578548      6.384118
  N      -3.542579     -4.204139      5.777339
  C      -4.560669     -3.761890      6.548539
  C      -4.945704     -4.380453      7.781869
  O      -4.591130     -5.404363      8.319647
  Cl     -6.315511     -3.390421      8.556104
  H      -2.636173     -3.005505     -0.995681
  H      -1.818206     -0.696542     -1.281101
  H      -1.475307      0.782750      0.695077
  H      -1.891131     -0.076955      2.983744
  H      -3.128284     -1.965149      5.475217
  H      -6.394389     -7.668480      5.899511
  H      -8.621299     -6.946875      6.645056
  H      -9.470967     -4.663991      6.079008
  H      -8.047176     -3.092117      4.813795
  H      -6.356489     -1.834280      4.767978
  H       0.413361     -6.446709      5.633208
  H       0.949206     -5.850186      7.950054
  H      -0.529049     -4.301263      9.239591
  H      -2.638702     -3.482142      8.232087
  H      -5.199713     -2.971940      6.176361
  N      -5.604479     -5.229049      1.945976
  H      -6.002990     -6.111846      2.266084
  H      -4.959027     -5.380132      1.198181
  H      -6.387913     -4.607391      1.755998
  N      -0.771133     -3.992628      2.425572
  N       0.226875     -3.698450      2.047426
77
Coordinates from ORCA-job orca E -7409.148954892449
  N      -3.159447     -4.132471      1.491641
  C      -3.328830     -5.080661      0.373191
  C      -3.528356     -6.548990      0.888181
  N      -3.048697     -6.615593      2.299820
  C      -3.561813     -7.805069      3.068334
  C      -4.116799     -7.429187      4.457670
  N      -4.699490     -6.111355      4.384652
  Mo     -3.607557     -4.607093      3.518960
  N      -1.808505     -5.514298      4.297680
  C      -0.968056     -6.454348      3.567486
  C      -1.565794     -6.697114      2.207029
  H      -0.901532     -7.401887      4.132729
  H       0.062547     -6.078898      3.464902
  H      -1.300268     -7.696766      1.824609
  H      -1.224088     -5.961062      1.476898
  H      -4.868206     -8.180911      4.740503
  H      -3.317729     -7.467440      5.215162
  H      -4.329854     -8.304892      2.462706
  H      -2.736805     -8.518859      3.201064
  H      -2.400498     -5.079111     -0.220354
  H      -4.155232     -4.789655     -0.298134
  H      -2.916220     -7.232179      0.277826
  H      -4.558167     -6.920840      0.835751
  C      -2.681041     -2.896774      1.183959
  C      -2.437043     -2.398191     -0.114239
  C      -1.990151     -1.095618     -0.275236
  C      -1.792831     -0.256267      0.838433
  C      -2.017496     -0.729226      2.120296
  C      -2.423134     -2.062833      2.312372
  N      -2.719578     -2.622526      3.546988
  C      -2.400135     -1.940038      4.683342
  C      -1.240358     -1.233829      5.108988
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  Cl      0.369317     -1.735112      4.311854
  C      -5.915521     -5.795792      4.897291
  C      -6.746267     -6.667141      5.644810
  C      -7.995030     -6.252224      6.072740
  C      -8.464307     -4.959811      5.767033
  C      -7.660789     -4.075105      5.069496
  C      -6.362008     -4.450271      4.655448
  N      -5.521872     -3.612373      3.933050
  C      -5.795927     -2.282757      3.935895
  C      -5.568420     -1.488570      2.783120
  O      -5.334632     -1.817385      1.636503
  Cl     -5.747517      0.310694      3.179714
  C      -1.472026     -5.337194      5.592355
  C      -0.290200     -5.844540      6.204851
  C       0.018645     -5.498789      7.505416
  C      -0.820248     -4.633269      8.245009
  C      -1.997428     -4.178171      7.693695
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  N      -3.543864     -4.204660      5.785385
  C      -4.558977     -3.767193      6.562953
  C      -4.933889     -4.392195      7.796270
  O      -4.568272     -5.414040      8.330336
  Cl     -6.304553     -3.412895      8.582434
  H      -2.630849     -3.017456     -0.988891
  H      -1.821699     -0.706902     -1.280793
  H      -1.486410      0.779651      0.690911
  H      -1.901373     -0.072999      2.980742
  H      -3.142923     -1.976578      5.477463
  H      -6.394218     -7.665160      5.902832
  H      -8.619104     -6.936502      6.649147
  H      -9.461295     -4.651117      6.082538
  H      -8.033590     -3.082800      4.818656
  H      -6.335321     -1.828165      4.769425
  H       0.409113     -6.449962      5.632058
  H       0.950188     -5.855540      7.947789
  H      -0.522209     -4.303892      9.240526
  H      -2.634327     -3.482263      8.237894
  H      -5.202609     -2.977874      6.197179
  N      -5.635041     -5.231065      1.928066
  H      -6.036187     -6.115180      2.240398
  H      -4.979065     -5.379198      1.188276
  H      -6.411761     -4.603900      1.729713
  N      -0.720839     -3.981322      2.414059
  N       0.273294     -3.681579      2.031568
77
Coordinates from ORCA-job orca E -7409.155698923964
  N      -3.154615     -4.139066      1.504446
  C      -3.313075     -5.082551      0.379430
  C      -3.522407     -6.549805      0.882773
  N      -3.053716     -6.621221      2.297187
  C      -3.576964     -7.808913      3.057392
  C      -4.120902     -7.433606      4.450431
  N      -4.696397     -6.111537      4.384748
  Mo     -3.604097     -4.608306      3.520140
  N      -1.814181     -5.510289      4.299894
  C      -0.977271     -6.457000      3.573308
  C      -1.570379     -6.700731      2.212377
  H      -0.918032     -7.403332      4.141462
  H       0.055694     -6.087270      3.473688
  H      -1.299539     -7.698586      1.828994
  H      -1.227390     -5.960773      1.486491
  H      -4.876002     -8.180936      4.734822
  H      -3.318652     -7.478078      5.204125
  H      -4.355928     -8.292771      2.452978
  H      -2.761597     -8.535892      3.180663
  H      -2.375806     -5.077413     -0.199768
  H      -4.128009     -4.783420     -0.301938
  H      -2.902746     -7.228037      0.274063
  H      -4.550832     -6.922892      0.814415
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  C      -2.434171     -2.407119     -0.107329
  C      -1.991767     -1.102998     -0.272603
  C      -1.799011     -0.259653      0.838039
  C      -2.023075     -0.729550      2.121541
  C      -2.423033     -2.063880      2.316977
  N      -2.716999     -2.626625      3.550892
  C      -2.412977     -1.939184      4.687900
  C      -1.263037     -1.211984      5.109634
  O      -1.207000     -0.432449      6.038174
  Cl      0.348238     -1.686752      4.305692
  C      -5.909022     -5.792584      4.903001
  C      -6.740981     -6.661201      5.652660
  C      -7.987330     -6.241771      6.082198
  C      -8.452205     -4.947303      5.775783
  C      -7.647212     -4.065595      5.077221
  C      -6.349523     -4.445296      4.661293
  N      -5.507497     -3.613393      3.938062
  C      -5.779297     -2.281295      3.934409
  C      -5.565591     -1.498510      2.773528
  O      -5.338572     -1.832737      1.626912
  Cl     -5.752521      0.306460      3.156316
  C      -1.471974     -5.335264      5.594792
  C      -0.289593     -5.844757      6.203200
  C       0.023377     -5.500054      7.503446
  C      -0.812025     -4.633626      8.245404
  C      -1.990876     -4.177500      7.698039
  C      -2.375242     -4.578108      6.395204
  N      -3.544595     -4.206085      5.794169
  C      -4.561328     -3.774836      6.572753
  C      -4.936677     -4.407858      7.802518
  O      -4.567170     -5.429965      8.332862
  Cl     -6.320410     -3.444425      8.584701
  H      -2.625041     -3.028728     -0.980780
  H      -1.824309     -0.717030     -1.279346
  H      -1.496569      0.777036      0.687769
  H      -1.910997     -0.068605      2.978797
  H      -3.155061     -1.987126      5.481540
  H      -6.391501     -7.660270      5.910208
  H      -8.613649     -6.922976      6.659748
  H      -9.448002     -4.635566      6.092220
  H      -8.016410     -3.071916      4.826358
  H      -6.309710     -1.822076      4.770874
  H       0.407362     -6.451661      5.629215
  H       0.955461     -5.858738      7.943040
  H      -0.510435     -4.304425      9.239936
  H      -2.625592     -3.481363      8.244398
  H      -5.209004     -2.987693      6.208578
  N      -5.667383     -5.233975      1.909543
  H      -6.071460     -6.119417      2.213286
  H      -5.000972     -5.378582      1.177808
  H      -6.437115     -4.601344      1.702607
  N      -0.670108     -3.969694      2.403499
  N       0.320179     -3.664689      2.016660
77
Coordinates from ORCA-job orca E -7409.161954876795
  N      -3.150436     -4.145166      1.517235
  C      -3.299240     -5.083766      0.386376
  C      -3.518107     -6.550310      0.878179
  N      -3.059695     -6.626682      2.295017
  C      -3.593144     -7.812268      3.047077
  C      -4.125926     -7.437787      4.443728
  N      -4.694052     -6.111556      4.384753
  Mo     -3.600333     -4.609169      3.522079
  N      -1.819350     -5.506128      4.302633
  C      -0.986502     -6.459456      3.579219
  C      -1.575895     -6.703784      2.218002
  H      -0.933901     -7.404484      4.150265
  H       0.048717     -6.095530      3.481375
  H      -1.299479     -7.699798      1.833706
  H      -1.231855     -5.959835      1.496360
  H      -4.884594     -8.180708      4.729922
  H      -3.320538     -7.488271      5.193648
  H      -4.383307     -8.279139      2.444052
  H      -2.788007     -8.552705      3.160263
  H      -2.353619     -5.076387     -0.179053
  H      -4.102890     -4.776344     -0.304371
  H      -2.891324     -7.223700      0.270877
  H      -4.545300     -6.923876      0.794168
  C      -2.674561     -2.905202      1.200764
  C      -2.431167     -2.415236     -0.099651
  C      -1.993375     -1.109507     -0.269174
  C      -1.805852     -0.262006      0.838347
  C      -2.029640     -0.728912      2.123469
  C      -2.423305     -2.064077      2.322331
  N      -2.714673     -2.629365      3.555836
  C      -2.425905     -1.937660      4.693591
  C      -1.285730     -1.190730      5.111857
  O      -1.242235     -0.408497      6.038646
  Cl      0.326392     -1.639730      4.301689
  C      -5.904396     -5.790027      4.906608
  C      -6.738362     -6.655929      5.657039
  C      -7.983970     -6.232664      6.084555
  C      -8.445064     -4.937239      5.774869
  C      -7.637507     -4.058191      5.076404
  C      -6.339892     -4.441821      4.662908
  N      -5.494063     -3.615711      3.939766
  C      -5.764390     -2.281547      3.927131
  C      -5.563370     -1.511474      2.757277
  O      -5.340276     -1.852153      1.611772
  Cl     -5.758375      0.299551      3.125201
  C      -1.471275     -5.333138      5.597601
  C      -0.288037     -5.843963      6.202012
  C       0.028111     -5.501247      7.502503
  C      -0.805269     -4.636127      8.247784
  C      -1.985879     -4.179413      7.704117
  C      -2.372563     -4.578548      6.401900
  N      -3.543758     -4.207486      5.804623
  C      -4.557865     -3.782318      6.588058
  C      -4.921663     -4.419442      7.820239
  O      -4.537840     -5.436816      8.348805
  Cl     -6.305134     -3.465916      8.613442
  H      -2.618867     -3.039122     -0.971992
  H      -1.826671     -0.726513     -1.277159
  H      -1.507619      0.775524      0.685437
  H      -1.922357     -0.063206      2.977550
  H      -3.167327     -1.996456      5.486690
  H      -6.391217     -7.655512      5.915859
  H      -8.613277     -6.910868      6.662339
  H      -9.440784     -4.623167      6.089361
  H      -8.003185     -3.063738      4.823443
  H      -6.286484     -1.816129      4.765205
  H       0.407242     -6.451402      5.626669
  H       0.960774     -5.861640      7.939430
  H      -0.501444     -4.308600      9.242222
  H      -2.620377     -3.485074      8.253400
  H      -5.211197     -2.997149      6.229859
  N      -5.702905     -5.237997      1.889637
  H      -6.110110     -6.124868      2.184102
  H      -5.025684     -5.378531      1.166152
  H      -6.465631     -4.600193      1.673591
  N      -0.619891     -3.957313      2.394388
  N       0.366763     -3.647131      2.003510
77
Coordinates from ORCA-job orca E -7409.167784875226
  N      -3.146132     -4.150769      1.530189
  C      -3.287370     -5.084095      0.394159
  C      -3.515305     -6.549833      0.874614
  N      -3.065879     -6.631659      2.293258
  C      -3.609311     -7.815044      3.037342
  C      -4.129491     -7.441733      4.438032
  N      -4.690077     -6.111438      4.386096
  Mo     -3.594506     -4.610062      3.525306
  N      -1.822131     -5.502845      4.305857
  C      -0.994341     -6.462714      3.584553
  C      -1.581571     -6.706607      2.223174
  H      -0.947720     -7.406564      4.158047
  H       0.043068     -6.104811      3.487071
  H      -1.300016     -7.700674      1.837409
  H      -1.236753     -5.958486      1.505882
  H      -4.891194     -8.180252      4.727271
  H      -3.319967     -7.498166      5.183033
  H      -4.411284     -8.263841      2.436415
  H      -2.814915     -8.569108      3.139076
  H      -2.334378     -5.075894     -0.158797
  H      -4.080371     -4.768223     -0.304719
  H      -2.882316     -7.218448      0.268098
  H      -4.541311     -6.922887      0.775896
  C      -2.670840     -2.908733      1.210433
  C      -2.427570     -2.422700     -0.090977
  C      -1.994079     -1.115620     -0.264687
  C      -1.811496     -0.264015      0.839740
  C      -2.034751     -0.728018      2.126373
  C      -2.422051     -2.064062      2.328816
  N      -2.710256     -2.631234      3.562143
  C      -2.435349     -1.935940      4.700318
  C      -1.304341     -1.171042      5.115155
  O      -1.272444     -0.386733      6.040558
  Cl      0.307744     -1.595708      4.298950
  C      -5.897296     -5.786883      4.913141
  C      -6.732236     -6.648910      5.666657
  C      -7.976063     -6.220492      6.094390
  C      -8.433117     -4.924211      5.781713
  C      -7.623647     -4.048759      5.080819
  C      -6.327830     -4.437951      4.667499
  N      -5.478683     -3.618536      3.942093
  C      -5.748269     -2.282801      3.919858
  C      -5.562999     -1.525631      2.740502
  O      -5.347089     -1.872853      1.595684
  Cl     -5.768100      0.291036      3.094209
  C      -1.468369     -5.331313      5.600668
  C      -0.283374     -5.842344      6.200490
  C       0.036823     -5.500578      7.500501
  C      -0.794005     -4.636169      8.249061
  C      -1.977023     -4.179805      7.710022
  C      -2.368111     -4.579264      6.409326
  N      -3.542132     -4.209851      5.815241
  C      -4.559649     -3.792150      6.596673
  C      -4.926618     -4.435770      7.825948
  O      -4.539936     -5.453089      8.351847
  Cl     -6.328934     -3.501458      8.606287
  H      -2.612557     -3.048642     -0.962230
  H      -1.828217     -0.735710     -1.273944
  H      -1.517378      0.774295      0.684273
  H      -1.932224     -0.057746      2.977370
  H      -3.175764     -2.004606      5.493138
  H      -6.387701     -7.649025      5.926994
  H      -8.607502     -6.894920      6.674219
  H      -9.427863     -4.606820      6.096066
  H      -7.985455     -3.053402      4.825786
  H      -6.260335     -1.810539      4.760056
  H       0.410229     -6.450027      5.623475
  H       0.970745     -5.861684      7.934088
  H      -0.486826     -4.309001      9.242597
  H      -2.609880     -3.486299      8.262081
  H      -5.218038     -3.011188      6.237515
  N      -5.740533     -5.242526      1.869489
  H      -6.150981     -6.130839      2.153965
  H      -5.052742     -5.378430      1.154474
  H      -6.496209     -4.599909      1.644238
  N      -0.569215     -3.945335      2.386069
  N       0.413901     -3.630382      1.991092
77
Coordinates from ORCA-job orca E -7409.173253949593
  N      -3.142783     -4.155543      1.542957
  C      -3.278040     -5.083654      0.402514
  C      -3.514422     -6.548477      0.872404
  N      -3.072973     -6.635833      2.292552
  C      -3.626072     -7.817053      3.028808
  C      -4.133710     -7.445327      4.433355
  N      -4.686977     -6.111261      4.387558
  Mo     -3.588533     -4.610597      3.529575
  N      -1.823810     -5.499993      4.309910
  C      -1.001766     -6.466142      3.589998
  C      -1.588105     -6.708784      2.228734
  H      -0.960418     -7.408966      4.165581
  H       0.037713     -6.114239      3.491669
  H      -1.301738     -7.700797      1.841023
  H      -1.242876     -5.956288      1.515903
  H      -4.898161     -8.179716      4.725649
  H      -3.320238     -7.507313      5.173594
  H      -4.439757     -8.247147      2.430169
  H      -2.842800     -8.584588      3.118549
  H      -2.318505     -5.075742     -0.139173
  H      -4.060998     -4.759588     -0.303609
  H      -2.875814     -7.212490      0.266287
  H      -4.539449     -6.920426      0.759844
  C      -2.667707     -2.911447      1.220653
  C      -2.424103     -2.428928     -0.081657
  C      -1.994897     -1.120575     -0.259274
  C      -1.817729     -0.264902      0.842246
  C      -2.040673     -0.726230      2.130176
  C      -2.421310     -2.063361      2.336138
  N      -2.706176     -2.631863      3.569544
  C      -2.444198     -1.933632      4.708111
  C      -1.321946     -1.152378      5.120247
  O      -1.300980     -0.367022      6.045040
  Cl      0.290023     -1.553855      4.298727
  C      -5.892450     -5.784804      4.916800
  C      -6.729606     -6.643589      5.671301
  C      -7.973847     -6.211554      6.094252
  C      -8.427997     -4.915674      5.775445
  C      -7.615484     -4.043050      5.074247
  C      -6.319338     -4.436117      4.666658
  N      -5.464975     -3.622846      3.941087
  C      -5.735476     -2.285935      3.906969
  C      -5.563572     -1.542519      2.718347
  O      -5.351269     -1.896855      1.575077
  Cl     -5.781563      0.279659      3.056480
  C      -1.464383     -5.329792      5.604286
  C      -0.277528     -5.840577      6.199772
  C       0.045719     -5.500822      7.499861
  C      -0.783931     -4.639184      8.252614
  C      -1.969198     -4.183291      7.717759
  C      -2.362318     -4.580675      6.417351
  N      -3.538330     -4.211871      5.827234
  C      -4.554657     -3.800380      6.610541
  C      -4.911706     -4.444251      7.844312
  O      -4.509885     -5.454331      8.372067
  Cl     -6.313798     -3.517928      8.630808
  H      -2.606247     -3.056806     -0.951941
  H      -1.829591     -0.743695     -1.269744
  H      -1.527903      0.774263      0.684435
  H      -1.943417     -0.051631      2.978298
  H      -3.183571     -2.011538      5.500749
  H      -6.387298     -7.643565      5.935199
  H      -8.608289     -6.882765      6.674509
  H      -9.423406     -4.596227      6.085686
  H      -7.974263     -3.047754      4.814876
  H      -6.239363     -1.805795      4.747480
  H       0.414899     -6.447737      5.620837
  H       0.980812     -5.862578      7.930354
  H      -0.474665     -4.314025      9.246176
  H      -2.602304     -3.492517      8.273232
  H      -5.219103     -3.023084      6.254393
  N      -5.781936     -5.247996      1.848433
  H      -6.195619     -6.137904      2.122344
  H      -5.083245     -5.378730      1.142142
  H      -6.530799     -4.601169      1.613455
  N      -0.519404     -3.933104      2.379143
  N       0.460318     -3.613580      1.980396
77
Coordinates from ORCA-job orca E -7409.178432942500
  N      -3.139669     -4.159426      1.555345
  C      -3.271153     -5.082191      0.411182
  C      -3.515244     -6.545820      0.871518
  N      -3.080230     -6.638987      2.292643
  C      -3.642473     -7.818280      3.021302
  C      -4.136403     -7.448555      4.430002
  N      -4.682563     -6.110955      4.390258
  Mo     -3.580860     -4.611168      3.535004
  N      -1.822683     -5.498381      4.314585
  C      -1.007420     -6.470588      3.594902
  C      -1.594711     -6.710685      2.233951
  H      -0.970723     -7.412713      4.171903
  H       0.034066     -6.124899      3.494365
  H      -1.304504     -7.700533      1.843380
  H      -1.249457     -5.953575      1.525753
  H      -4.902900     -8.179052      4.726451
  H      -3.318154     -7.515753      5.164488
  H      -4.468072     -8.229117      2.425689
  H      -2.870553     -8.598964      3.098009
  H      -2.306234     -5.075674     -0.121103
  H      -4.045167     -4.750250     -0.300833
  H      -2.872096     -7.205470      0.265103
  H      -4.539463     -6.915864      0.746601
  C      -2.664368     -2.913484      1.231419
  C      -2.420412     -2.433912     -0.071731
  C      -1.995092     -1.124568     -0.252920
  C      -1.822952     -0.265108      0.845983
  C      -2.045298     -0.724109      2.134961
  C      -2.419434     -2.062420      2.344344
  N      -2.700396     -2.631671      3.578060
  C      -2.449368     -1.931126      4.716773
  C      -1.335065     -1.135506      5.126568
  O      -1.323773     -0.349899      6.051271
  Cl      0.276576     -1.515304      4.299905
  C      -5.885542     -5.782138      4.922933
  C      -6.723795     -6.636685      5.680879
  C      -7.967467     -6.200101      6.101118
  C      -8.418782     -4.904805      5.776089
  C      -7.604245     -4.035982      5.071931
  C      -6.309013     -4.433968      4.667781
  N      -5.450189     -3.627777      3.939846
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  C      -5.565398     -1.560670      2.694981
  O      -5.357253     -1.922039      1.553190
  Cl     -5.796826      0.266634      3.017753
  C      -1.458218     -5.328754      5.608348
  C      -0.268987     -5.838277      6.199544
  C       0.057571     -5.499332      7.499136
  C      -0.770771     -4.639756      8.255553
  C      -1.958618     -4.185309      7.725076
  C      -2.354840     -4.582382      6.425725
  N      -3.533273     -4.214635      5.838848
  C      -4.552789     -3.810206      6.618747
  C      -4.911946     -4.456224      7.852699
  O      -4.506508     -5.464684      8.380052
  Cl     -6.333090     -3.549147      8.622371
  H      -2.600195     -3.063468     -0.941118
  H      -1.830359     -0.750499     -1.264503
  H      -1.537305      0.774880      0.686042
  H      -1.953098     -0.045692      2.980552
  H      -3.187297     -2.017270      5.509616
  H      -6.383683     -7.636371      5.948800
  H      -8.603874     -6.867393      6.683725
  H      -9.414067     -4.582513      6.083875
  H      -7.960234     -3.040877      4.808100
  H      -6.217807     -1.801690      4.733588
  H       0.422376     -6.444747      5.618628
  H       0.994274     -5.860689      7.926432
  H      -0.458792     -4.315241      9.248474
  H      -2.591121     -3.496237      8.283307
  H      -5.222733     -3.038711      6.259510
  N      -5.826100     -5.253985      1.827106
  H      -6.242930     -6.145585      2.089831
  H      -5.116674     -5.379016      1.129766
  H      -6.568464     -4.603660      1.582163
  N      -0.469717     -3.921524      2.372798
  N       0.506818     -3.597825      1.970280
77
Coordinates from ORCA-job orca E -7409.183381654826
  N      -3.137347     -4.162165      1.567273
  C      -3.266865     -5.079715      0.420119
  C      -3.517879     -6.541962      0.872328
  N      -3.087936     -6.640894      2.294024
  C      -3.658608     -7.818621      3.015345
  C      -4.138746     -7.451371      4.428097
  N      -4.678374     -6.110659      4.393456
  Mo     -3.572775     -4.611608      3.541504
  N      -1.819711     -5.497937      4.320080
  C      -1.012030     -6.475813      3.599689
  C      -1.601757     -6.712118      2.239326
  H      -0.979463     -7.417604      4.177470
  H       0.031378     -6.136464      3.495839
  H      -1.308723     -7.699721      1.845061
  H      -1.256773     -5.950230      1.535901
  H      -4.906772     -8.178402      4.728935
  H      -3.315710     -7.523159      5.156771
  H      -4.495791     -8.210208      2.423178
  H      -2.897955     -8.611735      3.078670
  H      -2.297627     -5.075366     -0.104605
  H      -4.033131     -4.740537     -0.296679
  H      -2.871115     -7.197609      0.265102
  H      -4.541522     -6.909546      0.736509
  C      -2.661473     -2.914525      1.242666
  C      -2.416746     -2.437232     -0.061138
  C      -1.995118     -1.127029     -0.245295
  C      -1.828169     -0.264129      0.851429
  C      -2.050034     -0.721319      2.141123
  C      -2.417754     -2.060957      2.353527
  N      -2.694653     -2.630577      3.587679
  C      -2.453112     -1.928480      4.726587
  C      -1.346227     -1.120327      5.134958
  O      -1.343577     -0.335665      6.060504
  Cl      0.265387     -1.479555      4.303610
  C      -5.879960     -5.780316      4.927300
  C      -6.719922     -6.631109      5.687474
  C      -7.964634     -6.191382      6.101486
  C      -8.414156     -4.897736      5.767700
  C      -7.597047     -4.032224      5.061802
  C      -6.301103     -4.433549      4.664921
  N      -5.436696     -3.634058      3.936080
  C      -5.712841     -2.296082      3.874485
  C      -5.568557     -1.580775      2.667978
  O      -5.363307     -1.948994      1.527860
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  C      -1.450594     -5.328653      5.612861
  C      -0.259006     -5.836782      6.200000
  C       0.070249     -5.499169      7.499322
  C      -0.757495     -4.642584      8.259798
  C      -1.947691     -4.189485      7.733357
  C      -2.345847     -4.584872      6.434337
  N      -3.526253     -4.217346      5.850625
  C      -4.547247     -3.818595      6.627922
  C      -4.902608     -4.461322      7.866898
  O      -4.485357     -5.461587      8.399816
  Cl     -6.327761     -3.561733      8.631831
  H      -2.594200     -3.068236     -0.929800
  H      -1.830675     -0.755356     -1.257790
  H      -1.546746      0.776731      0.689717
  H      -1.963041     -0.039693      2.984660
  H      -3.189558     -2.022272      5.519753
  H      -6.381384     -7.629835      5.961031
  H      -8.603395     -6.855133      6.685541
  H      -9.410482     -4.573610      6.070231
  H      -7.951218     -3.038185      4.791748
  H      -6.200745     -1.799254      4.714365
  H       0.431419     -6.442191      5.616821
  H       1.008485     -5.860027      7.923660
  H      -0.443392     -4.319537      9.252515
  H      -2.580312     -3.502868      8.294550
  H      -5.222691     -3.052890      6.266017
  N      -5.873814     -5.260907      1.805050
  H      -6.293534     -6.154402      2.055953
  H      -5.153453     -5.379692      1.116972
  H      -6.610215     -4.608074      1.549570
  N      -0.421265     -3.910067      2.367672
  N       0.552237     -3.582382      1.961749
77
Coordinates from ORCA-job orca E -7409.188151695368
  N      -3.135711     -4.163553      1.578485
  C      -3.265267     -5.076036      0.429067
  C      -3.522405     -6.536744      0.874838
  N      -3.095756     -6.641424      2.296618
  C      -3.674000     -7.818066      3.011028
  C      -4.139769     -7.453668      4.427976
  N      -4.673508     -6.110234      4.397766
  Mo     -3.563848     -4.612065      3.548992
  N      -1.814225     -5.498846      4.326196
  C      -1.014989     -6.482021      3.604028
  C      -1.608818     -6.713253      2.244490
  H      -0.986147     -7.423879      4.181898
  H       0.030275     -6.149276      3.495747
  H      -1.314313     -7.698605      1.845638
  H      -1.264260     -5.946612      1.545834
  H      -4.908575     -8.177658      4.733975
  H      -3.311474     -7.529373      5.150251
  H      -4.522534     -8.190713      2.423048
  H      -2.924286     -8.622685      3.060520
  H      -2.292975     -5.074524     -0.090355
  H      -4.025305     -4.730387     -0.291166
  H      -2.873298     -7.188936      0.266105
  H      -4.545808     -6.901212      0.729984
  C      -2.659073     -2.914464      1.254165
  C      -2.413491     -2.438704     -0.050142
  C      -1.995311     -1.127793     -0.236632
  C      -1.833322     -0.261918      0.858407
  C      -2.054513     -0.717908      2.148511
  C      -2.416043     -2.058993      2.363476
  N      -2.688496     -2.628708      3.598172
  C      -2.454553     -1.925735      4.737277
  C      -1.354492     -1.106888      5.144906
  O      -1.359187     -0.324095      6.072032
  Cl      0.257343     -1.446644      4.308946
  C      -5.873694     -5.778171      4.932799
  C      -6.714590     -6.624565      5.696735
  C      -7.960165     -6.181565      6.104993
  C      -8.408338     -4.890120      5.761362
  C      -7.589408     -4.028592      5.051889
  C      -6.293080     -4.433321      4.661681
  N      -5.423337     -3.641126      3.930738
  C      -5.703620     -2.303207      3.852790
  C      -5.570660     -1.602793      2.637696
  O      -5.366000     -1.978228      1.499831
  Cl     -5.834711      0.233497      2.927394
  C      -1.441223     -5.329324      5.617778
  C      -0.247160     -5.835470      6.201351
  C       0.084455     -5.498344      7.500139
  C      -0.743027     -4.644393      8.264075
  C      -1.935567     -4.193275      7.741290
  C      -2.335443     -4.587796      6.442853
  N      -3.517611     -4.220532      5.861700
  C      -4.541274     -3.827325      6.634554
  C      -4.896980     -4.466412      7.877649
  O      -4.474884     -5.462534      8.413654
  Cl     -6.337664     -3.582606      8.624613
  H      -2.588912     -3.070900     -0.918227
  H      -1.831094     -0.757975     -1.249831
  H      -1.556113      0.779846      0.695273
  H      -1.972507     -0.033819      2.990557
  H      -3.189366     -2.026514      5.530959
  H      -6.377117     -7.621870      5.976859
  H      -8.600593     -6.841252      6.691814
  H      -9.405489     -4.563953      6.059045
  H      -7.942393     -3.036100      4.774805
  H      -6.184850     -1.797316      4.690963
  H       0.442470     -6.439717      5.615960
  H       1.024338     -5.857965      7.921894
  H      -0.426855     -4.322055      9.256345
  H      -2.568252     -3.508608      8.304831
  H      -5.222012     -3.068736      6.267174
  N      -5.924704     -5.268497      1.782657
  H      -6.347062     -6.164066      2.021102
  H      -5.193396     -5.380555      1.104053
  H      -6.655848     -4.614264      1.516166
  N      -0.374359     -3.898905      2.363291
  N       0.596317     -3.567437      1.954185
77
Coordinates from ORCA-job orca E -7409.192759871777
  N      -3.134463     -4.163371      1.589125
  C      -3.265833     -5.070899      0.438090
  C      -3.528570     -6.529878      0.878968
  N      -3.103541     -6.640414      2.300320
  C      -3.688424     -7.816574      3.008078
  C      -4.139654     -7.455548      4.429253
  N      -4.668318     -6.109896      4.402640
  Mo     -3.554504     -4.612599      3.557318
  N      -1.806881     -5.501386      4.332851
  C      -1.016763     -6.489387      3.607978
  C      -1.615857     -6.714096      2.249363
  H      -0.991499     -7.431775      4.185168
  H       0.030319     -6.163511      3.494597
  H      -1.321337     -7.697193      1.844994
  H      -1.271621     -5.942802      1.555504
  H      -4.908578     -8.177007      4.740789
  H      -3.305923     -7.534449      5.144864
  H      -4.547845     -8.170905      2.424849
  H      -2.949073     -8.631580      3.043478
  H      -2.291694     -5.072692     -0.078249
  H      -4.021108     -4.719453     -0.284260
  H      -2.878492     -7.179251      0.268058
  H      -4.552057     -6.890479      0.726886
  C      -2.656664     -2.913253      1.266087
  C      -2.409647     -2.438351     -0.038489
  C      -1.994481     -1.126917     -0.226445
  C      -1.837438     -0.258604      0.867509
  C      -2.058217     -0.714004      2.157638
  C      -2.414151     -2.056576      2.374470
  N      -2.682328     -2.626311      3.609570
  C      -2.454326     -1.923258      4.749057
  C      -1.360582     -1.095595      5.156943
  O      -1.371393     -0.315787      6.086559
  Cl      0.251882     -1.416978      4.316700
  C      -5.867776     -5.776537      4.937692
  C      -6.709380     -6.618575      5.705374
  C      -7.956531     -6.173110      6.106555
  C      -8.404064     -4.884662      5.751571
  C      -7.583444     -4.027101      5.038324
  C      -6.286203     -4.434360      4.656194
  N      -5.410957     -3.649403      3.923309
  C      -5.696622     -2.312169      3.827643
  C      -5.575123     -1.627279      2.603959
  O      -5.373154     -2.010537      1.468268
  Cl     -5.858117      0.212759      2.875439
  C      -1.430686     -5.331377      5.622948
  C      -0.234312     -5.835561      6.203452
  C       0.099262     -5.498613      7.501617
  C      -0.728126     -4.646993      8.268611
  C      -1.922707     -4.197733      7.749037
  C      -2.324032     -4.591419      6.451065
  N      -3.507732     -4.224076      5.871764
  C      -4.534293     -3.835326      6.639309
  C      -4.890134     -4.467749      7.888286
  O      -4.459338     -5.455222      8.432438
  Cl     -6.336783     -3.590158      8.623213
  H      -2.583115     -3.071455     -0.906201
  H      -1.830052     -0.758343     -1.240049
  H      -1.564237      0.784052      0.703408
  H      -1.981055     -0.028245      2.998796
  H      -3.187640     -2.030466      5.543182
  H      -6.372208     -7.613863      5.993068
  H      -8.598464     -6.828697      6.696288
  H      -9.402457     -4.556945      6.043409
  H      -7.935984     -3.036783      4.753105
  H      -6.171961     -1.797276      4.663546
  H       0.454461     -6.438732      5.615840
  H       1.040676     -5.856775      7.921206
  H      -0.410012     -4.325154      9.260390
  H      -2.555268     -3.514600      8.314556
  H      -5.219916     -3.084291      6.265031
  N      -5.978438     -5.276351      1.759657
  H      -6.403199     -6.174159      1.984839
  H      -5.236101     -5.381252      1.090913
  H      -6.704984     -4.621878      1.481617
  N      -0.329383     -3.888154      2.360197
  N       0.638738     -3.553130      1.948397
77
Coordinates from ORCA-job orca E -7409.197186001366
  N      -3.134099     -4.161513      1.599451
  C      -3.269145     -5.064444      0.447401
  C      -3.536729     -6.521594      0.885055
  N      -3.111151     -6.637981      2.305333
  C      -3.701559     -7.814334      3.006831
  C      -4.138162     -7.457043      4.432307
  N      -4.662772     -6.109633      4.408484
  Mo     -3.544988     -4.613248      3.566636
  N      -1.797899     -5.505127      4.339782
  C      -1.017355     -6.497459      3.611340
  C      -1.622746     -6.714570      2.253838
  H      -0.995420     -7.440763      4.187212
  H       0.031438     -6.178526      3.492315
  H      -1.329558     -7.695408      1.843120
  H      -1.278842     -5.938815      1.564623
  H      -4.906446     -8.176548      4.749818
  H      -3.298774     -7.538238      5.140957
  H      -4.571367     -8.151334      2.428965
  H      -2.971822     -8.638530      3.027903
  H      -2.294584     -5.069683     -0.068531
  H      -4.021566     -4.707957     -0.275437
  H      -2.887345     -7.168974      0.271043
  H      -4.560843     -6.877740      0.728064
  C      -2.655230     -2.910809      1.278308
  C      -2.406725     -2.436149     -0.026441
  C      -1.994415     -1.124270     -0.215186
  C      -1.842139     -0.253979      0.878193
  C      -2.062379     -0.709344      2.168087
  C      -2.413071     -2.053511      2.386230
  N      -2.676727     -2.623384      3.621669
  C      -2.452817     -1.920792      4.761688
  C      -1.364921     -1.085759      5.170249
  O      -1.380453     -0.309772      6.103084
  Cl      0.248253     -1.389645      4.325419
  C      -5.862083     -5.775153      4.942747
  C      -6.703934     -6.612577      5.714759
  C      -7.952996     -6.165053      6.108404
  C      -8.400443     -4.880274      5.740905
  C      -7.578585     -4.026944      5.022951
  C      -6.280298     -4.436273      4.649274
  N      -5.399425     -3.658729      3.914196
  C      -5.690242     -2.322639      3.798909
  C      -5.575624     -1.654357      2.566748
  O      -5.371060     -2.046399      1.434555
  Cl     -5.871796      0.190099      2.818330
  C      -1.419025     -5.334295      5.628267
  C      -0.220427     -5.836311      6.206240
  C       0.114786     -5.498813      7.503616
  C      -0.712772     -4.649104      8.273033
  C      -1.909275     -4.201966      7.756217
  C      -2.311676     -4.595305      6.458813
  N      -3.496566     -4.227816      5.880870
  C      -4.525758     -3.842418      6.643105
  C      -4.882146     -4.466664      7.898456
  O      -4.447363     -5.448604      8.448562
  Cl     -6.340955     -3.600190      8.614417
  H      -2.578406     -3.069974     -0.893915
  H      -1.829666     -0.756336     -1.228975
  H      -1.572955      0.789611      0.713434
  H      -1.989729     -0.022591      3.008865
  H      -3.184465     -2.034021      5.556451
  H      -6.366334     -7.605293      6.010894
  H      -8.596103     -6.816247      6.701691
  H      -9.400196     -4.551248      6.026664
  H      -7.931298     -3.039353      4.728684
  H      -6.160951     -1.797826      4.631143
  H       0.467518     -6.438513      5.616527
  H       1.057693     -5.855085      7.921510
  H      -0.392886     -4.327224      9.264201
  H      -2.541748     -3.519979      8.323249
  H      -5.215964     -3.099391      6.261082
  N      -6.034886     -5.284472      1.737725
  H      -6.461504     -6.184737      1.949234
  H      -5.281670     -5.381910      1.078787
  H      -6.757648     -4.630859      1.447842
  N      -0.287178     -3.877417      2.357766
  N       0.678486     -3.538950      1.943482
77
Coordinates from ORCA-job orca E -7409.201396161412
  N      -3.133372     -4.157960      1.609529
  C      -3.273732     -5.056536      0.456881
  C      -3.545740     -6.511592      0.892386
  N      -3.117922     -6.634139      2.310887
  C      -3.712997     -7.811379      3.006204
  C      -4.135379     -7.458202      4.435875
  N      -4.656945     -6.109493      4.414173
  Mo     -3.535183     -4.614061      3.576358
  N      -1.788066     -5.510229      4.346586
  C      -1.017151     -6.506379      3.614121
  C      -1.628960     -6.714708      2.257589
  H      -0.998687     -7.450999      4.187982
  H       0.033302     -6.194398      3.489747
  H      -1.338269     -7.693218      1.839712
  H      -1.285079     -5.934591      1.573082
  H      -4.902366     -8.176322      4.759551
  H      -3.290292     -7.540813      5.137451
  H      -4.592449     -8.132169      2.433946
  H      -2.992119     -8.643613      3.012898
  H      -2.300112     -5.065117     -0.061140
  H      -4.025098     -4.695397     -0.264785
  H      -2.898812     -7.157807      0.274425
  H      -4.570860     -6.862550      0.732655
  C      -2.652768     -2.907405      1.290786
  C      -2.401719     -2.432654     -0.013924
  C      -1.991372     -1.120635     -0.202568
  C      -1.843865     -0.248839      0.890781
  C      -2.064336     -0.704479      2.180084
  C      -2.411040     -2.050096      2.398782
  N      -2.670889     -2.620312      3.634166
  C      -2.449289     -1.918744      4.774941
  C      -1.366612     -1.077969      5.184691
  O      -1.385543     -0.306624      6.121421
  Cl      0.247227     -1.365521      4.335237
  C      -5.856526     -5.774296      4.947105
  C      -6.698051     -6.607102      5.723760
  C      -7.949056     -6.157838      6.110185
  C      -8.396770     -4.877080      5.730121
  C      -7.574139     -4.028087      5.006788
  C      -6.275039     -4.439246      4.641185
  N      -5.389103     -3.669123      3.903291
  C      -5.686840     -2.335115      3.767657
  C      -5.582326     -1.683834      2.526785
  O      -5.382010     -2.085585      1.397383
  Cl     -5.898357      0.163449      2.757770
  C      -1.407222     -5.338532      5.633489
  C      -0.206869     -5.838771      6.209589
  C       0.129668     -5.500242      7.506074
  C      -0.697901     -4.651551      8.277106
  C      -1.895892     -4.206115      7.762477
  C      -2.299358     -4.599576      6.465709
  N      -3.485132     -4.231836      5.888278
  C      -4.517470     -3.848570      6.644453
  C      -4.875420     -4.462963      7.906420
  O      -4.434510     -5.436029      8.466581
  Cl     -6.338833     -3.598743      8.608372
  H      -2.571559     -3.066933     -0.881362
  H      -1.825432     -0.752884     -1.216227
  H      -1.578079      0.795563      0.725775
  H      -1.995842     -0.017335      3.020911
  H      -3.179223     -2.037349      5.570437
  H      -6.359405     -7.596897      6.028489
  H      -8.592948     -6.804507      6.707509
  H      -9.397765     -4.546903      6.010222
  H      -7.927360     -3.043491      4.703246
  H      -6.153048     -1.800963      4.596339
  H       0.480114     -6.440435      5.618063
  H       1.073797     -5.854668      7.922799
  H      -0.376317     -4.329152      9.267518
  H      -2.527778     -3.524427      8.330459
  H      -5.211765     -3.113923      6.253383
  N      -6.092499     -5.292029      1.716566
  H      -6.520306     -6.194934      1.913950
  H      -5.328748     -5.381837      1.067600
  H      -6.811933     -4.640135      1.414650
  N      -0.246856     -3.867505      2.356256
  N       0.716689     -3.525997      1.939857
77
Coordinates from ORCA-job orca E -7409.205367670854
  N      -3.133834     -4.153272      1.619959
  C      -3.280923     -5.047992      0.467018
  C      -3.556181     -6.501053      0.901414
  N      -3.123955     -6.629688      2.317416
  C      -3.722525     -7.808472      3.007049
  C      -4.131584     -7.459497      4.440725
  N      -4.651371     -6.109877      4.420392
  Mo     -3.525919     -4.615412      3.586919
  N      -1.778084     -5.515663      4.352949
  C      -1.016270     -6.514973      3.616155
  C      -1.634567     -6.714316      2.260720
  H      -1.000797     -7.461116      4.187642
  H       0.035583     -6.209259      3.486677
  H      -1.346844     -7.690360      1.835213
  H      -1.291034     -5.929867      1.580730
  H      -4.896626     -8.176864      4.770585
  H      -3.280950     -7.542364      5.135418
  H      -4.610828     -8.114489      2.440571
  H      -3.009646     -8.647586      2.999557
  H      -2.309788     -5.058987     -0.055938
  H      -4.033473     -4.682795     -0.251514
  H      -2.913487     -7.146937      0.278404
  H      -4.582983     -6.846688      0.741577
  C      -2.652041     -2.903185      1.303536
  C      -2.398818     -2.427864     -0.001133
  C      -1.990534     -1.115642     -0.189244
  C      -1.847622     -0.242649      0.904396
  C      -2.068085     -0.698896      2.193001
  C      -2.410946     -2.046096      2.411872
  N      -2.666524     -2.617133      3.647138
  C      -2.445541     -1.916818      4.788751
  C      -1.367662     -1.070862      5.199169
  O      -1.388699     -0.304633      6.140258
  Cl      0.246170     -1.342408      4.343946
  C      -5.852157     -5.774319      4.950771
  C      -6.693302     -6.602583      5.731894
  C      -7.946570     -6.151969      6.110658
  C      -8.394929     -4.875586      5.717823
  C      -7.571794     -4.030851      4.988913
  C      -6.271729     -4.443463      4.631590
  N      -5.380234     -3.680681      3.891269
  C      -5.683069     -2.349018      3.733845
  C      -5.578379     -1.714251      2.485443
  O      -5.369637     -2.125141      1.360986
  Cl     -5.901971      0.137337      2.695769
  C      -1.395301     -5.342907      5.638421
  C      -0.193275     -5.841291      6.212781
  C       0.144710     -5.501163      7.508247
  C      -0.682869     -4.653093      8.280397
  C      -1.882405     -4.209497      7.767794
  C      -2.287009     -4.603619      6.471859
  N      -3.473626     -4.236020      5.894817
  C      -4.508521     -3.853577      6.645795
  C      -4.867469     -4.457150      7.914397
  O      -4.424434     -5.424410      8.482354
  Cl     -6.339059     -3.597872      8.599217
  H      -2.566840     -3.062473     -0.868648
  H      -1.823450     -0.747641     -1.202645
  H      -1.585384      0.802637      0.739309
  H      -2.003322     -0.011694      3.034108
  H      -3.173000     -2.040776      5.585705
  H      -6.353196     -7.589139      6.045563
  H      -8.591175     -6.794091      6.712089
  H      -9.397266     -4.544611      5.992244
  H      -7.925871     -3.049579      4.675779
  H      -6.147312     -1.804539      4.556786
  H       0.492706     -6.442595      5.619538
  H       1.090075     -5.853547      7.923971
  H      -0.359616     -4.329722      9.269935
  H      -2.513661     -3.527864      8.336530
  H      -5.206480     -3.127097      6.246016
  N      -6.151893     -5.300716      1.698645
  H      -6.579714     -6.206710      1.881939
  H      -5.378111     -5.382568      1.059031
  H      -6.868710     -4.651294      1.384808
  N      -0.209758     -3.857136      2.354567
  N       0.751483     -3.512482      1.935883
77
Coordinates from ORCA-job orca E -7409.209096542940
  N      -3.132299     -4.147209      1.630023
  C      -3.287358     -5.038228      0.477003
  C      -3.565917     -6.488933      0.910517
  N      -3.128400     -6.624120      2.323490
  C      -3.730227     -7.804677      3.007643
  C      -4.126885     -7.460038      4.444970
  N      -4.645527     -6.109896      4.425565
  Mo     -3.516257     -4.616619      3.596964
  N      -1.768373     -5.521529      4.358429
  C      -1.014944     -6.523565      3.617642
  C      -1.638812     -6.713445      2.262839
  H      -1.002894     -7.471411      4.186370
  H       0.038304     -6.223836      3.484352
  H      -1.354571     -7.686990      1.829482
  H      -1.295242     -5.924777      1.587434
  H      -4.889669     -8.176961      4.780924
  H      -3.270891     -7.542531      5.132931
  H      -4.626604     -8.096751      2.446754
  H      -3.024936     -8.649914      2.986389
  H      -2.319878     -5.051049     -0.052846
  H      -4.042499     -4.668862     -0.236814
  H      -2.929271     -7.135470      0.281952
  H      -4.594670     -6.828308      0.752434
  C      -2.647654     -2.898506      1.315891
  C      -2.390140     -2.422834      0.011563
  C      -1.982138     -1.110958     -0.175216
  C      -1.844086     -0.237033      0.919062
  C      -2.066434     -0.693629      2.206641
  C      -2.407613     -2.041935      2.425026
  N      -2.660603     -2.613896      3.659647
  C      -2.438698     -1.915262      4.802115
  C      -1.364641     -1.065626      5.213257
  O      -1.386619     -0.304870      6.158943
  Cl      0.248713     -1.322802      4.352224
  C      -5.847304     -5.774326      4.953772
  C      -6.687165     -6.598283      5.739893
  C      -7.941934     -6.146248      6.113230
  C      -8.391197     -4.873957      5.709474
  C      -7.568513     -4.033512      4.974083
  C      -6.268337     -4.447802      4.622625
  N      -5.373100     -3.692336      3.878029
  C      -5.684504     -2.364461      3.699369
  C      -5.592445     -1.746849      2.442272
  O      -5.395143     -2.169140      1.320338
  Cl     -5.939980      0.105209      2.631697
  C      -1.384483     -5.347995      5.642941
  C      -0.181708     -5.845434      6.216417
  C       0.157159     -5.503808      7.511098
  C      -0.670303     -4.655601      8.283487
  C      -1.870683     -4.212960      7.772008
  C      -2.275926     -4.607678      6.476695
  N      -3.462755     -4.240057      5.899269
  C      -4.500376     -3.857342      6.645029
  C      -4.860730     -4.449781      7.919445
  O      -4.414351     -5.409280      8.497535
  Cl     -6.335060     -3.588678      8.592176
  H      -2.556018     -3.057520     -0.856256
  H      -1.812139     -0.742717     -1.188042
  H      -1.583976      0.808804      0.754243
  H      -2.005044     -0.006619      3.048154
  H      -3.163503     -2.043777      5.600744
  H      -6.345290     -7.581699      6.061488
  H      -8.586461     -6.783936      6.719395
  H      -9.394243     -4.542085      5.980209
  H      -7.923674     -3.055428      4.652327
  H      -6.145106     -1.810951      4.518151
  H       0.503248     -6.446929      5.622044
  H       1.103166     -5.854827      7.926507
  H      -0.345937     -4.331334      9.272335
  H      -2.501144     -3.530871      8.341005
  H      -5.201536     -3.138930      6.236322
  N      -6.210214     -5.307616      1.681424
  H      -6.637556     -6.216727      1.850164
  H      -5.427029     -5.381692      1.051348
  H      -6.924263     -4.660884      1.355689
  N      -0.173040     -3.848472      2.353248
  N       0.786416     -3.501478      1.932543
77
Coordinates from ORCA-job orca E -7409.212594692299
  N      -3.132837     -4.140812      1.641026
  C      -3.296934     -5.028457      0.487898
  C      -3.577309     -6.477230      0.921041
  N      -3.132302     -6.618854      2.330406
  C      -3.736294     -7.801571      3.009802
  C      -4.121789     -7.461438      4.450562
  N      -4.640404     -6.111086      4.431651
  Mo     -3.507852     -4.618874      3.608024
  N      -1.759443     -5.526689      4.363084
  C      -1.013177     -6.530664      3.618178
  C      -1.642602     -6.711929      2.264259
  H      -1.003572     -7.480230      4.184115
  H       0.041053     -6.235583      3.481396
  H      -1.361530     -7.682822      1.823098
  H      -1.299928     -5.918998      1.593054
  H      -4.881928     -8.178485      4.792119
  H      -3.260833     -7.542700      5.132324
  H      -4.640131     -8.080770      2.454462
  H      -3.037904     -8.652054      2.975177
  H      -2.334616     -5.041380     -0.051472
  H      -4.056849     -4.655371     -0.219113
  H      -2.948507     -7.125308      0.285825
  H      -4.608940     -6.810400      0.767367
  C      -2.646919     -2.893287      1.328806
  C      -2.387037     -2.416610      0.024693
  C      -1.980359     -1.104638     -0.160812
  C      -1.846689     -0.230068      0.934183
  C      -2.069725     -0.687440      2.220879
  C      -2.408208     -2.037177      2.438722
  N      -2.657235     -2.610764      3.672922
  C      -2.433297     -1.913944      4.816141
  C      -1.362705     -1.060301      5.226812
  O      -1.384680     -0.304992      6.177143
  Cl      0.248997     -1.302879      4.358166
  C      -5.844413     -5.775819      4.956006
  C      -6.683617     -6.595965      5.746027
  C      -7.940380     -6.143071      6.112909
  C      -8.390864     -4.874911      5.698512
  C      -7.568555     -4.038217      4.957497
  C      -6.267784     -4.453621      4.612511
  N      -5.367760     -3.705067      3.865113
  C      -5.682588     -2.380748      3.663457
  C      -5.581230     -1.779881      2.399458
  O      -5.366058     -2.213021      1.285131
  Cl     -5.927976      0.076637      2.564955
  C      -1.373884     -5.352177      5.646887
  C      -0.170010     -5.848108      6.218947
  C       0.170334     -5.504504      7.512699
  C      -0.656980     -4.656182      8.285255
  C      -1.858705     -4.215090      7.775306
  C      -2.265301     -4.611195      6.480982
  N      -3.453020     -4.244694      5.903492
  C      -4.493258     -3.861160      6.644920
  C      -4.854923     -4.443071      7.924189
  O      -4.407313     -5.396566      8.511238
  Cl     -6.332155     -3.579584      8.585787
  H      -2.550996     -3.051315     -0.843481
  H      -1.808478     -0.735770     -1.173123
  H      -1.589518      0.816553      0.769642
  H      -2.011368     -0.000689      3.062830
  H      -3.154301     -2.047637      5.617401
  H      -6.340018     -7.576169      6.075647
  H      -8.585111     -6.776757      6.723068
  H      -9.394926     -4.542725      5.965176
  H      -7.925079     -3.063481      4.627219
  H      -6.144764     -1.815805      4.473403
  H       0.514030     -6.449623      5.623340
  H       1.117335     -5.853727      7.927421
  H      -0.331281     -4.330498      9.273215
  H      -2.488317     -3.532621      8.344698
  H      -5.197222     -3.150220      6.228042
  N      -6.270548     -5.316620      1.668970
  H      -6.696285     -6.229340      1.823152
  H      -5.478556     -5.382461      1.047243
  H      -6.982442     -4.672946      1.331758
  N      -0.140120     -3.838371      2.350979
  N       0.816981     -3.488438      1.927702
77
Coordinates from ORCA-job orca E -7409.215897363780
  N      -3.129876     -4.133146      1.651367
  C      -3.304018     -5.017235      0.498205
  C      -3.586979     -6.463695      0.930713
  N      -3.134453     -6.612418      2.336197
  C      -3.740879     -7.797117      3.010986
  C      -4.116156     -7.461638      4.454799
  N      -4.634994     -6.111372      4.436332
  Mo     -3.498888     -4.620387      3.617848
  N      -1.751363     -5.531400      4.366567
  C      -1.011241     -6.537050      3.618289
  C      -1.644924     -6.709709      2.264669
  H      -1.004822     -7.488347      4.181306
  H       0.044057     -6.246424      3.479678
  H      -1.367229     -7.678083      1.816051
  H      -1.302676     -5.912777      1.597654
  H      -4.873574     -8.179016      4.801557
  H      -3.250525     -7.541495      5.130639
  H      -4.651491     -8.063935      2.460759
  H      -3.049211     -8.652415      2.963758
  H      -2.347658     -5.029665     -0.051742
  H      -4.069401     -4.639710     -0.200686
  H      -2.967757     -7.114539      0.288899
  H      -4.621624     -6.789276      0.782754
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  C      -2.375072     -2.410672      0.037408
  C      -1.967527     -1.099233     -0.146173
  C      -1.838936     -0.224116      0.949682
  C      -2.065362     -0.681723      2.235201
  C      -2.403635     -2.032231      2.451940
  N      -2.651196     -2.607342      3.685179
  C      -2.424348     -1.912903      4.829036
  C      -1.355984     -1.056779      5.239380
  O      -1.377085     -0.307024      6.194292
  Cl      0.253655     -1.287035      4.363521
  C      -5.840276     -5.776632      4.958221
  C      -6.677588     -6.593362      5.753126
  C      -7.935015     -6.139349      6.117181
  C      -8.387050     -4.874583      5.694945
  C      -7.566521     -4.041656      4.947132
  C      -6.266211     -4.458480      4.604851
  N      -5.364525     -3.716800      3.851710
  C      -5.687133     -2.397733      3.628048
  C      -5.598179     -1.817522      2.353904
  O      -5.396946     -2.268162      1.244199
  Cl     -5.965381      0.038425      2.491429
  C      -1.365137     -5.356566      5.650224
  C      -0.161315     -5.852204      6.221900
  C       0.179509     -5.507349      7.515247
  C      -0.647835     -4.658616      8.287313
  C      -1.850005     -4.217977      7.777781
  C      -2.256680     -4.614563      6.483813
  N      -3.444230     -4.248528      5.905620
  C      -4.486121     -3.862807      6.643743
  C      -4.847623     -4.434215      7.927349
  O      -4.400621     -5.383475      8.521703
  Cl     -6.329356     -3.569819      8.578087
  H      -2.536603     -3.045173     -0.831331
  H      -1.791447     -0.730105     -1.157665
  H      -1.582900      0.822864      0.785749
  H      -2.010028      0.004766      3.077546
  H      -3.141687     -2.051079      5.632863
  H      -6.332107     -7.570774      6.089052
  H      -8.578737     -6.769331      6.732209
  H      -9.391167     -4.541764      5.960567
  H      -7.924759     -3.069898      4.610066
  H      -6.146615     -1.821768      4.431611
  H       0.522017     -6.454145      5.625794
  H       1.126707     -5.855832      7.930097
  H      -0.321847     -4.332223      9.274930
  H      -2.479184     -3.535196      8.347246
  H      -5.192396     -3.158598      6.219660
  N      -6.328407     -5.321990      1.656230
  H      -6.752567     -6.238049      1.795214
  H      -5.528293     -5.380163      1.043201
  H      -7.037461     -4.681022      1.307593
  N      -0.106099     -3.830579      2.348953
  N       0.849290     -3.478816      1.923460
77
Coordinates from ORCA-job orca E -7409.219018693550
  N      -3.127724     -4.125538      1.662451
  C      -3.312844     -5.005802      0.509070
  C      -3.597330     -6.450412      0.940867
  N      -3.135839     -6.606502      2.342086
  C      -3.743916     -7.793457      3.012668
  C      -4.110597     -7.462905      4.459304
  N      -4.630503     -6.112918      4.441389
  Mo     -3.490952     -4.622940      3.628065
  N      -1.744352     -5.535221      4.369139
  C      -1.008930     -6.541816      3.617522
  C      -1.646634     -6.706875      2.264315
  H      -1.004956     -7.494783      4.177686
  H       0.047091     -6.254414      3.477592
  H      -1.371788     -7.672700      1.808642
  H      -1.305641     -5.905956      1.601130
  H      -4.865107     -8.181224      4.810311
  H      -3.240897     -7.540931      5.130001
  H      -4.660514     -8.049089      2.467106
  H      -3.058205     -8.652758      2.953668
  H      -2.363626     -5.015957     -0.053226
  H      -4.085285     -4.623639     -0.179590
  H      -2.989364     -7.104895      0.291814
  H      -4.635599     -6.768084      0.800743
  C      -2.635655     -2.881821      1.353650
  C      -2.367308     -2.403702      0.050779
  C      -1.959739     -1.092392     -0.130930
  C      -1.835404     -0.217179      0.965868
  C      -2.064132     -0.675544      2.250321
  C      -2.401323     -2.027012      2.465777
  N      -2.646537     -2.604221      3.698146
  C      -2.415899     -1.912568      4.842619
  C      -1.349078     -1.053945      5.251639
  O      -1.368486     -0.309480      6.210895
  Cl      0.257300     -1.272090      4.367009
  C      -5.837708     -5.778911      4.959787
  C      -6.673781     -6.592745      5.758559
  C      -7.931875     -6.137782      6.119708
  C      -8.385325     -4.875885      5.690727
  C      -7.566420     -4.046353      4.937001
  C      -6.266460     -4.464475      4.597080
  N      -5.363200     -3.729191      3.839175
  C      -5.690042     -2.415387      3.592260
  C      -5.597267     -1.856433      2.308944
  O      -5.386994     -2.325225      1.208399
  Cl     -5.968659      0.001051      2.413235
  C      -1.357189     -5.360109      5.652828
  C      -0.153110     -5.855028      6.223678
  C       0.188610     -5.508646      7.516468
  C      -0.638625     -4.659363      8.288014
  C      -1.841571     -4.219596      7.779295
  C      -2.249232     -4.617547      6.486059
  N      -3.437408     -4.253130      5.907259
  C      -4.481501     -3.864999      6.641873
  C      -4.844461     -4.427385      7.928365
  O      -4.396274     -5.369988      8.532565
  Cl     -6.323439     -3.553419      8.574810
  H      -2.526931     -3.037754     -0.818624
  H      -1.780602     -0.722659     -1.141676
  H      -1.581075      0.830339      0.802692
  H      -2.011612      0.010576      3.093134
  H      -3.128456     -2.055864      5.649824
  H      -6.326832     -7.567640      6.100313
  H      -8.574795     -6.764519      6.738906
  H      -9.389459     -4.542517      5.955626
  H      -7.926230     -3.077254      4.593963
  H      -6.151287     -1.826592      4.385376
  H       0.529684     -6.457230      5.627084
  H       1.136287     -5.856105      7.931068
  H      -0.312044     -4.331738      9.275041
  H      -2.469996     -3.536327      8.348853
  H      -5.189320     -3.166811      6.210454
  N      -6.387316     -5.328768      1.647078
  H      -6.809018     -6.248469      1.770551
  H      -5.579700     -5.378838      1.041825
  H      -7.093701     -4.690556      1.287442
  N      -0.074555     -3.822213      2.346086
  N       0.878753     -3.468225      1.917891
77
Coordinates from ORCA-job orca E -7409.221956310895
  N      -3.123571     -4.117380      1.673391
  C      -3.320738     -4.993498      0.519746
  C      -3.606910     -6.436321      0.950639
  N      -3.136081     -6.600210      2.347357
  C      -3.745593     -7.789357      3.014003
  C      -4.105123     -7.463719      4.463119
  N      -4.626525     -6.114190      4.445982
  Mo     -3.483197     -4.625190      3.637557
  N      -1.738329     -5.537807      4.370687
  C      -1.006430     -6.544991      3.616177
  C      -1.647447     -6.703262      2.263251
  H      -1.004957     -7.499471      4.173671
  H       0.050197     -6.260196      3.475872
  H      -1.375199     -7.666769      1.801270
  H      -1.307861     -5.898693      1.603509
  H      -4.856694     -8.183393      4.817556
  H      -3.231898     -7.539734      5.129352
  H      -4.667268     -8.035108      2.472458
  H      -3.065163     -8.652007      2.944506
  H      -2.379433     -5.000514     -0.055764
  H      -4.101118     -4.605947     -0.156953
  H      -3.011832     -7.095578      0.294374
  H      -4.649029     -6.745011      0.819887
  C      -2.628437     -2.875481      1.366205
  C      -2.356578     -2.396205      0.064135
  C      -1.948375     -1.085103     -0.115445
  C      -1.828131     -0.210060      0.982383
  C      -2.059901     -0.669228      2.265679
  C      -2.396800     -2.021431      2.479516
  N      -2.640666     -2.600806      3.710810
  C      -2.405383     -1.912570      4.855855
  C      -1.338940     -1.052288      5.263008
  O      -1.355700     -0.313000      6.226393
  Cl      0.263370     -1.260111      4.369161
  C      -5.835054     -5.780926      4.961643
  C      -6.669437     -6.592226      5.764587
  C      -7.927442     -6.136256      6.124867
  C      -8.382486     -4.876619      5.690837
  C      -7.565974     -4.050415      4.930846
  C      -6.266632     -4.469742      4.591142
  N      -5.363772     -3.740745      3.826987
  C      -5.695250     -2.433080      3.556032
  C      -5.604866     -1.899837      2.261510
  O      -5.395414     -2.392594      1.171021
  Cl     -5.985148     -0.043256      2.325558
  C      -1.350625     -5.362976      5.654738
  C      -0.146702     -5.857662      6.225138
  C       0.195329     -5.510422      7.517724
  C      -0.632152     -4.660918      8.288713
  C      -1.835531     -4.221646      7.780366
  C      -2.243318     -4.620140      6.487366
  N      -3.431626     -4.257096      5.907865
  C      -4.476478     -3.865165      6.640453
  C      -4.838752     -4.418523      7.929989
  O      -4.393853     -5.359396      8.539419
  Cl     -6.321968     -3.542962      8.567771
  H      -2.514416     -3.029492     -0.806115
  H      -1.765785     -0.714804     -1.125367
  H      -1.574872      0.837877      0.820238
  H      -2.010110      0.016468      3.108989
  H      -3.112442     -2.061069      5.667020
  H      -6.321088     -7.565004      6.110971
  H      -8.568937     -6.760098      6.748471
  H      -9.386115     -4.542540      5.956729
  H      -7.927584     -3.083717      4.583013
  H      -6.156977     -1.829968      4.337980
  H       0.535859     -6.460053      5.628370
  H       1.143138     -5.857401      7.932388
  H      -0.305666     -4.332733      9.275596
  H      -2.463831     -3.538472      8.350142
  H      -5.185123     -3.171630      6.203135
  N      -6.444999     -5.333615      1.639517
  H      -6.864021     -6.256811      1.747175
  H      -5.630573     -5.375860      1.041688
  H      -7.148325     -4.697800      1.269136
  N      -0.043254     -3.815091      2.342757
  N       0.908094     -3.459432      1.911774
77
Coordinates from ORCA-job orca E -7409.224680511108
  N      -3.118230     -4.110518      1.683845
  C      -3.328111     -4.982491      0.529924
  C      -3.615727     -6.423372      0.960089
  N      -3.135239     -6.594839      2.352069
  C      -3.745572     -7.786283      3.014983
  C      -4.099729     -7.465417      4.466054
  N      -4.623243     -6.116627      4.449596
  Mo     -3.475906     -4.628332      3.646065
  N      -1.733153     -5.539734      4.371498
  C      -1.003429     -6.547017      3.614501
  C      -1.647244     -6.699602      2.261756
  H      -1.004046     -7.502777      4.169656
  H       0.053581     -6.263893      3.474368
  H      -1.376918     -7.660976      1.794334
  H      -1.309464     -5.891645      1.605008
  H      -4.848272     -8.186958      4.823057
  H      -3.223656     -7.538980      5.128736
  H      -4.671249     -8.023866      2.476618
  H      -3.069373     -8.651429      2.936542
  H      -2.395362     -4.985561     -0.059366
  H      -4.117173     -4.589565     -0.133443
  H      -3.034745     -7.088428      0.296989
  H      -4.661932     -6.722349      0.840044
  C      -2.620540     -2.870138      1.378264
  C      -2.346101     -2.389452      0.076966
  C      -1.937806     -1.078367     -0.100625
  C      -1.821429     -0.203538      0.998158
  C      -2.055879     -0.663597      2.280354
  C      -2.392070     -2.016576      2.492700
  N      -2.634750     -2.597896      3.722985
  C      -2.394075     -1.913348      4.868445
  C      -1.327276     -1.051699      5.272988
  O      -1.340792     -0.317032      6.239987
  Cl      0.270202     -1.250285      4.369367
  C      -5.833050     -5.784251      4.962309
  C      -6.665963     -6.593513      5.768754
  C      -7.923456     -6.136450      6.129175
  C      -8.379579     -4.878137      5.691952
  C      -7.565387     -4.054932      4.926437
  C      -6.267022     -4.475746      4.585317
  N      -5.365498     -3.752559      3.815071
  C      -5.700771     -2.450420      3.523141
  C      -5.609478     -1.937301      2.220344
  O      -5.395135     -2.448464      1.138916
  Cl     -5.996443     -0.083134      2.251157
  C      -1.345400     -5.365081      5.656126
  C      -0.141523     -5.858993      6.226380
  C       0.200468     -5.510553      7.518716
  C      -0.627550     -4.660736      8.288743
  C      -1.831366     -4.222441      7.780490
  C      -2.239357     -4.622306      6.487889
  N      -3.428077     -4.261518      5.907189
  C      -4.474583     -3.865585      6.636653
  C      -4.838693     -4.411157      7.928019
  O      -4.393537     -5.346054      8.546587
  Cl     -6.316826     -3.523212      8.564124
  H      -2.502286     -3.021885     -0.794161
  H      -1.752338     -0.707497     -1.109806
  H      -1.569550      0.844885      0.837053
  H      -2.008972      0.021769      3.124094
  H      -3.094620     -2.067198      5.684267
  H      -6.316549     -7.564688      6.118606
  H      -8.563541     -6.757856      6.756658
  H      -9.382326     -4.543056      5.959868
  H      -7.928379     -3.089948      4.575260
  H      -6.164217     -1.835581      4.294830
  H       0.541234     -6.461409      5.629787
  H       1.148461     -5.856659      7.933629
  H      -0.301315     -4.331494      9.275364
  H      -2.459552     -3.539169      8.350113
  H      -5.183032     -3.176148      6.192578
  N      -6.502305     -5.339670      1.632600
  H      -6.918268     -6.266296      1.724197
  H      -5.681543     -5.374146      1.041974
  H      -7.202247     -4.706201      1.251380
  N      -0.012470     -3.809166      2.338648
  N       0.936837     -3.451930      1.904586
77
Coordinates from ORCA-job orca E -7409.227202606080
  N      -3.111808     -4.105193      1.693514
  C      -3.335014     -4.973568      0.539581
  C      -3.624047     -6.412252      0.969968
  N      -3.133634     -6.590407      2.357027
  C      -3.744122     -7.784025      3.016837
  C      -4.094452     -7.467107      4.469235
  N      -4.620523     -6.119289      4.452774
  Mo     -3.468899     -4.631602      3.653657
  N      -1.728425     -5.540509      4.371946
  C      -0.999964     -6.547739      3.612976
  C      -1.646338     -6.696104      2.260522
  H      -1.002184     -7.504370      4.166467
  H       0.057214     -6.265554      3.473083
  H      -1.377395     -7.655744      1.788825
  H      -1.310736     -5.885306      1.605990
  H      -4.839992     -8.190743      4.828275
  H      -3.216194     -7.537664      5.129304
  H      -4.672839     -8.015318      2.480954
  H      -3.071099     -8.650920      2.931253
  H      -2.411345     -4.972473     -0.063775
  H      -4.133264     -4.575800     -0.109596
  H      -3.058187     -7.084390      0.300829
  H      -4.674555     -6.700739      0.861940
  C      -2.611986     -2.866139      1.389108
  C      -2.335825     -2.384239      0.088371
  C      -1.928041     -1.073020     -0.087786
  C      -1.815374     -0.198033      1.011606
  C      -2.051855     -0.658691      2.292936
  C      -2.386838     -2.012424      2.504364
  N      -2.628457     -2.594876      3.733931
  C      -2.381423     -1.914096      4.879372
  C      -1.313507     -1.051192      5.280136
  O      -1.322992     -0.320499      6.250155
  Cl      0.278317     -1.242021      4.366065
  C      -5.831759     -5.788039      4.961877
  C      -6.663634     -6.595864      5.770853
  C      -7.920775     -6.138145      6.131168
  C      -8.377794     -4.880792      5.691415
  C      -7.565598     -4.060076      4.921510
  C      -6.267830     -4.481903      4.578991
  N      -5.367715     -3.763789      3.803550
  C      -5.706150     -2.466190      3.494670
  C      -5.610356     -1.964741      2.187596
  O      -5.387843     -2.486145      1.112322
  Cl     -6.007045     -0.114770      2.196615
  C      -1.340791     -5.365822      5.657275
  C      -0.136884     -5.858543      6.227611
  C       0.204577     -5.509083      7.519905
  C      -0.624661     -4.659651      8.288982
  C      -1.828940     -4.222698      7.780489
  C      -2.236287     -4.623516      6.487944
  N      -3.425219     -4.265070      5.906046
  C      -4.471991     -3.863887      6.633751
  C      -4.835790     -4.401223      7.927612
  O      -4.395082     -5.335860      8.549975
  Cl     -6.317510     -3.511326      8.555822
  H      -2.490413     -3.016050     -0.783466
  H      -1.740358     -0.701841     -1.096443
  H      -1.565312      0.850928      0.851171
  H      -2.007971      0.026681      3.136856
  H      -3.074318     -2.073407      5.700713
  H      -6.313252     -7.565713      6.123475
  H      -8.559756     -6.757695      6.761620
  H      -9.379778     -4.544919      5.961161
  H      -7.929853     -3.096568      4.567620
  H      -6.173127     -1.843584      4.257983
  H       0.546442     -6.460696      5.631317
  H       1.152686     -5.854188      7.935349
  H      -0.299283     -4.329745      9.275680
  H      -2.457900     -3.540159      8.350100
  H      -5.179672     -3.177211      6.184436
  N      -6.559555     -5.347120      1.626611
  H      -6.972235     -6.276942      1.702347
  H      -5.732816     -5.374196      1.042836
  H      -7.255885     -4.716008      1.234218
  N       0.018128     -3.804668      2.332922
  N       0.965178     -3.446197      1.895192
77
Coordinates from ORCA-job orca E -7409.229538450314
  N      -3.104136     -4.100682      1.702173
  C      -3.340761     -4.965352      0.548186
  C      -3.631453     -6.401608      0.979229
  N      -3.131379     -6.586268      2.361437
  C      -3.741491     -7.782339      3.018140
  C      -4.089330     -7.469096      4.471445
  N      -4.618269     -6.122433      4.454770
  Mo     -3.462360     -4.635005      3.660033
  N      -1.724077     -5.540587      4.372179
  C      -0.996053     -6.547386      3.611446
  C      -1.644687     -6.692342      2.259167
  H      -0.999412     -7.504730      4.163525
  H       0.061127     -6.265501      3.471920
  H      -1.376722     -7.650471      1.783920
  H      -1.311311     -5.879055      1.606476
  H      -4.831848     -8.195061      4.832020
  H      -3.209365     -7.536546      5.129553
  H      -4.672310     -8.009011      2.483910
  H      -3.070506     -8.650164      2.926769
  H      -2.426357     -4.960202     -0.068931
  H      -4.148288     -4.563045     -0.086377
  H      -3.081368     -7.081570      0.304806
  H      -4.686297     -6.678621      0.883851
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  C      -2.324354     -2.379705      0.099038
  C      -1.917417     -1.068295     -0.075684
  C      -1.808810     -0.193012      1.024263
  C      -2.047207     -0.654307      2.304695
  C      -2.380694     -2.008857      2.515293
  N      -2.621880     -2.591827      3.744159
  C      -2.367526     -1.915282      4.889353
  C      -1.297917     -1.051509      5.285804
  O      -1.302727     -0.324510      6.258540
  Cl      0.287865     -1.235808      4.361119
  C      -5.830554     -5.792186      4.961230
  C      -6.661184     -6.598991      5.772505
  C      -7.917610     -6.140595      6.133972
  C      -8.375397     -4.883711      5.693081
  C      -7.565340     -4.065116      4.919103
  C      -6.268390     -4.487901      4.574079
  N      -5.370281     -3.774781      3.792604
  C      -5.712436     -2.481907      3.469112
  C      -5.614323     -1.989199      2.158982
  O      -5.384799     -2.517760      1.088365
  Cl     -6.017944     -0.143117      2.152058
  C      -1.337224     -5.365813      5.658359
  C      -0.133239     -5.857000      6.229052
  C       0.207173     -5.506688      7.521421
  C      -0.623678     -4.657841      8.289353
  C      -1.828326     -4.222428      7.780312
  C      -2.234940     -4.624437      6.487766
  N      -3.424260     -4.268928      5.904182
  C      -4.472657     -3.863246      6.628770
  C      -4.839328     -4.394467      7.923411
  O      -4.398331     -5.323998      8.553566
  Cl     -6.314891     -3.492075      8.551027
  H      -2.477080     -3.010934     -0.773529
  H      -1.727675     -0.696780     -1.083826
  H      -1.560867      0.856543      0.864475
  H      -2.006769      0.031064      3.148826
  H      -3.051932     -2.080270      5.716677
  H      -6.309848     -7.567925      6.126702
  H      -8.555339     -6.758755      6.767060
  H      -9.376435     -4.547048      5.965305
  H      -7.930919     -3.102822      4.563344
  H      -6.183217     -1.853625      4.225466
  H       0.550990     -6.458556      5.633118
  H       1.155381     -5.850515      7.937639
  H      -0.299407     -4.327221      9.276184
  H      -2.458087     -3.540625      8.349739
  H      -5.178962     -3.179061      6.173476
  N      -6.616205     -5.354812      1.619735
  H      -7.025510     -6.287546      1.679330
  H      -5.783716     -5.374681      1.042829
  H      -7.308708     -4.726052      1.215985
  N       0.048550     -3.801540      2.326476
  N       0.993407     -3.442059      1.884758
77
Coordinates from ORCA-job orca E -7409.231701148230
  N      -3.096165     -4.096578      1.710475
  C      -3.346377     -4.957539      0.556519
  C      -3.639192     -6.391432      0.988997
  N      -3.129282     -6.582216      2.366387
  C      -3.738234     -7.780848      3.020461
  C      -4.084608     -7.470608      4.474339
  N      -4.616486     -6.125202      4.456918
  Mo     -3.456420     -4.637857      3.666116
  N      -1.719915     -5.539483      4.372635
  C      -0.992078     -6.545670      3.610055
  C      -1.643195     -6.688219      2.258193
  H      -0.995864     -7.503517      4.161105
  H       0.064896     -6.263549      3.470413
  H      -1.376044     -7.645146      1.780134
  H      -1.312286     -5.872888      1.606727
  H      -4.824347     -8.198839      4.836070
  H      -3.203444     -7.534900      5.131180
  H      -4.670412     -8.004616      2.487363
  H      -3.068158     -8.648828      2.924587
  H      -2.441336     -4.948939     -0.073961
  H      -4.163006     -4.550759     -0.063123
  H      -3.105536     -7.079886      0.309893
  H      -4.698498     -6.655972      0.906981
  C      -2.592793     -2.859823      1.408975
  C      -2.313945     -2.375208      0.109194
  C      -1.908268     -1.063501     -0.064345
  C      -1.803221     -0.187842      1.036035
  C      -2.042733     -0.649842      2.315671
  C      -2.374287     -2.005292      2.525664
  N      -2.615186     -2.588183      3.754016
  C      -2.352386     -1.916682      4.898802
  C      -1.280431     -1.052225      5.290106
  O      -1.279757     -0.328565      6.265165
  Cl      0.298521     -1.230992      4.353840
  C      -5.830046     -5.796126      4.960313
  C      -6.659956     -6.602398      5.772886
  C      -7.916182     -6.143848      6.134393
  C      -8.374759     -4.887559      5.692050
  C      -7.566326     -4.070609      4.915069
  C      -6.269616     -4.493705      4.568940
  N      -5.372709     -3.785043      3.782516
  C      -5.717545     -2.496796      3.445232
  C      -5.613324     -2.012484      2.132582
  O      -5.375455     -2.548319      1.067017
  Cl     -6.028025     -0.170933      2.108659
  C      -1.333568     -5.364777      5.659673
  C      -0.129284     -5.854336      6.230305
  C       0.210141     -5.503865      7.522973
  C      -0.622631     -4.656469      8.290323
  C      -1.827793     -4.222530      7.780954
  C      -2.233409     -4.624740      6.488064
  N      -3.423073     -4.271703      5.903296
  C      -4.471383     -3.860320      6.626626
  C      -4.838602     -4.385296      7.922616
  O      -4.402263     -5.316128      8.554635
  Cl     -6.316165     -3.480746      8.544452
  H      -2.465121     -3.005879     -0.764035
  H      -1.717267     -0.691571     -1.072106
  H      -1.557798      0.862372      0.876705
  H      -2.005769      0.035519      3.160025
  H      -3.027386     -2.087985      5.732626
  H      -6.307649     -7.570450      6.128566
  H      -8.553124     -6.761027      6.769251
  H      -9.375272     -4.550511      5.965696
  H      -7.933275     -3.109574      4.557372
  H      -6.194061     -1.863452      4.193852
  H       0.555838     -6.454866      5.634266
  H       1.158489     -5.846519      7.939810
  H      -0.299681     -4.325961      9.277649
  H      -2.458895     -3.542398      8.350846
  H      -5.175775     -3.176723      6.167621
  N      -6.673300     -5.362193      1.613845
  H      -7.079290     -6.297556      1.657384
  H      -5.835243     -5.375186      1.043366
  H      -7.361768     -4.735738      1.198747
  N       0.078290     -3.799301      2.318600
  N       1.020592     -3.439109      1.872277
77
Coordinates from ORCA-job orca E -7409.233700897542
  N      -3.087348     -4.092925      1.717606
  C      -3.350671     -4.950031      0.563698
  C      -3.646297     -6.381389      0.997947
  N      -3.126924     -6.578160      2.370704
  C      -3.733939     -7.779808      3.022055
  C      -4.079939     -7.472303      4.476246
  N      -4.614954     -6.128281      4.457880
  Mo     -3.451326     -4.640643      3.670974
  N      -1.716078     -5.537718      4.373140
  C      -0.987875     -6.542830      3.608689
  C      -1.641282     -6.683536      2.257115
  H      -0.991427     -7.501141      4.158766
  H       0.068719     -6.259835      3.468861
  H      -1.374576     -7.639370      1.776704
  H      -1.312818     -5.866373      1.606682
  H      -4.816936     -8.202875      4.838855
  H      -3.197895     -7.533433      5.132253
  H      -4.666618     -8.002373      2.489353
  H      -3.063439     -8.646993      2.922744
  H      -2.454617     -4.938995     -0.079148
  H      -4.175694     -4.538657     -0.041214
  H      -3.129225     -7.078397      0.314763
  H      -4.709883     -6.632517      0.929310
  C      -2.582533     -2.857134      1.417920
  C      -2.302418     -2.370955      0.118595
  C      -1.898205     -1.058933     -0.053651
  C      -1.797081     -0.182814      1.047162
  C      -2.037867     -0.645618      2.325872
  C      -2.367366     -2.002069      2.535208
  N      -2.608778     -2.584364      3.763091
  C      -2.336680     -1.918613      4.907340
  C      -1.262182     -1.053500      5.293176
  O      -1.255596     -0.333223      6.270459
  Cl      0.309822     -1.227758      4.345493
  C      -5.829240     -5.800074      4.959628
  C      -6.657963     -6.605705      5.773985
  C      -7.913331     -6.146362      6.137202
  C      -8.372405     -4.890203      5.694666
  C      -7.565877     -4.074958      4.914224
  C      -6.270240     -4.499102      4.565402
  N      -5.375204     -3.795211      3.772660
  C      -5.723128     -2.511508      3.423372
  C      -5.617367     -2.035968      2.107643
  O      -5.373678     -2.578936      1.046748
  Cl     -6.034013     -0.196575      2.069023
  C      -1.330893     -5.363073      5.661204
  C      -0.126231     -5.850541      6.232031
  C       0.211579     -5.500211      7.525210
  C      -0.623778     -4.654876      8.291924
  C      -1.829411     -4.222716      7.781947
  C      -2.233578     -4.624908      6.488459
  N      -3.423593     -4.274881      5.902108
  C      -4.473423     -3.859610      6.622916
  C      -4.843554     -4.380808      7.918548
  O      -4.406730     -5.308262      8.555837
  Cl     -6.316243     -3.467310      8.540522
  H      -2.451812     -3.001083     -0.755305
  H      -1.705947     -0.686483     -1.060983
  H      -1.554416      0.868095      0.888283
  H      -2.004834      0.039607      3.170572
  H      -3.001866     -2.096607      5.747637
  H      -6.304783     -7.573185      6.130352
  H      -8.549158     -6.762515      6.774183
  H      -9.371925     -4.552311      5.970834
  H      -7.934087     -3.114819      4.555438
  H      -6.203708     -1.873554      4.165494
  H       0.560219     -6.449471      5.635847
  H       1.160092     -5.841298      7.942898
  H      -0.302615     -4.324657      9.279943
  H      -2.462156     -3.544613      8.352310
  H      -5.176303     -3.177307      6.159457
  N      -6.730027     -5.369374      1.606253
  H      -7.132663     -6.307100      1.633412
  H      -5.886498     -5.375686      1.042414
  H      -7.414165     -4.745215      1.179694
  N       0.107584     -3.798143      2.310044
  N       1.047387     -3.437395      1.858840
77
Coordinates from ORCA-job orca E -7409.235540140707
  N      -3.078638     -4.089940      1.724511
  C      -3.354772     -4.943557      0.570758
  C      -3.654042     -6.372369      1.007549
  N      -3.124895     -6.574489      2.375656
  C      -3.728951     -7.779313      3.024765
  C      -4.075655     -7.473787      4.478940
  N      -4.613797     -6.131203      4.459014
  Mo     -3.447063     -4.643117      3.675774
  N      -1.712582     -5.535193      4.374149
  C      -0.983889     -6.538958      3.607596
  C      -1.639721     -6.678658      2.256542
  H      -0.986303     -7.497606      4.156954
  H       0.072097     -6.254466      3.467014
  H      -1.373186     -7.633596      1.774340
  H      -1.313918     -5.859958      1.606726
  H      -4.810277     -8.206489      4.842101
  H      -3.193239     -7.531641      5.134803
  H      -4.661387     -8.002453      2.491919
  H      -3.056761     -8.644838      2.923238
  H      -2.467300     -4.931573     -0.083555
  H      -4.187368     -4.527484     -0.019823
  H      -3.153801     -7.078040      0.320687
  H      -4.721835     -6.609320      0.952599
  C      -2.573053     -2.854856      1.426518
  C      -2.292480     -2.367166      0.127474
  C      -1.890116     -1.054749     -0.043862
  C      -1.792352     -0.178025      1.057193
  C      -2.033690     -0.641559      2.335133
  C      -2.360756     -1.999039      2.544118
  N      -2.602818     -2.580266      3.771785
  C      -2.320635     -1.921247      4.915477
  C      -1.243265     -1.055367      5.295273
  O      -1.230456     -0.337922      6.274213
  Cl      0.321108     -1.225790      4.335385
  C      -5.829334     -5.804281      4.958091
  C      -6.657772     -6.609778      5.772818
  C      -7.913060     -6.150191      6.135746
  C      -8.372480     -4.894307      5.692450
  C      -7.566915     -4.080160      4.910106
  C      -6.271712     -4.504895      4.560610
  N      -5.377192     -3.804890      3.763807
  C      -5.726204     -2.524330      3.404739
  C      -5.613105     -2.055121      2.087467
  O      -5.362344     -2.603806      1.030896
  Cl     -6.040866     -0.219556      2.034653
  C      -1.327949     -5.360712      5.663103
  C      -0.122478     -5.845784      6.233396
  C       0.214296     -5.495814      7.527059
  C      -0.623570     -4.653032      8.293661
  C      -1.830003     -4.222739      7.783628
  C      -2.233153     -4.624585      6.489598
  N      -3.423682     -4.277097      5.902342
  C      -4.473582     -3.856736      6.622149
  C      -4.845241     -4.374139      7.917727
  O      -4.412055     -5.303039      8.556178
  Cl     -6.317380     -3.457103      8.537327
  H      -2.440381     -2.996950     -0.746915
  H      -1.697330     -0.681805     -1.050923
  H      -1.552797      0.873605      0.898442
  H      -2.004594      0.043604      3.180113
  H      -2.975652     -2.106594      5.762235
  H      -6.303937     -7.576662      6.130176
  H      -8.548567     -6.765713      6.773681
  H      -9.371584     -4.556005      5.969583
  H      -7.936142     -3.120873      4.550130
  H      -6.212423     -1.882933      4.140207
  H       0.565151     -6.442771      5.636530
  H       1.163229     -5.835212      7.945130
  H      -0.303987     -4.323433      9.282432
  H      -2.464471     -3.547169      8.355005
  H      -5.174198     -3.173855      6.156112
  N      -6.787425     -5.376788      1.599573
  H      -7.186657     -6.316631      1.610518
  H      -5.938571     -5.376788      1.042019
  H      -7.466955     -4.754808      1.161565
  N       0.136055     -3.797853      2.300051
  N       1.072900     -3.436720      1.843345
77
Coordinates from ORCA-job orca E -7409.237249740258
  N      -3.068141     -4.087675      1.728688
  C      -3.354555     -4.938299      0.575075
  C      -3.658964     -6.364830      1.015268
  N      -3.121419     -6.571321      2.379140
  C      -3.722057     -7.779544      3.026019
  C      -4.071341     -7.475348      4.479686
  N      -4.612723     -6.134186      4.457932
  Mo     -3.444012     -4.645263      3.678264
  N      -1.709866     -5.532043      4.375182
  C      -0.979890     -6.534227      3.606985
  C      -1.636666     -6.673654      2.256030
  H      -0.980911     -7.493113      4.155814
  H       0.075455     -6.247770      3.466249
  H      -1.369521     -7.627860      1.772798
  H      -1.312973     -5.853724      1.606781
  H      -4.803952     -8.210035      4.842896
  H      -3.189173     -7.529987      5.136221
  H      -4.653075     -8.005246      2.491820
  H      -3.046712     -8.642439      2.923976
  H      -2.474425     -4.931045     -0.088848
  H      -4.192734     -4.517509     -0.003643
  H      -3.174011     -7.078138      0.325306
  H      -4.730172     -6.588240      0.973621
  C      -2.562274     -2.853297      1.432570
  C      -2.279970     -2.364791      0.133818
  C      -1.879732     -1.051977     -0.036947
  C      -1.786474     -0.174077      1.063975
  C      -2.029295     -0.637813      2.341169
  C      -2.353979     -1.996237      2.550155
  N      -2.597958     -2.575711      3.777931
  C      -2.305694     -1.923610      4.921030
  C      -1.225896     -1.056388      5.294784
  O      -1.207430     -0.341292      6.274944
  Cl      0.331581     -1.224281      4.324328
  C      -5.828798     -5.808528      4.956407
  C      -6.656185     -6.614055      5.772051
  C      -7.910448     -6.153517      6.137320
  C      -8.369946     -4.897107      5.695496
  C      -7.565857     -4.083796      4.910876
  C      -6.272136     -4.509986      4.558193
  N      -5.379298     -3.813819      3.756047
  C      -5.730182     -2.535000      3.392145
  C      -5.619925     -2.069580      2.073472
  O      -5.368006     -2.620805      1.018388
  Cl     -6.043466     -0.233634      2.016048
  C      -1.326540     -5.357817      5.665241
  C      -0.120593     -5.840350      6.235813
  C       0.214011     -5.491110      7.530373
  C      -0.627222     -4.651465      8.296569
  C      -1.834092     -4.222994      7.785656
  C      -2.234974     -4.623830      6.490500
  N      -3.425721     -4.279114      5.901662
  C      -4.477249     -3.856025      6.619452
  C      -4.851389     -4.371778      7.913765
  O      -4.416919     -5.297999      8.556032
  Cl     -6.320431     -3.449213      8.534305
  H      -2.425250     -2.994903     -0.740770
  H      -1.685686     -0.678959     -1.043756
  H      -1.550033      0.878210      0.904992
  H      -2.004814      0.047592      3.186202
  H      -2.951012     -2.116192      5.773611
  H      -6.301862     -7.580904      6.129017
  H      -8.545078     -6.768612      6.776576
  H      -9.367977     -4.557946      5.975404
  H      -7.935874     -3.124664      4.551299
  H      -6.217323     -1.891882      4.125419
  H       0.568791     -6.435094      5.638654
  H       1.163091     -5.828766      7.949474
  H      -0.310200     -4.322973      9.286567
  H      -2.471000     -3.550492      8.357901
  H      -5.176648     -3.173871      6.150204
  N      -6.845022     -5.382942      1.592700
  H      -7.240931     -6.324543      1.587228
  H      -5.990606     -5.377385      1.041412
  H      -7.519576     -4.762519      1.143873
  N       0.163581     -3.800006      2.289434
  N       1.097838     -3.439136      1.827257
77
Coordinates from ORCA-job orca E -7409.238795946817
  N      -3.059923     -4.086021      1.733119
  C      -3.355615     -4.934113      0.580103
  C      -3.665359     -6.358166      1.024598
  N      -3.118483     -6.568483      2.383994
  C      -3.714835     -7.780236      3.029304
  C      -4.067849     -7.477019      4.482129
  N      -4.612406     -6.137291      4.457919
  Mo     -3.442127     -4.647613      3.681786
  N      -1.707400     -5.528918      4.377153
  C      -0.976099     -6.529162      3.606998
  C      -1.634184     -6.668625      2.256424
  H      -0.974856     -7.488257      4.155352
  H       0.078412     -6.240231      3.465603
  H      -1.366407     -7.622152      1.772277
  H      -1.312821     -5.847633      1.607479
  H      -4.798969     -8.213462      4.844738
  H      -3.186565     -7.528540      5.140178
  H      -4.643767     -8.009910      2.493249
  H      -3.035365     -8.639804      2.927763
  H      -2.482598     -4.933237     -0.092945
  H      -4.198798     -4.509306      0.012115
  H      -3.195490     -7.078315      0.331374
  H      -4.739591     -6.568133      0.997168
  C      -2.555828     -2.851626      1.438491
  C      -2.273934     -2.362080      0.139676
  C      -1.877177     -1.048448     -0.030951
  C      -1.787355     -0.169504      1.069799
  C      -2.029507     -0.633778      2.346602
  C      -2.350463     -1.993317      2.555835
  N      -2.594671     -2.571275      3.783948
  C      -2.291189     -1.926567      4.926165
  C      -1.209207     -1.057193      5.292686
  O      -1.184755     -0.343912      6.273576
  Cl      0.340628     -1.222523      4.310688
  C      -5.830212     -5.813511      4.953754
  C      -6.658245     -6.619766      5.767862
  C      -7.913018     -6.159338      6.131654
  C      -8.372499     -4.902896      5.689887
  C      -7.568239     -4.089495      4.905602
  C      -6.274558     -4.516051      4.553689
  N      -5.380430     -3.822165      3.750691
  C      -5.728570     -2.543710      3.382389
  C      -5.599259     -2.078342      2.065642
  O      -5.327827     -2.629227      1.015130
  Cl     -6.025997     -0.243661      2.000461
  C      -1.324283     -5.354847      5.667801
  C      -0.117205     -5.834618      6.237469
  C       0.216679     -5.485684      7.532401
  C      -0.626893     -4.648688      8.298698
  C      -1.834670     -4.222085      7.788019
  C      -2.234948     -4.622694      6.492506
  N      -3.426281     -4.280411      5.903188
  C      -4.478319     -3.853578      6.619947
  C      -4.855499     -4.368210      7.912660
  O      -4.425801     -5.297194      8.554832
  Cl     -6.325445     -3.443889      8.530441
  H      -2.416825     -2.992915     -0.734798
  H      -1.683553     -0.675072     -1.037719
  H      -1.555011      0.883598      0.910325
  H      -2.009110      0.051781      3.191734
  H      -2.925884     -2.127023      5.784935
  H      -6.303944     -7.586443      6.125275
  H      -8.548178     -6.774657      6.770189
  H      -9.370612     -4.563844      5.969552
  H      -7.938610     -3.130656      4.545716
  H      -6.223293     -1.899740      4.109803
  H       0.573320     -6.427236      5.639458
  H       1.166373     -5.821463      7.951549
  H      -0.311314     -4.320859      9.289401
  H      -2.473135     -3.552168      8.361413
  H      -5.175232     -3.170190      6.148721
  N      -6.903552     -5.389681      1.591162
  H      -7.295980     -6.332828      1.569604
  H      -6.044605     -5.378734      1.045504
  H      -7.573315     -4.770457      1.132720
  N       0.188751     -3.802807      2.276316
  N       1.119869     -3.442175      1.807545
77
Coordinates from ORCA-job orca E -7409.240186646189
  N      -3.047649     -4.084230      1.735472
  C      -3.350357     -4.929713      0.582879
  C      -3.668265     -6.350718      1.031287
  N      -3.113922     -6.565046      2.386842
  C      -3.706720     -7.780307      3.029815
  C      -4.064516     -7.478056      4.481382
  N      -4.611785     -6.139631      4.454928
  Mo     -3.440254     -4.649021      3.683016
  N      -1.705320     -5.525264      4.378731
  C      -0.971944     -6.523629      3.607410
  C      -1.629938     -6.663271      2.256506
  H      -0.968918     -7.482889      4.155372
  H       0.081896     -6.232273      3.466433
  H      -1.361212     -7.616275      1.771911
  H      -1.309928     -5.841466      1.608065
  H      -4.794652     -8.215976      4.842927
  H      -3.184462     -7.526906      5.141357
  H      -4.632813     -8.014267      2.490800
  H      -3.022730     -8.636303      2.929739
  H      -2.482589     -4.936052     -0.096692
  H      -4.196236     -4.500198      0.022926
  H      -3.212956     -7.077646      0.335482
  H      -4.745460     -6.546048      1.016681
  C      -2.542906     -2.850475      1.442943
  C      -2.256585     -2.361164      0.144612
  C      -1.861502     -1.047269     -0.025390
  C      -1.777554     -0.166613      1.074956
  C      -2.022745     -0.630459      2.350979
  C      -2.342032     -1.990630      2.560125
  N      -2.589757     -2.566473      3.788148
  C      -2.275778     -1.929800      4.929698
  C      -1.191644     -1.058595      5.289897
  O      -1.161964     -0.346753      6.271171
  Cl      0.351490     -1.223082      4.298411
  C      -5.829778     -5.817410      4.951564
  C      -6.656752     -6.624307      5.765894
  C      -7.910212     -6.162759      6.132987
  C      -8.369491     -4.905218      5.694316
  C      -7.566523     -4.091919      4.908657
  C      -6.274564     -4.520054      4.553008
  N      -5.382191     -3.829307      3.745063
  C      -5.732194     -2.551135      3.376006
  C      -5.621552     -2.091026      2.056045
  O      -5.377964     -2.648797      1.002381
  Cl     -6.062403     -0.260072      1.987955
  C      -1.323626     -5.351801      5.670348
  C      -0.116300     -5.829564      6.240377
  C       0.215246     -5.482081      7.536441
  C      -0.631585     -4.648404      8.302508
  C      -1.839419     -4.222804      7.790691
  C      -2.237023     -4.621480      6.493692
  N      -3.427862     -4.280819      5.902856
  C      -4.480552     -3.850605      6.618577
  C      -4.859312     -4.363765      7.910081
  O      -4.432154     -5.293873      8.553017
  Cl     -6.330016     -3.437880      8.526390
  H      -2.395129     -2.993250     -0.729658
  H      -1.665052     -0.674270     -1.031766
  H      -1.547790      0.886956      0.915000
  H      -2.007545      0.055558      3.195971
  H      -2.900880     -2.137867      5.793752
  H      -6.302515     -7.591573      6.121733
  H      -8.544548     -6.778236      6.772217
  H      -9.366413     -4.565387      5.977197
  H      -7.937270     -3.132665      4.550328
  H      -6.221374     -1.905795      4.105883
  H       0.575915     -6.419994      5.642098
  H       1.164826     -5.816758      7.956670
  H      -0.318958     -4.322559      9.294830
  H      -2.480504     -3.556290      8.365121
  H      -5.175200     -3.166005      6.145734
  N      -6.957872     -5.393091      1.583763
  H      -7.347352     -6.337215      1.545600
  H      -6.093957     -5.377567      1.044658
  H      -7.621838     -4.774227      1.115599
  N       0.216459     -3.808134      2.264801
  N       1.145017     -3.448534      1.790324
77
Coordinates from ORCA-job orca E -7409.241485094430
  N      -3.039864     -4.083673      1.738443
  C      -3.348437     -4.927721      0.586769
  C      -3.673206     -6.345534      1.039532
  N      -3.110229     -6.562783      2.390991
  C      -3.698495     -7.781601      3.032467
  C      -4.062362     -7.480082      4.482410
  N      -4.612481     -6.143030      4.452930
  Mo     -3.439889     -4.651571      3.685315
  N      -1.703741     -5.521349      4.380382
  C      -0.967707     -6.517342      3.607732
  C      -1.626538     -6.658160      2.256928
  H      -0.961509     -7.476641      4.155522
  H       0.085057     -6.222548      3.466394
  H      -1.356612     -7.610645      1.772049
  H      -1.308867     -5.835620      1.608412
  H      -4.791897     -8.219464      4.842124
  H      -3.184295     -7.526122      5.145306
  H      -4.621219     -8.021052      2.490141
  H      -3.009089     -8.633381      2.934798
  H      -2.485029     -4.939090     -0.098147
  H      -4.196886     -4.495279      0.033249
  H      -3.232395     -7.079042      0.341307
  H      -4.753257     -6.527083      1.038011
  C      -2.537592     -2.849387      1.447194
  C      -2.250536     -2.359603      0.148816
  C      -1.859403     -1.044753     -0.021175
  C      -1.779980     -0.162623      1.078713
  C      -2.024890     -0.626616      2.354459
  C      -2.340044     -1.987900      2.563982
  N      -2.588030     -2.562323      3.792143
  C      -2.262610     -1.933211      4.932498
  C      -1.177155     -1.058390      5.284574
  O      -1.142245     -0.347206      6.265650
  Cl      0.358593     -1.221158      4.282592
  C      -5.831828     -5.822562      4.947982
  C      -6.659330     -6.630190      5.760812
  C      -7.912588     -6.167997      6.127951
  C      -8.371289     -4.909656      5.690869
  C      -7.568180     -4.096218      4.905647
  C      -6.277018     -4.525605      4.549221
  N      -5.383948     -3.836975      3.740345
  C      -5.730755     -2.557850      3.371006
  C      -5.609854     -2.096218      2.052542
  O      -5.346240     -2.650487      1.001681
  Cl     -6.023948     -0.259340      1.986165
  C      -1.322776     -5.347696      5.672648
  C      -0.114489     -5.822244      6.242662
  C       0.214691     -5.476078      7.539827
  C      -0.636059     -4.646808      8.306115
  C      -1.844491     -4.223342      7.793511
  C      -2.239228     -4.620150      6.494954
  N      -3.430079     -4.282541      5.902783
  C      -4.484462     -3.851966      6.617684
  C      -4.862728     -4.364843      7.908203
  O      -4.428908     -5.288657      8.556359
  Cl     -6.324967     -3.429317      8.533180
  H      -2.385363     -2.993111     -0.725010
  H      -1.662804     -0.671644     -1.027499
  H      -1.554606      0.891756      0.917973
  H      -2.014231      0.059824      3.199295
  H      -2.876461     -2.149224      5.802624
  H      -6.305671     -7.597779      6.116318
  H      -8.547320     -6.783735      6.766566
  H      -9.367828     -4.569457      5.974602
  H      -7.938581     -3.136529      4.548078
  H      -6.221664     -1.912121      4.099298
  H       0.579829     -6.409845      5.643992
  H       1.164613     -5.808803      7.960799
  H      -0.326484     -4.322882      9.300051
  H      -2.488754     -3.560973      8.369218
  H      -5.178816     -3.167809      6.143499
  N      -7.013853     -5.401803      1.579938
  H      -7.399572     -6.346998      1.525749
  H      -6.145536     -5.381073      1.046811
  H      -7.672618     -4.783479      1.102950
  N       0.241093     -3.811707      2.249534
  N       1.166028     -3.452363      1.768078
77
Coordinates from ORCA-job orca E -7409.242635843783
  N      -3.031839     -4.083169      1.742236
  C      -3.344877     -4.926255      0.591313
  C      -3.677430     -6.340568      1.048339
  N      -3.106043     -6.560815      2.395809
  C      -3.690343     -7.782855      3.035830
  C      -4.060992     -7.481665      4.483894
  N      -4.613236     -6.145608      4.451269
  Mo     -3.438823     -4.653978      3.688616
  N      -1.701599     -5.517872      4.382560
  C      -0.963056     -6.511705      3.608724
  C      -1.622733     -6.653965      2.258082
  H      -0.953717     -7.470893      4.156552
  H       0.088631     -6.213618      3.466900
  H      -1.352056     -7.606214      1.773263
  H      -1.306980     -5.831132      1.609199
  H      -4.790615     -8.222049      4.841300
  H      -3.185328     -7.525407      5.150229
  H      -4.609349     -8.027845      2.489683
  H      -2.995525     -8.630444      2.941378
  H      -2.484154     -4.942188     -0.096861
  H      -4.194349     -4.491000      0.041676
  H      -3.251415     -7.080592      0.347848
  H      -4.759803     -6.508329      1.059562
  C      -2.532006     -2.848346      1.452065
  C      -2.244112     -2.358346      0.153588
  C      -1.856530     -1.042693     -0.016489
  C      -1.781230     -0.159090      1.082831
  C      -2.025717     -0.623057      2.358395
  C      -2.337000     -1.985321      2.568397
  N      -2.584719     -2.558611      3.796707
  C      -2.247211     -1.937611      4.935804
  C      -1.160408     -1.058944      5.279282
  O      -1.120189     -0.348101      6.259838
  Cl      0.367851     -1.220820      4.267051
  C      -5.833504     -5.826005      4.945419
  C      -6.661756     -6.633678      5.757224
  C      -7.913978     -6.169511      6.125717
  C      -8.371139     -4.909786      5.690911
  C      -7.567706     -4.096905      4.905561
  C      -6.278055     -4.528807      4.547184
  N      -5.384001     -3.842635      3.737632
  C      -5.725407     -2.561479      3.369096
  C      -5.596300     -2.098836      2.051882
  O      -5.330705     -2.653828      1.001735
  Cl     -6.012413     -0.263033      1.983332
  C      -1.320600     -5.343698      5.675246
  C      -0.110839     -5.814803      6.244389
  C       0.217781     -5.468174      7.541648
  C      -0.635185     -4.641103      8.307581
  C      -1.844713     -4.220100      7.795123
  C      -2.239276     -4.618121      6.496684
  N      -3.430819     -4.284015      5.903209
  C      -4.488516     -3.853258      6.615766
  C      -4.874925     -4.370995      7.900663
  O      -4.452406     -5.303679      8.544189
  Cl     -6.350489     -3.445819      8.513268
  H      -2.375607     -2.993257     -0.719730
  H      -1.659893     -0.669560     -1.022810
  H      -1.560065      0.896013      0.921182
  H      -2.019236      0.063898      3.202956
  H      -2.849217     -2.161721      5.812137
  H      -6.309505     -7.602048      6.111966
  H      -8.549201     -6.784979      6.764130
  H      -9.366720     -4.568285      5.976406
  H      -7.936799     -3.136206      4.549313
  H      -6.216340     -1.914953      4.096689
  H       0.584831     -6.400348      5.645233
  H       1.168539     -5.798533      7.962540
  H      -0.326906     -4.317059      9.301904
  H      -2.490173     -3.559639      8.371320
  H      -5.180506     -3.168473      6.138804
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  H      -7.450483     -6.355728      1.507944
  H      -6.195859     -5.384245      1.050611
  H      -7.721754     -4.791361      1.093144
  N       0.266967     -3.816793      2.233241
  N       1.188195     -3.457958      1.744241
77
Coordinates from ORCA-job orca E -7409.243668717677
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  C      -3.340027     -4.925475      0.595597
  C      -3.680888     -6.336093      1.056716
  N      -3.101681     -6.559282      2.400457
  C      -3.681767     -7.784625      3.038890
  C      -4.060978     -7.483516      4.484552
  N      -4.615775     -6.148618      4.448039
  Mo     -3.439050     -4.656404      3.692090
  N      -1.700264     -5.514281      4.384763
  C      -0.958714     -6.505618      3.609889
  C      -1.618807     -6.649817      2.259404
  H      -0.945931     -7.464642      4.157854
  H       0.091795     -6.203803      3.467748
  H      -1.347082     -7.601918      1.774983
  H      -1.304945     -5.826861      1.609982
  H      -4.791109     -8.225030      4.838545
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  H      -4.596212     -8.036110      2.488030
  H      -2.980813     -8.627478      2.948957
  H      -2.480046     -4.945658     -0.093454
  H      -4.188889     -4.487677      0.047129
  H      -3.269424     -7.082329      0.354100
  H      -4.765004     -6.490527      1.080070
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  C      -2.237864     -2.357417      0.158541
  C      -1.853872     -1.040938     -0.011560
  C      -1.783329     -0.155776      1.087112
  C      -2.027976     -0.619593      2.362457
  C      -2.335378     -1.982783      2.572867
  N      -2.582913     -2.555235      3.801269
  C      -2.233998     -1.942621      4.939239
  C      -1.146276     -1.059705      5.274435
  O      -1.101743     -0.348231      6.253766
  Cl      0.374827     -1.220769      4.252659
  C      -5.838658     -5.831556      4.937872
  C      -6.669750     -6.641445      5.744328
  C      -7.923499     -6.178115      6.108733
  C      -8.379590     -4.917588      5.675023
  C      -7.573605     -4.102831      4.894444
  C      -6.282869     -4.534367      4.539829
  N      -5.385728     -3.848057      3.734334
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  C      -5.589654     -2.100626      2.051596
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  Cl     -6.010242     -0.266469      1.982394
  C      -1.318643     -5.340296      5.677872
  C      -0.107686     -5.808695      6.246003
  C       0.219416     -5.464325      7.544491
  C      -0.636919     -4.642279      8.311723
  C      -1.847022     -4.222429      7.799061
  C      -2.238927     -4.617166      6.498844
  N      -3.430018     -4.283919      5.904603
  C      -4.485220     -3.848293      6.620098
  C      -4.865307     -4.361776      7.907150
  O      -4.435963     -5.288552      8.555243
  Cl     -6.320660     -3.415118      8.539143
  H      -2.365613     -2.993770     -0.714291
  H      -1.656713     -0.667870     -1.017826
  H      -1.566297      0.900022      0.924563
  H      -2.025922      0.067956      3.206676
  H      -2.824392     -2.175014      5.821389
  H      -6.318889     -7.610419      6.098754
  H      -8.560961     -6.795091      6.743454
  H      -9.376167     -4.576969      5.958011
  H      -7.941345     -3.141401      4.538753
  H      -6.212285     -1.917901      4.096052
  H       0.589587     -6.391410      5.645905
  H       1.170539     -5.793505      7.965429
  H      -0.331435     -4.321451      9.307979
  H      -2.495827     -3.566834      8.377342
  H      -5.174347     -3.158692      6.146315
  N      -7.121173     -5.418856      1.576302
  H      -7.499671     -6.365157      1.490785
  H      -6.244716     -5.388344      1.054528
  H      -7.769420     -4.799740      1.084612
  N       0.292071     -3.821725      2.216964
  N       1.209338     -3.463141      1.720465
77
Coordinates from ORCA-job orca E -7409.244621795770
  N      -3.017401     -4.082648      1.749040
  C      -3.333175     -4.925274      0.598634
  C      -3.682756     -6.331834      1.063687
  N      -3.096472     -6.558259      2.403979
  C      -3.673371     -7.786534      3.040668
  C      -4.061511     -7.485051      4.483707
  N      -4.618143     -6.150953      4.443645
  Mo     -3.438843     -4.659035      3.694626
  N      -1.698683     -5.510152      4.386293
  C      -0.953768     -6.499371      3.611196
  C      -1.613877     -6.646504      2.260663
  H      -0.937565     -7.457854      4.159952
  H       0.095546     -6.193750      3.468856
  H      -1.340996     -7.598819      1.777415
  H      -1.301389     -5.824006      1.610208
  H      -4.792346     -8.227337      4.834575
  H      -3.192532     -7.523754      5.159209
  H      -4.582922     -8.044565      2.484694
  H      -2.966431     -8.624757      2.956174
  H      -2.472076     -4.949847     -0.088982
  H      -4.179881     -4.485299      0.048713
  H      -3.285804     -7.084077      0.359092
  H      -4.768310     -6.473247      1.098522
  C      -2.522545     -2.846749      1.460666
  C      -2.231014     -2.356957      0.162169
  C      -1.850252     -1.039802     -0.008071
  C      -1.784439     -0.152900      1.089832
  C      -2.029555     -0.616302      2.364979
  C      -2.333469     -1.980294      2.575883
  N      -2.580326     -2.551931      3.804459
  C      -2.219807     -1.947013      4.940570
  C      -1.131613     -1.058720      5.266124
  O      -1.082973     -0.345622      6.243411
  Cl      0.382617     -1.220945      4.235891
  C      -5.840908     -5.833852      4.934623
  C      -6.672442     -6.643334      5.740771
  C      -7.923665     -6.176433      6.109608
  C      -8.377080     -4.913299      5.680485
  C      -7.570995     -4.099553      4.899130
  C      -6.283119     -4.535256      4.539623
  N      -5.386479     -3.852289      3.731715
  C      -5.718211     -2.566318      3.367811
  C      -5.592251     -2.103436      2.050590
  O      -5.333678     -2.660664      0.999548
  Cl     -5.981500     -0.262904      1.986040
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  C      -0.104760     -5.798405      6.248330
  C       0.219622     -5.454529      7.547891
  C      -0.641460     -4.637668      8.314980
  C      -1.852615     -4.221260      7.801280
  C      -2.240967     -4.614904      6.499673
  N      -3.432352     -4.286142      5.903021
  C      -4.491949     -3.854393      6.617281
  C      -4.874880     -4.374482      7.899210
  O      -4.447343     -5.304650      8.544245
  Cl     -6.343969     -3.441871      8.524990
  H      -2.355068     -2.994726     -0.710157
  H      -1.652287     -0.667026     -1.014306
  H      -1.571183      0.903487      0.926271
  H      -2.031575      0.071923      3.208800
  H      -2.797941     -2.186919      5.828733
  H      -6.323805     -7.613924      6.092927
  H      -8.561310     -6.792802      6.744757
  H      -9.371719     -4.570299      5.967371
  H      -7.936340     -3.136205      4.546042
  H      -6.200081     -1.917598      4.099552
  H       0.595309     -6.377881      5.648324
  H       1.171359     -5.780747      7.969692
  H      -0.339540     -4.318425      9.312861
  H      -2.505356     -3.570357      8.380429
  H      -5.181886     -3.166192      6.142225
  N      -7.171380     -5.428446      1.573561
  H      -7.546281     -6.374899      1.472780
  H      -6.291151     -5.393005      1.057366
  H      -7.814589     -4.808155      1.076116
  N       0.318071     -3.826993      2.198568
  N       1.231056     -3.468713      1.694171
77
Coordinates from ORCA-job orca E -7409.245477414080
  N      -3.011936     -4.082056      1.753982
  C      -3.327144     -4.924851      0.603359
  C      -3.685482     -6.327046      1.072187
  N      -3.091683     -6.557587      2.408626
  C      -3.665573     -7.788614      3.043617
  C      -4.063496     -7.486693      4.483799
  N      -4.621673     -6.153295      4.439774
  Mo     -3.438438     -4.662185      3.699313
  N      -1.696822     -5.507001      4.388544
  C      -0.948884     -6.493927      3.612791
  C      -1.609530     -6.643879      2.262545
  H      -0.929015     -7.451891      4.162286
  H       0.099154     -6.184455      3.469794
  H      -1.335860     -7.596483      1.780415
  H      -1.298478     -5.821985      1.610825
  H      -4.795471     -8.229630      4.830875
  H      -3.198374     -7.523040      5.164410
  H      -4.569798     -8.053588      2.482184
  H      -2.952546     -8.622082      2.965369
  H      -2.463718     -4.954245     -0.081298
  H      -4.170667     -4.482965      0.050229
  H      -3.303829     -7.084961      0.365169
  H      -4.772245     -6.455480      1.118827
  C      -2.520202     -2.845435      1.466423
  C      -2.228132     -2.355097      0.167868
  C      -1.850765     -1.037127     -0.002228
  C      -1.788384     -0.149167      1.095278
  C      -2.032856     -0.612858      2.370222
  C      -2.332949     -1.977716      2.581203
  N      -2.577477     -2.549409      3.809962
  C      -2.205305     -1.952555      4.944257
  C      -1.116793     -1.058616      5.260063
  O      -1.064473     -0.343136      6.234733
  Cl      0.390526     -1.222438      4.221582
  C      -5.845391     -5.836405      4.929373
  C      -6.679536     -6.646318      5.732137
  C      -7.930057     -6.177171      6.100694
  C      -8.380496     -4.911908      5.674382
  C      -7.572200     -4.098179      4.895527
  C      -6.285286     -4.536608      4.536006
  N      -5.386198     -3.855659      3.730279
  C      -5.710303     -2.567475      3.365847
  C      -5.580398     -2.108337      2.047747
  O      -5.327626     -2.671731      0.998289
  Cl     -5.969490     -0.268774      1.975675
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  C      -0.099436     -5.789117      6.249354
  C       0.224104     -5.445260      7.549407
  C      -0.640248     -4.632761      8.316912
  C      -1.853039     -4.219699      7.803563
  C      -2.240241     -4.613660      6.501720
  N      -3.432551     -4.288708      5.903479
  C      -4.495082     -3.858464      6.617527
  C      -4.882734     -4.385909      7.893543
  O      -4.456615     -5.318152      8.537170
  Cl     -6.349406     -3.449781      8.524607
  H      -2.349377     -2.993659     -0.704276
  H      -1.653014     -0.664126     -1.008438
  H      -1.578956      0.907863      0.931096
  H      -2.038228      0.075610      3.213947
  H      -2.770755     -2.200394      5.838397
  H      -6.333676     -7.618443      6.082770
  H      -8.569693     -6.793619      6.733776
  H      -9.374581     -4.567572      5.961576
  H      -7.934504     -3.133042      4.544066
  H      -6.188104     -1.915124      4.097130
  H       0.602644     -6.365464      5.648630
  H       1.177086     -5.768277      7.970801
  H      -0.340242     -4.314317      9.315658
  H      -2.508197     -3.572397      8.383768
  H      -5.182955     -3.167775      6.142977
  N      -7.220403     -5.436459      1.576303
  H      -7.592437     -6.382560      1.460696
  H      -6.337033     -5.396235      1.064785
  H      -7.859030     -4.813947      1.075197
  N       0.343899     -3.832424      2.179334
  N       1.252093     -3.474137      1.666418
77
Coordinates from ORCA-job orca E -7409.246257753872
  N      -3.007404     -4.082017      1.758426
  C      -3.319498     -4.926087      0.607588
  C      -3.687136     -6.323403      1.080576
  N      -3.086637     -6.557767      2.413367
  C      -3.657547     -7.791171      3.046967
  C      -4.066276     -7.488066      4.483748
  N      -4.626202     -6.155451      4.434768
  Mo     -3.438415     -4.665411      3.703868
  N      -1.695113     -5.503653      4.390604
  C      -0.943968     -6.488422      3.614743
  C      -1.604974     -6.641956      2.264920
  H      -0.920263     -7.445572      4.165467
  H       0.102717     -6.174921      3.470975
  H      -1.330252     -7.595042      1.784435
  H      -1.295410     -5.821002      1.611490
  H      -4.799421     -8.231658      4.826928
  H      -3.205460     -7.521394      5.170002
  H      -4.555745     -8.063995      2.479608
  H      -2.938139     -8.619637      2.976356
  H      -2.451838     -4.961065     -0.071687
  H      -4.158098     -4.483132      0.048329
  H      -3.320334     -7.086850      0.371606
  H      -4.774748     -6.439491      1.138419
  C      -2.518909     -2.844689      1.471300
  C      -2.226205     -2.354059      0.172638
  C      -1.852278     -1.035281      0.002375
  C      -1.793446     -0.145985      1.099244
  C      -2.037561     -0.609638      2.374077
  C      -2.333892     -1.975274      2.585419
  N      -2.575564     -2.547042      3.814628
  C      -2.192994     -1.957763      4.947084
  C      -1.104591     -1.057816      5.253578
  O      -1.049856     -0.338674      6.224696
  Cl      0.396544     -1.224151      4.208266
  C      -5.851231     -5.839127      4.922003
  C      -6.688737     -6.650022      5.720018
  C      -7.938999     -6.179045      6.087177
  C      -8.386060     -4.911374      5.664077
  C      -7.574771     -4.097030      4.889284
  C      -6.288467     -4.537942      4.530609
  N      -5.386550     -3.858448      3.728332
  C      -5.703556     -2.567540      3.365372
  C      -5.577394     -2.111153      2.045991
  O      -5.330866     -2.678447      0.996912
  Cl     -5.947577     -0.268578      1.972895
  C      -1.310246     -5.325516      5.685003
  C      -0.093676     -5.778985      6.250047
  C       0.228204     -5.436605      7.551341
  C      -0.640669     -4.630921      8.320224
  C      -1.854946     -4.220921      7.806855
  C      -2.238913     -4.612287      6.503529
  N      -3.431433     -4.289888      5.903864
  C      -4.493700     -3.858986      6.620869
  C      -4.878298     -4.390159      7.894675
  O      -4.453724     -5.326946      8.533246
  Cl     -6.347145     -3.457677      8.530903
  H      -2.344524     -2.993525     -0.699253
  H      -1.654603     -0.662352     -1.003890
  H      -1.587629      0.911602      0.934241
  H      -2.046194      0.079262      3.217546
  H      -2.746367     -2.213459      5.846676
  H      -6.345842     -7.623809      6.068901
  H      -8.581198     -6.795927      6.717226
  H      -9.379833     -4.565909      5.950959
  H      -7.933509     -3.129734      4.539932
  H      -6.173371     -1.911883      4.098936
  H       0.610820     -6.351490      5.648429
  H       1.182218     -5.756732      7.972538
  H      -0.343904     -4.315502      9.320929
  H      -2.514453     -3.579767      8.389198
  H      -5.179677     -3.163838      6.150230
  N      -7.267003     -5.444566      1.579814
  H      -7.636725     -6.389951      1.450356
  H      -6.380669     -5.399999      1.072866
  H      -7.901402     -4.819186      1.076497
  N       0.369214     -3.837590      2.159423
  N       1.272404     -3.478988      1.637933
77
Coordinates from ORCA-job orca E -7409.246975125103
  N      -3.003381     -4.081802      1.762425
  C      -3.310204     -4.927488      0.611113
  C      -3.687912     -6.319831      1.087932
  N      -3.081350     -6.558500      2.417318
  C      -3.650012     -7.794002      3.049217
  C      -4.070374     -7.489571      4.482280
  N      -4.631295     -6.157339      4.428473
  Mo     -3.438032     -4.669157      3.707961
  N      -1.693417     -5.500696      4.392534
  C      -0.938935     -6.483448      3.616925
  C      -1.600007     -6.640750      2.267380
  H      -0.911415     -7.439665      4.169072
  H       0.106376     -6.165856      3.472466
  H      -1.324026     -7.594349      1.788707
  H      -1.291576     -5.820854      1.612285
  H      -4.804969     -8.233569      4.821409
  H      -3.214112     -7.520160      5.174353
  H      -4.541534     -8.074873      2.475254
  H      -2.924358     -8.617511      2.987130
  H      -2.436817     -4.968562     -0.060730
  H      -4.142503     -4.483802      0.043446
  H      -3.335512     -7.088375      0.377083
  H      -4.776298     -6.423757      1.156158
  C      -2.518114     -2.843728      1.476018
  C      -2.224994     -2.352503      0.177372
  C      -1.854060     -1.032985      0.007221
  C      -1.797985     -0.142761      1.103713
  C      -2.041713     -0.606703      2.378350
  C      -2.334888     -1.972983      2.589606
  N      -2.573249     -2.545118      3.819167
  C      -2.181117     -1.962560      4.949480
  C      -1.093222     -1.056076      5.246310
  O      -1.036327     -0.332960      6.213588
  Cl      0.402581     -1.227337      4.195947
  C      -5.856209     -5.839843      4.916110
  C      -6.696514     -6.650339      5.711345
  C      -7.944487     -6.175052      6.080811
  C      -8.386706     -4.903851      5.662695
  C      -7.573080     -4.090358      4.889769
  C      -6.289306     -4.536264      4.528128
  N      -5.385622     -3.860364      3.726420
  C      -5.694094     -2.566823      3.363473
  C      -5.570665     -2.115354      2.042241
  O      -5.333788     -2.689069      0.994153
  Cl     -5.932692     -0.272115      1.963219
  C      -1.306876     -5.319964      5.687262
  C      -0.087964     -5.766782      6.251110
  C       0.231772     -5.424698      7.553473
  C      -0.642304     -4.625949      8.322920
  C      -1.858533     -4.220608      7.809235
  C      -2.239078     -4.610939      6.504808
  N      -3.432579     -4.293696      5.902865
  C      -4.498989     -3.868787      6.620590
  C      -4.885106     -4.411395      7.887613
  O      -4.455345     -5.347887      8.523707
  Cl     -6.353683     -3.481934      8.533458
  H      -2.340780     -2.992557     -0.694456
  H      -1.656645     -0.659913     -0.999054
  H      -1.595190      0.915308      0.938221
  H      -2.052981      0.082292      3.221847
  H      -2.722679     -2.225456      5.854165
  H      -6.357471     -7.626499      6.057317
  H      -8.588807     -6.791251      6.709373
  H      -9.378723     -4.555423      5.952086
  H      -7.927293     -3.120170      4.543658
  H      -6.155024     -1.906334      4.098451
  H       0.619619     -6.335053      5.649058
  H       1.187160     -5.740552      7.974730
  H      -0.348999     -4.312323      9.325243
  H      -2.522395     -3.585288      8.392997
  H      -5.185535     -3.172474      6.152193
  N      -7.311173     -5.452061      1.582497
  H      -7.679222     -6.396315      1.439700
  H      -6.422077     -5.403263      1.080237
  H      -7.941678     -4.823002      1.078570
  N       0.394332     -3.842786      2.139168
  N       1.292250     -3.483652      1.609156
77
Coordinates from ORCA-job orca E -7409.247624823787
  N      -3.000565     -4.081517      1.767350
  C      -3.301043     -4.929133      0.615822
  C      -3.689488     -6.316282      1.096461
  N      -3.076671     -6.559284      2.422330
  C      -3.642649     -7.796784      3.052888
  C      -4.075086     -7.490867      4.481972
  N      -4.637017     -6.159061      4.422833
  Mo     -3.437724     -4.672831      3.713229
  N      -1.691650     -5.498327      4.395112
  C      -0.934227     -6.478992      3.619440
  C      -1.595716     -6.639579      2.270418
  H      -0.902780     -7.434367      4.172815
  H       0.109679     -6.157360      3.473963
  H      -1.318602     -7.593522      1.793141
  H      -1.288593     -5.820480      1.613921
  H      -4.811177     -8.235286      4.816874
  H      -3.223714     -7.518548      5.180229
  H      -4.526963     -8.086405      2.472119
  H      -2.910559     -8.615045      2.999877
  H      -2.421270     -4.976963     -0.047478
  H      -4.126195     -4.484889      0.038369
  H      -3.351280     -7.089612      0.383848
  H      -4.778532     -6.408076      1.174777
  C      -2.518231     -2.842779      1.481608
  C      -2.224862     -2.351025      0.182955
  C      -1.856661     -1.030846      0.012819
  C      -1.802871     -0.139767      1.108929
  C      -2.046140     -0.603951      2.383442
  C      -2.336576     -1.970770      2.594671
  N      -2.571286     -2.543396      3.824671
  C      -2.170750     -1.967307      4.953167
  C      -1.083183     -1.055050      5.241510
  O      -1.025542     -0.326058      6.203578
  Cl      0.407770     -1.231421      4.186790
  C      -5.862837     -5.841251      4.908709
  C      -6.707275     -6.652592      5.698464
  C      -7.954721     -6.174826      6.066472
  C      -8.392524     -4.900702      5.652178
  C      -7.575212     -4.086669      4.884040
  C      -6.292102     -4.535598      4.523505
  N      -5.384739     -3.861699      3.725825
  C      -5.685401     -2.566198      3.361452
  C      -5.567353     -2.121868      2.037406
  O      -5.338505     -2.702762      0.991245
  Cl     -5.913613     -0.276445      1.951279
  C      -1.302133     -5.315183      5.689668
  C      -0.080323     -5.755614      6.250783
  C       0.239179     -5.413560      7.553665
  C      -0.638604     -4.621006      8.324436
  C      -1.857205     -4.219934      7.811773
  C      -2.236429     -4.609969      6.507118
  N      -3.431107     -4.296392      5.904055
  C      -4.498299     -3.872815      6.624526
  C      -4.885460     -4.424883      7.885877
  O      -4.459226     -5.368671      8.514027
  Cl     -6.352360     -3.496395      8.540886
  H      -2.338427     -2.991677     -0.688753
  H      -1.659673     -0.657670     -0.993513
  H      -1.602650      0.918692      0.942955
  H      -2.059553      0.085100      3.226975
  H      -2.701732     -2.237190      5.862150
  H      -6.371994     -7.630951      6.041838
  H      -8.602327     -6.791348      6.691322
  H      -9.384080     -4.550689      5.941234
  H      -7.925095     -3.113873      4.540687
  H      -6.136815     -1.900044      4.097255
  H       0.629368     -6.319922      5.647426
  H       1.196426     -5.725251      7.973737
  H      -0.347256     -4.308784      9.327800
  H      -2.524157     -3.589691      8.397452
  H      -5.182173     -3.170727      6.160915
  N      -7.354990     -5.457874      1.588257
  H      -7.722250     -6.400521      1.432983
  H      -6.463454     -5.405296      1.090451
  H      -7.981974     -4.824283      1.085436
  N       0.418451     -3.847905      2.118901
  N       1.310845     -3.487958      1.580174
77
Coordinates from ORCA-job orca E -7409.248197013653
  N      -2.998022     -4.081372      1.770379
  C      -3.290433     -4.931807      0.618951
  C      -3.689621     -6.313717      1.103527
  N      -3.071316     -6.560346      2.426381
  C      -3.634966     -7.799568      3.055817
  C      -4.080245     -7.491823      4.480491
  N      -4.642667     -6.160221      4.415796
  Mo     -3.437074     -4.676381      3.716754
  N      -1.689661     -5.495691      4.397241
  C      -0.929213     -6.474660      3.622123
  C      -1.590566     -6.638692      2.273360
  H      -0.894182     -7.429051      4.176968
  H       0.113369     -6.149173      3.475886
  H      -1.312078     -7.592988      1.797646
  H      -1.284334     -5.820396      1.615691
  H      -4.818053     -8.236419      4.811113
  H      -3.234082     -7.516742      5.185199
  H      -4.511394     -8.098306      2.467691
  H      -2.896496     -8.612503      3.012708
  H      -2.403581     -4.986814     -0.034586
  H      -4.107657     -4.487863      0.030283
  H      -3.364398     -7.091651      0.389847
  H      -4.779175     -6.393826      1.190809
  C      -2.518774     -2.841868      1.485222
  C      -2.225389     -2.349790      0.186481
  C      -1.859911     -1.028953      0.016088
  C      -1.808179     -0.136973      1.111695
  C      -2.051080     -0.601196      2.386176
  C      -2.338871     -1.968481      2.597606
  N      -2.569838     -2.541393      3.828097
  C      -2.162481     -1.970196      4.954641
  C      -1.076120     -1.051475      5.234684
  O      -1.017716     -0.317969      6.192546
  Cl      0.412016     -1.235474      4.178768
  C      -5.868228     -5.840809      4.902110
  C      -6.716004     -6.651661      5.688568
  C      -7.960996     -6.169237      6.058799
  C      -8.393181     -4.891262      5.649976
  C      -7.573071     -4.078122      4.884168
  C      -6.292636     -4.532435      4.520699
  N      -5.382846     -3.862310      3.724144
  C      -5.674904     -2.564387      3.359203
  C      -5.561590     -2.125994      2.032906
  O      -5.342342     -2.713039      0.987914
  Cl     -5.900104     -0.279665      1.940413
  C      -1.298164     -5.309420      5.691868
  C      -0.073983     -5.743021      6.251778
  C       0.242738     -5.402498      7.556241
  C      -0.641201     -4.618999      8.328487
  C      -1.861641     -4.222536      7.815364
  C      -2.235956     -4.608969      6.508556
  N      -3.431196     -4.299858      5.903399
  C      -4.501063     -3.882794      6.626237
  C      -4.884749     -4.445631      7.882667
  O      -4.452189     -5.390689      8.504912
  Cl     -6.356340     -3.528642      8.546511
  H      -2.336722     -2.991295     -0.684914
  H      -1.663419     -0.655818     -0.990365
  H      -1.610257      0.921804      0.945128
  H      -2.066490      0.088011      3.229651
  H      -2.683940     -2.246242      5.867342
  H      -6.385033     -7.632621      6.028630
  H      -8.611159     -6.784936      6.681803
  H      -9.382787     -4.537910      5.941662
  H      -7.917961     -3.102102      4.544752
  H      -6.115985     -1.892760      4.096379
  H       0.639046     -6.302438      5.647783
  H       1.201260     -5.710037      7.976411
  H      -0.354242     -4.310329      9.334242
  H      -2.534178     -3.600211      8.403444
  H      -5.186455     -3.178933      6.167200
  N      -7.396523     -5.464391      1.591135
  H      -7.763409     -6.405174      1.423990
  H      -6.502315     -5.408119      1.098154
  H      -8.020021     -4.825723      1.090370
  N       0.442878     -3.852238      2.097473
  N       1.329636     -3.491261      1.550253
77
Coordinates from ORCA-job orca E -7409.248692386848
  N      -2.996194     -4.081195      1.774222
  C      -3.280562     -4.934298      0.623004
  C      -3.690390     -6.311007      1.111344
  N      -3.066443     -6.561355      2.431126
  C      -3.627506     -7.802389      3.059535
  C      -4.085736     -7.493181      4.479705
  N      -4.648470     -6.161754      4.409650
  Mo     -3.436511     -4.680068      3.721130
  N      -1.687773     -5.494287      4.400277
  C      -0.924663     -6.471398      3.625241
  C      -1.585945     -6.637860      2.276694
  H      -0.886269     -7.425096      4.181050
  H       0.116685     -6.142292      3.478247
  H      -1.306300     -7.592204      1.801817
  H      -1.280508     -5.819841      1.618546
  H      -4.825486     -8.237939      4.805556
  H      -3.245064     -7.515814      5.191113
  H      -4.495746     -8.110328      2.463976
  H      -2.882657     -8.609803      3.026274
  H      -2.386888     -4.996815     -0.020754
  H      -4.089699     -4.490699      0.023049
  H      -3.377981     -7.093162      0.396552
  H      -4.780169     -6.379266      1.207462
  C      -2.519325     -2.841025      1.489960
  C      -2.225576     -2.348506      0.191299
  C      -1.862027     -1.027168      0.021013
  C      -1.811840     -0.134731      1.116414
  C      -2.054733     -0.599196      2.390760
  C      -2.340872     -1.966797      2.602031
  N      -2.568482     -2.540349      3.832877
  C      -2.155169     -1.974100      4.958069
  C      -1.069078     -1.050917      5.231400
  O      -1.011962     -0.308857      6.182089
  Cl      0.416006     -1.241270      4.173390
  C      -5.874393     -5.841408      4.895068
  C      -6.726245     -6.652787      5.676373
  C      -7.970318     -6.167450      6.045851
  C      -8.397612     -4.886340      5.641376
  C      -7.573822     -4.072859      4.880124
  C      -6.294477     -4.530657      4.516989
  N      -5.380978     -3.862733      3.724160
  C      -5.665819     -2.563057      3.357688
  C      -5.560538     -2.132229      2.028433
  O      -5.350338     -2.725767      0.985103
  Cl     -5.886380     -0.283886      1.929079
  C      -1.293555     -5.305079      5.694420
  C      -0.066432     -5.732129      6.251764
  C       0.250396     -5.390627      7.556286
  C      -0.636755     -4.612427      8.329495
  C      -1.859699     -4.220873      7.817557
  C      -2.233424     -4.608370      6.511086
  N      -3.430125     -4.303478      5.904912
  C      -4.501687     -3.889817      6.629633
  C      -4.888488     -4.464877      7.878810
  O      -4.458620     -5.417040      8.492385
  Cl     -6.355048     -3.546982      8.554610
  H      -2.334935     -2.990692     -0.679877
  H      -1.665735     -0.653879     -0.985431
  H      -1.615314      0.924254      0.949626
  H      -2.071482      0.089928      3.234381
  H      -2.668824     -2.255615      5.873633
  H      -6.399376     -7.636198      6.013274
  H      -8.623807     -6.783284      6.665223
  H      -9.386440     -4.530982      5.933270
  H      -7.914295     -3.094085      4.544046
  H      -6.096178     -1.885649      4.095913
  H       0.648542     -6.287865      5.646618
  H       1.211002     -5.693440      7.975089
  H      -0.351140     -4.303930      9.335710
  H      -2.534518     -3.602567      8.407062
  H      -5.184569     -3.180404      6.175502
  N      -7.437162     -5.468213      1.596939
  H      -7.804755     -6.406513      1.418044
  H      -6.540545     -5.408612      1.108465
  H      -8.057109     -4.823191      1.099956
  N       0.466878     -3.856981      2.075436
  N       1.347544     -3.494718      1.519323
77
Coordinates from ORCA-job orca E -7409.249116461258
  N      -2.994670     -4.080376      1.776586
  C      -3.270688     -4.936480      0.625861
  C      -3.690233     -6.308239      1.118080
  N      -3.061013     -6.561558      2.435125
  C      -3.619756     -7.804222      3.062805
  C      -4.090690     -7.493651      4.478435
  N      -4.653375     -6.162252      4.403433
  Mo     -3.435563     -4.682740      3.724139
  N      -1.685335     -5.492033      4.402927
  C      -0.919627     -6.467457      3.628140
  C      -1.580641     -6.636155      2.279621
  H      -0.878241     -7.420510      4.184832
  H       0.120601     -6.135019      3.480588
  H      -1.299750     -7.590422      1.805394
  H      -1.275816     -5.818188      1.621350
  H      -4.832557     -8.238401      4.799405
  H      -3.255543     -7.514528      5.196438
  H      -4.479854     -8.120943      2.459984
  H      -2.868908     -8.606264      3.039208
  H      -2.370481     -5.006246     -0.008197
  H      -4.071848     -4.493847      0.014633
  H      -3.389756     -7.094359      0.402564
  H      -4.780018     -6.365078      1.222527
  C      -2.520173     -2.839563      1.493021
  C      -2.226200     -2.346854      0.194380
  C      -1.864653     -1.024991      0.023983
  C      -1.815961     -0.132103      1.119119
  C      -2.058823     -0.596672      2.393419
  C      -2.343338     -1.964532      2.604685
  N      -2.567734     -2.538579      3.835830
  C      -2.149676     -1.975473      4.959382
  C      -1.065328     -1.046424      5.225355
  O      -1.006482     -0.302167      6.173632
  Cl      0.419318     -1.247310      4.169402
  C      -5.878796     -5.840128      4.889716
  C      -6.733880     -6.651037      5.667797
  C      -7.975987     -6.161718      6.038652
  C      -8.398262     -4.877436      5.638601
  C      -7.571744     -4.064687      4.879718
  C      -6.294423     -4.526917      4.514969
  N      -5.378352     -3.862425      3.723428
  C      -5.656724     -2.562040      3.352561
  C      -5.557666     -2.141741      2.019664
  O      -5.355818     -2.744095      0.979610
  Cl     -5.878883     -0.292923      1.907969
  C      -1.289617     -5.300122      5.696895
  C      -0.060416     -5.721275      6.253266
  C       0.253785     -5.381643      7.559261
  C      -0.638846     -4.611949      8.334159
  C      -1.863310     -4.224467      7.821872
  C      -2.232561     -4.608095      6.513269
  N      -3.429652     -4.306697      5.905516
  C      -4.503267     -3.899786      6.632603
  C      -4.886326     -4.485308      7.877396
  O      -4.451411     -5.440211      8.483313
  Cl     -6.357572     -3.580038      8.561280
  H      -2.333546     -2.989962     -0.676404
  H      -1.668564     -0.651632     -0.982479
  H      -1.620692      0.927060      0.952063
  H      -2.076769      0.092453      3.237092
  H      -2.655917     -2.261768      5.877644
  H      -6.411101     -7.636807      6.001677
  H      -8.632027     -6.776872      6.655997
  H      -9.385583     -4.519273      5.932185
  H      -7.907949     -3.083300      4.546847
  H      -6.077227     -1.877460      4.089879
  H       0.657531     -6.272401      5.647412
  H       1.215538     -5.680776      7.978040
  H      -0.357118     -4.306995      9.342567
  H      -2.543062     -3.613534      8.413699
  H      -5.187507     -3.188096      6.183771
  N      -7.476164     -5.470879      1.602174
  H      -7.845044     -6.406264      1.411465
  H      -6.577265     -5.407985      1.118249
  H      -8.092390     -4.818614      1.110139
  N       0.491563     -3.860338      2.051443
  N       1.365920     -3.496661      1.486460
77
Coordinates from ORCA-job orca E -7409.249477769689
  N      -2.993143     -4.080262      1.778333
  C      -3.260395     -4.939520      0.628164
  C      -3.688900     -6.306601      1.124012
  N      -3.055388     -6.562181      2.438864
  C      -3.612032     -7.806347      3.065893
  C      -4.095058     -7.494787      4.477106
  N      -4.657587     -6.163414      4.397548
  Mo     -3.434742     -4.685515      3.726464
  N      -1.683097     -5.490691      4.405982
  C      -0.914774     -6.464432      3.631541
  C      -1.575116     -6.634882      2.282822
  H      -0.870868     -7.416998      4.188873
  H       0.124491     -6.128982      3.483790
  H      -1.292884     -7.588889      1.808938
  H      -1.270680     -5.816650      1.624914
  H      -4.839189     -8.239501      4.792901
  H      -3.265456     -7.514505      5.201613
  H      -4.464378     -8.131023      2.456244
  H      -2.855712     -8.603328      3.051295
  H      -2.353891     -5.016137      0.003724
  H      -4.053592     -4.498361      0.005864
  H      -3.399161     -7.096392      0.408185
  H      -4.778440     -6.352629      1.236113
  C      -2.520744     -2.838721      1.495710
  C      -2.226438     -2.345551      0.197282
  C      -1.866440     -1.023190      0.027184
  C      -1.818988     -0.130319      1.122367
  C      -2.062160     -0.595264      2.396493
  C      -2.345578     -1.963352      2.607399
  N      -2.567319     -2.538360      3.838699
  C      -2.145376     -1.978717      4.961556
  C      -1.060059     -1.048240      5.223113
  O      -1.004535     -0.291201      6.160973
  Cl      0.422149     -1.254667      4.164950
  C      -5.882649     -5.839833      4.884225
  C      -6.740711     -6.650467      5.659162
  C      -7.981188     -6.157814      6.031060
  C      -8.398870     -4.870614      5.635302
  C      -7.569774     -4.058278      4.878942
  C      -6.294325     -4.524410      4.512528
  N      -5.375767     -3.862281      3.722953
  C      -5.648474     -2.560537      3.350501
  C      -5.557601     -2.147628      2.014977
  O      -5.364847     -2.755828      0.976517
  Cl     -5.872698     -0.297663      1.896128
  C      -1.286440     -5.296240      5.699599
  C      -0.055310     -5.711988      6.255231
  C       0.257241     -5.372381      7.561816
  C      -0.639300     -4.608285      8.337393
  C      -1.865282     -4.225046      7.824970
  C      -2.231984     -4.607996      6.515617
  N      -3.429684     -4.310073      5.906499
  C      -4.505422     -3.908726      6.634694
  C      -4.888630     -4.504596      7.874237
  O      -4.451971     -5.463343      8.472936
  Cl     -6.359118     -3.604728      8.567017
  H      -2.331836     -2.989344     -0.673263
  H      -1.670280     -0.649489     -0.979139
  H      -1.624437      0.928991      0.955453
  H      -2.081064      0.093722      3.240337
  H      -2.647117     -2.268169      5.881372
  H      -6.421623     -7.638375      5.990236
  H      -8.639551     -6.772505      6.646384
  H      -9.384822     -4.509959      5.930456
  H      -7.902058     -3.074402      4.549381
  H      -6.058435     -1.870567      4.088722
  H       0.665015     -6.259588      5.648981
  H       1.220291     -5.667609      7.980373
  H      -0.359943     -4.304346      9.346778
  H      -2.548164     -3.618566      8.417815
  H      -5.189541     -3.194122      6.190155
  N      -7.513913     -5.472179      1.606835
  H      -7.884937     -6.404030      1.403863
  H      -6.612621     -5.406278      1.127668
  H      -8.125890     -4.811476      1.120968
  N       0.515943     -3.863686      2.025704
  N       1.383357     -3.498142      1.451230
77
Coordinates from ORCA-job orca E -7409.249786669265
  N      -2.991969     -4.079471      1.780208
  C      -3.251191     -4.941467      0.630596
  C      -3.687506     -6.304364      1.129598
  N      -3.049945     -6.561846      2.442501
  C      -3.604530     -7.807504      3.068922
  C      -4.098187     -7.495627      4.476300
  N      -4.660578     -6.164292      4.393133
  Mo     -3.433838     -4.687314      3.728789
  N      -1.680714     -5.489331      4.409272
  C      -0.909957     -6.461218      3.634844
  C      -1.569730     -6.632675      2.285873
  H      -0.863888     -7.413597      4.192321
  H       0.128486     -6.123092      3.487088
  H      -1.286240     -7.586180      1.811787
  H      -1.265680     -5.813793      1.628785
  H      -4.844492     -8.240382      4.786897
  H      -3.273748     -7.514854      5.206756
  H      -4.450090     -8.138919      2.453408
  H      -2.843433     -8.599930      3.061838
  H      -2.339156     -5.024056      0.014877
  H      -4.037255     -4.501850     -0.001662
  H      -3.407766     -7.097375      0.413462
  H      -4.776640     -6.340075      1.249131
  C      -2.521227     -2.837332      1.498521
  C      -2.226539     -2.343600      0.200418
  C      -1.867917     -1.020750      0.030880
  C      -1.821545     -0.128267      1.126393
  C      -2.064978     -0.593847      2.400290
  C      -2.347772     -1.962088      2.610443
  N      -2.567303     -2.538239      3.841613
  C      -2.142036     -1.980324      4.963304
  C      -1.058133     -1.045758      5.218424
  O      -0.997145     -0.291906      6.158133
  Cl      0.424938     -1.265476      4.163954
  C      -5.885460     -5.839657      4.879990
  C      -6.746117     -6.650301      5.651924
  C      -7.985914     -6.155628      6.023403
  C      -8.400390     -4.866553      5.630197
  C      -7.569013     -4.054233      4.876450
  C      -6.294294     -4.522656      4.510309
  N      -5.373326     -3.862066      3.723081
  C      -5.642822     -2.560604      3.345457
  C      -5.560164     -2.158842      2.006293
  O      -5.374173     -2.775497      0.971508
  Cl     -5.869977     -0.308211      1.874814
  C      -1.283638     -5.293252      5.702504
  C      -0.050923     -5.704881      6.257498
  C       0.260580     -5.365216      7.564369
  C      -0.638597     -4.604963      8.340487
  C      -1.865772     -4.225075      7.828149
  C      -2.231156     -4.608236      6.518543
  N      -3.429430     -4.312798      5.908687
  C      -4.506362     -3.915374      6.637931
  C      -4.890586     -4.519664      7.873081
  O      -4.455056     -5.483604      8.464341
  Cl     -6.357680     -3.621415      8.574412
  H      -2.330167     -2.987888     -0.670011
  H      -1.671598     -0.646487     -0.975202
  H      -1.627369      0.931185      0.959961
  H      -2.084302      0.094744      3.244503
  H      -2.638218     -2.273060      5.885190
  H      -6.429885     -7.639783      5.981023
  H      -8.646367     -6.770223      6.636568
  H      -9.385757     -4.504440      5.925530
  H      -7.898453     -3.068701      4.548907
  H      -6.043939     -1.864049      4.082302
  H       0.671155     -6.249689      5.650793
  H       1.224751     -5.657305      7.982547
  H      -0.360608     -4.301329      9.350345
  H      -2.550599     -3.621443      8.421582
  H      -5.189328     -3.197065      6.197646
  N      -7.551151     -5.470758      1.612613
  H      -7.925167     -6.398312      1.396489
  H      -6.647617     -5.401883      1.138116
  H      -8.158527     -4.800415      1.134422
  N       0.540502     -3.866686      1.998786
  N       1.400710     -3.499367      1.414888
77
Coordinates from ORCA-job orca E -7409.250058052001
  N      -2.990742     -4.078273      1.780941
  C      -3.242234     -4.942736      0.631819
  C      -3.684939     -6.302113      1.133445
  N      -3.044180     -6.560765      2.445102
  C      -3.597091     -7.807779      3.070905
  C      -4.099745     -7.496086      4.475093
  N      -4.662003     -6.164775      4.389255
  Mo     -3.432736     -4.688131      3.729733
  N      -1.678192     -5.487224      4.412345
  C      -0.904949     -6.457308      3.638051
  C      -1.563871     -6.629620      2.288610
  H      -0.857124     -7.409611      4.195506
  H       0.132806     -6.116807      3.490652
  H      -1.278893     -7.582513      1.814240
  H      -1.260071     -5.809956      1.632539
  H      -4.847986     -8.240933      4.780845
  H      -3.279862     -7.515316      5.210693
  H      -4.437076     -8.144459      2.450588
  H      -2.832131     -8.596428      3.069742
  H      -2.325231     -5.030005      0.024050
  H      -4.022108     -4.504949     -0.009299
  H      -3.413728     -7.098019      0.417398
  H      -4.773689     -6.328544      1.259619
  C      -2.521669     -2.835408      1.500348
  C      -2.226887     -2.340696      0.202731
  C      -1.869339     -1.017350      0.034228
  C      -1.823608     -0.125783      1.130449
  C      -2.067211     -0.592427      2.403994
  C      -2.349610     -1.960863      2.612934
  N      -2.567361     -2.538708      3.843742
  C      -2.139004     -1.982898      4.965022
  C      -1.052558     -1.050055      5.216738
  O      -0.991803     -0.286148      6.148071
  Cl      0.427984     -1.276742      4.159470
  C      -5.885987     -5.838607      4.877840
  C      -6.747814     -6.648273      5.649408
  C      -7.985931     -6.150869      6.022890
  C      -8.397712     -4.860189      5.631901
  C      -7.565563     -4.048970      4.877931
  C      -6.292451     -4.520246      4.509773
  N      -5.370684     -3.861990      3.722153
  C      -5.638222     -2.561728      3.337351
  C      -5.561588     -2.172733      1.994358
  O      -5.381520     -2.799349      0.964413
  Cl     -5.871989     -0.322827      1.846699
  C      -1.282320     -5.290199      5.705634
  C      -0.049028     -5.698848      6.261727
  C       0.259288     -5.361008      7.569808
  C      -0.643877     -4.605999      8.346478
  C      -1.871226     -4.228496      7.832767
  C      -2.232583     -4.608709      6.521235
  N      -3.430508     -4.315070      5.910052
  C      -4.509233     -3.923605      6.639819
  C      -4.890350     -4.533491      7.873249
  O      -4.450099     -5.497958      8.460171
  Cl     -6.361602     -3.645611      8.577752
  H      -2.329089     -2.985051     -0.667855
  H      -1.673008     -0.642127     -0.971489
  H      -1.629616      0.933845      0.964938
  H      -2.086720      0.095557      3.248752
  H      -2.632873     -2.276331      5.887895
  H      -6.433807     -7.638932      5.977072
  H      -8.647196     -6.764573      6.636065
  H      -9.381773     -4.496056      5.929119
  H      -7.892704     -3.062130      4.551972
  H      -6.031753     -1.857938      4.071379
  H       0.675474     -6.240617      5.655198
  H       1.223635     -5.651130      7.988952
  H      -0.368925     -4.304644      9.357845
  H      -2.559578     -3.629288      8.426846
  H      -5.194193     -3.205221      6.202485
  N      -7.586857     -5.468341      1.615526
  H      -7.964326     -6.390828      1.384842
  H      -6.680895     -5.396194      1.146194
  H      -8.189102     -4.787324      1.146209
  N       0.564590     -3.868271      1.968494
  N       1.416646     -3.498685      1.374082
77
Coordinates from ORCA-job orca E -7409.250301004024
  N      -2.989336     -4.077647      1.781436
  C      -3.233881     -4.944339      0.632699
  C      -3.681661     -6.300822      1.136401
  N      -3.038583     -6.559696      2.447471
  C      -3.589730     -7.807946      3.072830
  C      -4.098821     -7.496957      4.474863
  N      -4.661439     -6.165928      4.387051
  Mo     -3.431510     -4.688409      3.730196
  N      -1.675933     -5.485774      4.415772
  C      -0.900315     -6.454014      3.641527
  C      -1.558166     -6.626552      2.291450
  H      -0.851320     -7.406536      4.198507
  H       0.136972     -6.111608      3.494924
  H      -1.271637     -7.578688      1.816539
  H      -1.254591     -5.805911      1.636608
  H      -4.848437     -8.242153      4.776532
  H      -3.282516     -7.516340      5.214464
  H      -4.425930     -8.148280      2.449391
  H      -2.821880     -8.593726      3.075334
  H      -2.312707     -5.035037      0.031653
  H      -4.008728     -4.508453     -0.015491
  H      -3.417373     -7.099438      0.420987
  H      -4.770058     -6.319286      1.268571
  C      -2.521988     -2.833942      1.501919
  C      -2.227853     -2.337781      0.204867
  C      -1.871432     -1.013853      0.037768
  C      -1.825808     -0.123749      1.135099
  C      -2.069144     -0.591908      2.408234
  C      -2.351333     -1.960576      2.615503
  N      -2.567642     -2.540519      3.845707
  C      -2.136518     -1.985726      4.966612
  C      -1.047107     -1.055754      5.214845
  O      -0.981032     -0.290100      6.144287
  Cl      0.431512     -1.292706      4.155962
  C      -5.885176     -5.839275      4.875936
  C      -6.747495     -6.648456      5.647437
  C      -7.985101     -6.150105      6.021307
  C      -8.395810     -4.858826      5.631043
  C      -7.563374     -4.048068      4.876989
  C      -6.290920     -4.520527      4.507944
  N      -5.368550     -3.862794      3.721049
  C      -5.635957     -2.563222      3.332166
  C      -5.566523     -2.182874      1.986646
  O      -5.392129     -2.816096      0.959637
  Cl     -5.875925     -0.333275      1.828657
  C      -1.282222     -5.288789      5.709198
  C      -0.048874     -5.696078      6.266768
  C       0.257417     -5.358507      7.575183
  C      -0.647494     -4.604679      8.351245
  C      -1.874626     -4.228687      7.836313
  C      -2.234400     -4.609335      6.524336
  N      -3.431975     -4.316515      5.912191
  C      -4.511726     -3.927144      6.641000
  C      -4.894322     -4.539292      7.873274
  O      -4.454949     -5.505542      8.457917
  Cl     -6.363192     -3.650801      8.579891
  H      -2.329149     -2.981734     -0.666151
  H      -1.675434     -0.637271     -0.967497
  H      -1.631860      0.936102      0.970932
  H      -2.088216      0.095139      3.253799
  H      -2.628809     -2.278646      5.890519
  H      -6.434298     -7.639473      5.974824
  H      -8.646653     -6.763386      6.634582
  H      -9.379277     -4.493790      5.929128
  H      -7.889333     -3.060568      4.551795
  H      -6.022665     -1.854761      4.065261
  H       0.677068     -6.236465      5.660731
  H       1.221763     -5.647368      7.995223
  H      -0.373713     -4.302972      9.362817
  H      -2.564135     -3.630021      8.429553
  H      -5.196280     -3.207869      6.204478
  N      -7.620180     -5.465013      1.616140
  H      -8.001813     -6.381369      1.368994
  H      -6.711483     -5.389381      1.152491
  H      -8.216561     -4.772041      1.157185
  N       0.588571     -3.870227      1.935748
  N       1.431791     -3.498326      1.330325
77
Coordinates from ORCA-job orca E -7409.250536938454
  N      -2.988183     -4.075998      1.781858
  C      -3.227739     -4.943892      0.633156
  C      -3.678352     -6.298657      1.138040
  N      -3.033490     -6.557149      2.449127
  C      -3.582888     -7.806576      3.074063
  C      -4.094689     -7.497110      4.475611
  N      -4.658256     -6.166568      4.387456
  Mo     -3.430024     -4.686921      3.730197
  N      -1.673860     -5.483632      4.419374
  C      -0.896096     -6.449813      3.644686
  C      -1.552863     -6.621846      2.293815
  H      -0.846333     -7.402968      4.200508
  H       0.140892     -6.105871      3.499244
  H      -1.264655     -7.573026      1.818018
  H      -1.249607     -5.800013      1.640387
  H      -4.844725     -8.243006      4.774643
  H      -3.280209     -7.516864      5.217209
  H      -4.417865     -8.148285      2.449747
  H      -2.813465     -8.590787      3.076983
  H      -2.303839     -5.036075      0.036504
  H      -3.999832     -4.509402     -0.019164
  H      -3.419009     -7.099288      0.423325
  H      -4.766321     -6.311325      1.275701
  C      -2.522458     -2.831350      1.503502
  C      -2.229715     -2.333031      0.207192
  C      -1.873930     -1.008553      0.042265
  C      -1.827228     -0.120818      1.141404
  C      -2.069594     -0.591271      2.413981
  C      -2.352335     -1.960153      2.618685
  N      -2.567749     -2.542897      3.847880
  C      -2.133234     -1.988857      4.968587
  C      -1.037989     -1.066122      5.214022
  O      -0.963166     -0.300451      6.142892
  Cl      0.436313     -1.313163      4.149751
  C      -5.881672     -5.839956      4.877100
  C      -6.742911     -6.648475      5.650536
  C      -7.980573     -6.150423      6.024556
  C      -8.392487     -4.860034      5.632504
  C      -7.561277     -4.049904      4.876502
  C      -6.288592     -4.521871      4.507467
  N      -5.366983     -3.864367      3.719600
  C      -5.637554     -2.567571      3.322441
  C      -5.573080     -2.199238      1.973653
  O      -5.400924     -2.841855      0.951912
  Cl     -5.885064     -0.351493      1.799281
  C      -1.283759     -5.288331      5.713383
  C      -0.051388     -5.696554      6.273434
  C       0.252336     -5.360433      7.582468
  C      -0.653756     -4.606685      8.357765
  C      -1.879693     -4.230361      7.841017
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  N      -3.434179     -4.316589      5.915015
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  C      -4.898430     -4.537379      7.875555
  O      -4.459716     -5.502945      8.461753
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  H      -2.331144     -2.975731     -0.664765
  H      -1.678859     -0.629923     -0.962400
  H      -1.632916      0.939291      0.979287
  H      -2.087059      0.094186      3.260898
  H      -2.625662     -2.278739      5.893354
  H      -6.428772     -7.638811      5.979102
  H      -8.641225     -6.763245      6.639247
  H      -9.375931     -4.495147      5.930835
  H      -7.887873     -3.063030      4.550044
  H      -6.020800     -1.853516      4.051851
  H       0.675666     -6.236239      5.668112
  H       1.215864     -5.649795      8.004062
  H      -0.381137     -4.305251      9.369715
  H      -2.569930     -3.631397      8.433091
  H      -5.199438     -3.209809      6.203610
  N      -7.649650     -5.459623      1.614018
  H      -8.036009     -6.368445      1.347641
  H      -6.738216     -5.379832      1.156610
  H      -8.239596     -4.753295      1.167449
  N       0.610612     -3.871198      1.899134
  N       1.443762     -3.496778      1.281478
77
Coordinates from ORCA-job orca E -7409.250777436775
  N      -2.986984     -4.074508      1.781790
  C      -3.223169     -4.943135      0.632906
  C      -3.674094     -6.297315      1.138285
  N      -3.028685     -6.554119      2.450223
  C      -3.576290     -7.804387      3.075195
  C      -4.086503     -7.496749      4.478028
  N      -4.652007     -6.167126      4.390609
  Mo     -3.428183     -4.683922      3.729398
  N      -1.672290     -5.481321      4.423249
  C      -0.892435     -6.445303      3.647922
  C      -1.547806     -6.616435      2.296083
  H      -0.842333     -7.399423      4.202048
  H       0.144419     -6.100119      3.504125
  H      -1.257641     -7.566614      1.819455
  H      -1.245002     -5.793432      1.643931
  H      -4.835610     -8.243791      4.776686
  H      -3.271656     -7.516411      5.219201
  H      -4.412851     -8.145335      2.452612
  H      -2.806695     -8.588440      3.075357
  H      -2.297884     -5.034760      0.038315
  H      -3.994739     -4.509835     -0.020561
  H      -3.416624     -7.099316      0.424700
  H      -4.761556     -6.307580      1.280465
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  C      -2.233521     -2.327662      0.208685
  C      -1.878454     -1.002551      0.046233
  C      -1.829345     -0.117840      1.147631
  C      -2.069537     -0.591137      2.419692
  C      -2.353070     -1.960257      2.621370
  N      -2.567807     -2.546191      3.849358
  C      -2.129322     -1.992172      4.969993
  C      -1.025050     -1.081641      5.213254
  O      -0.936814     -0.319602      6.144299
  Cl      0.442388     -1.339106      4.139797
  C      -5.875514     -5.841697      4.880252
  C      -6.734106     -6.649696      5.657299
  C      -7.972660     -6.153632      6.030834
  C      -8.388079     -4.865521      5.634901
  C      -7.559571     -4.055850      4.875502
  C      -6.285863     -4.525565      4.506926
  N      -5.366222     -3.867077      3.717392
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  C      -5.581594     -2.212377      1.963600
  O      -5.410149     -2.861459      0.945546
  Cl     -5.898570     -0.367076      1.777654
  C      -1.287393     -5.289394      5.718313
  C      -0.057132     -5.701096      6.281824
  C       0.243865     -5.366938      7.591482
  C      -0.662206     -4.610944      8.365395
  C      -1.885927     -4.232300      7.846286
  C      -2.242468     -4.611455      6.532373
  N      -3.437202     -4.314820      5.918192
  C      -4.517911     -3.923387      6.640969
  C      -4.905303     -4.524884      7.878442
  O      -4.469655     -5.487938      8.470813
  Cl     -6.373690     -3.629498      8.571982
  H      -2.336258     -2.968473     -0.664536
  H      -1.685365     -0.621374     -0.957835
  H      -1.634589      0.942571      0.987934
  H      -2.084191      0.092218      3.268370
  H      -2.623966     -2.275751      5.895471
  H      -6.416927     -7.638147      5.988664
  H      -8.631171     -6.766104      6.648153
  H      -9.372066     -4.501953      5.933032
  H      -7.888560     -3.070671      4.546356
  H      -6.024625     -1.856032      4.041386
  H       0.670436     -6.241229      5.677546
  H       1.205786     -5.658553      8.015217
  H      -0.390231     -4.309468      9.377480
  H      -2.575632     -3.630885      8.436395
  H      -5.202289     -3.208252      6.197588
  N      -7.672900     -5.453393      1.606249
  H      -8.064360     -6.353194      1.317924
  H      -6.758372     -5.369017      1.156094
  H      -8.255538     -4.732605      1.173564
  N       0.629569     -3.871746      1.859206
  N       1.451503     -3.494657      1.228320
77
Coordinates from ORCA-job orca E -7409.251019577906
  N      -2.986172     -4.072570      1.781985
  C      -3.221250     -4.941275      0.632716
  C      -3.669999     -6.295922      1.138130
  N      -3.024420     -6.550266      2.451112
  C      -3.570087     -7.801044      3.076627
  C      -4.074559     -7.495416      4.482371
  N      -4.643104     -6.167168      4.396814
  Mo     -3.425965     -4.679338      3.728579
  N      -1.671326     -5.478538      4.427423
  C      -0.889298     -6.439871      3.650936
  C      -1.543273     -6.609912      2.298138
  H      -0.838694     -7.395244      4.202824
  H       0.147361     -6.093210      3.508964
  H      -1.250898     -7.559072      1.820771
  H      -1.241305     -5.785820      1.646966
  H      -4.821138     -8.244121      4.783262
  H      -3.256959     -7.514191      5.220469
  H      -4.410659     -8.139540      2.458155
  H      -2.801513     -8.586115      3.071309
  H      -2.296101     -5.030417      0.037609
  H      -3.994645     -4.508746     -0.018923
  H      -3.411830     -7.098488      0.425649
  H      -4.756999     -6.307379      1.284059
  C      -2.525040     -2.825389      1.504931
  C      -2.239484     -2.321242      0.209949
  C      -1.885011     -0.995500      0.050227
  C      -1.831876     -0.114400      1.154285
  C      -2.068465     -0.591043      2.425899
  C      -2.353302     -1.960360      2.624138
  N      -2.567335     -2.549744      3.850780
  C      -2.123390     -1.995712      4.971335
  C      -1.006738     -1.102541      5.212412
  O      -0.900054     -0.347933      6.148181
  Cl      0.450011     -1.370008      4.124485
  C      -5.867144     -5.844209      4.885930
  C      -6.721745     -6.652084      5.667707
  C      -7.962231     -6.159883      6.039674
  C      -8.383586     -4.875588      5.637565
  C      -7.559046     -4.065941      4.873860
  C      -6.283089     -4.531234      4.507216
  N      -5.366534     -3.870968      3.715098
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  C      -5.591298     -2.225959      1.953649
  O      -5.417136     -2.880640      0.939275
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  C      -0.065464     -5.709116      6.291464
  C       0.232754     -5.377845      7.601918
  C      -0.672382     -4.618266      8.374312
  C      -1.893100     -4.235391      7.852614
  C      -2.248510     -4.612967      6.537519
  N      -3.440572     -4.311071      5.921937
  C      -4.521193     -3.913967      6.638898
  C      -4.914154     -4.502327      7.881930
  O      -4.483756     -5.461054      8.484691
  Cl     -6.382695     -3.597201      8.559855
  H      -2.344906     -2.959550     -0.664809
  H      -1.695110     -0.611315     -0.953287
  H      -1.636484      0.946317      0.997267
  H      -2.078750      0.089569      3.276847
  H      -2.621590     -2.270018      5.897636
  H      -6.399563     -7.637527      6.003232
  H      -8.617674     -6.772340      6.660254
  H      -9.369026     -4.514909      5.934366
  H      -7.892368     -3.083744      4.540247
  H      -6.035694     -1.862094      4.030090
  H       0.662103     -6.250373      5.688233
  H       1.192438     -5.673285      8.028099
  H      -0.400771     -4.317154      9.386576
  H      -2.581242     -3.630246      8.440579
  H      -5.204352     -3.203069      6.187098
  N      -7.688993     -5.445265      1.593587
  H      -8.085692     -6.334521      1.280921
  H      -6.771229     -5.356080      1.151496
  H      -8.263554     -4.709383      1.175838
  N       0.643261     -3.871940      1.816926
  N       1.452811     -3.492155      1.171828
77
Coordinates from ORCA-job orca E -7409.251254858636
  N      -2.985743     -4.070690      1.782433
  C      -3.220820     -4.939555      0.632911
  C      -3.665986     -6.294996      1.138769
  N      -3.020007     -6.546468      2.452354
  C      -3.563517     -7.797433      3.079026
  C      -4.060433     -7.493479      4.488127
  N      -4.632847     -6.166940      4.404625
  Mo     -3.423296     -4.674182      3.728089
  N      -1.670767     -5.475607      4.431944
  C      -0.886050     -6.433704      3.654021
  C      -1.538651     -6.603081      2.300384
  H      -0.834165     -7.390343      4.203551
  H       0.150097     -6.084663      3.513797
  H      -1.243794     -7.551303      1.822591
  H      -1.237958     -5.778069      1.649796
  H      -4.803319     -8.244201      4.793092
  H      -3.238715     -7.510355      5.221613
  H      -4.408754     -8.133328      2.465551
  H      -2.796307     -8.583837      3.067701
  H      -2.296480     -5.025429      0.036157
  H      -3.996918     -4.508000     -0.015926
  H      -3.405714     -7.097681      0.427273
  H      -4.752586     -6.310255      1.287840
  C      -2.527708     -2.822021      1.505198
  C      -2.247791     -2.314826      0.210552
  C      -1.894241     -0.988417      0.053132
  C      -1.835907     -0.110885      1.159717
  C      -2.067511     -0.590832      2.431144
  C      -2.353570     -1.960316      2.626268
  N      -2.566096     -2.552910      3.851763
  C      -2.115219     -1.999028      4.972067
  C      -0.984104     -1.126513      5.210426
  O      -0.855677     -0.382067      6.152330
  Cl      0.458794     -1.403349      4.104184
  C      -5.857907     -5.847586      4.892564
  C      -6.707960     -6.655879      5.679109
  C      -7.950969     -6.168658      6.048893
  C      -8.379384     -4.888816      5.640007
  C      -7.559377     -4.078648      4.872000
  C      -6.280565     -4.538329      4.507960
  N      -5.367607     -3.875727      3.713070
  C      -5.660123     -2.588129      3.299978
  C      -5.601367     -2.236163      1.947291
  O      -5.423166     -2.893725      0.935101
  Cl     -5.935460     -0.398029      1.744438
  C      -1.298909     -5.294902      5.730551
  C      -0.075224     -5.719046      6.301943
  C       0.219987     -5.391458      7.613487
  C      -0.683980     -4.628169      8.384381
  C      -1.901311     -4.239994      7.859940
  C      -2.255346     -4.615033      6.543392
  N      -3.443846     -4.305851      5.925640
  C      -4.524309     -3.900641      6.635177
  C      -4.925142     -4.473351      7.884083
  O      -4.502439     -5.427179      8.499362
  Cl     -6.393925     -3.555647      8.542443
  H      -2.356835     -2.950663     -0.665587
  H      -1.708678     -0.601241     -0.950029
  H      -1.639972      0.950106      1.005049
  H      -2.072298      0.086768      3.284548
  H      -2.617385     -2.262195      5.899391
  H      -6.379833     -7.637810      6.019189
  H      -8.603017     -6.781469      6.672687
  H      -9.366783     -4.532022      5.934945
  H      -7.897989     -3.099985      4.533455
  H      -6.050089     -1.870876      4.022616
  H       0.652241     -6.261467      5.699697
  H       1.177132     -5.691428      8.042225
  H      -0.412949     -4.328029      9.397062
  H      -2.587362     -3.630777      8.445942
  H      -5.204730     -3.193898      6.173048
  N      -7.698961     -5.435534      1.576932
  H      -8.100723     -6.313012      1.238548
  H      -6.777602     -5.341817      1.143567
  H      -8.264645     -4.684484      1.174337
  N       0.652197     -3.872612      1.773287
  N       1.448454     -3.490306      1.113305
77
Coordinates from ORCA-job orca E -7409.251483055516
  N      -2.985968     -4.068467      1.783455
  C      -3.221540     -4.937781      0.634048
  C      -3.662622     -6.293872      1.141182
  N      -3.015108     -6.542831      2.454377
  C      -3.556128     -7.793940      3.082581
  C      -4.046093     -7.491341      4.494538
  N      -4.622611     -6.166547      4.412930
  Mo     -3.420267     -4.669152      3.728504
  N      -1.670290     -5.472548      4.436949
  C      -0.882151     -6.426632      3.657296
  C      -1.533642     -6.595976      2.302990
  H      -0.827678     -7.384398      4.204538
  H       0.152953     -6.073831      3.518451
  H      -1.236125     -7.543265      1.824917
  H      -1.234698     -5.770043      1.652802
  H      -4.784930     -8.244184      4.803982
  H      -3.220188     -7.505824      5.223302
  H      -4.405150     -8.128218      2.473500
  H      -2.789803     -8.581202      3.066320
  H      -2.298113     -5.020674      0.035532
  H      -4.000210     -4.507620     -0.012479
  H      -3.400540     -7.096415      0.430129
  H      -4.748812     -6.313877      1.293372
  C      -2.531358     -2.818272      1.505569
  C      -2.257840     -2.308278      0.211016
  C      -1.905366     -0.981221      0.055410
  C      -1.841017     -0.107031      1.164248
  C      -2.066690     -0.590072      2.435712
  C      -2.353976     -1.959655      2.628166
  N      -2.563863     -2.555169      3.852755
  C      -2.104491     -2.002186      4.972533
  C      -0.958102     -1.151757      5.207170
  O      -0.806285     -0.418832      6.155367
  Cl      0.468467     -1.437090      4.080048
  C      -5.848949     -5.851396      4.899517
  C      -6.694601     -6.660604      5.690095
  C      -7.940415     -6.178791      6.057236
  C      -8.376059     -4.903485      5.641776
  C      -7.560464     -4.092287      4.870183
  C      -6.278451     -4.545828      4.509442
  N      -5.369099     -3.880895      3.711862
  C      -5.669935     -2.596466      3.294995
  C      -5.611470     -2.246629      1.941827
  O      -5.428380     -2.906692      0.931820
  Cl     -5.956111     -0.412357      1.733289
  C      -1.305189     -5.298334      5.737786
  C      -0.085080     -5.729055      6.312891
  C       0.206867     -5.405645      7.625811
  C      -0.696289     -4.639535      8.395408
  C      -1.910274     -4.245903      7.868206
  C      -2.262355     -4.617486      6.549929
  N      -3.446703     -4.299957      5.929248
  C      -4.527227     -3.885957      6.630599
  C      -4.937074     -4.443228      7.884654
  O      -4.523385     -5.392575      8.512165
  Cl     -6.405728     -3.512130      8.522867
  H      -2.371054     -2.941923     -0.666209
  H      -1.724850     -0.591230     -0.947570
  H      -1.644509      0.954158      1.011499
  H      -2.065100      0.084364      3.291657
  H      -2.609856     -2.254065      5.901235
  H      -6.360607     -7.639079      6.034423
  H      -8.589321     -6.792324      6.683590
  H      -9.365738     -4.551130      5.934364
  H      -7.904617     -3.117304      4.526762
  H      -6.065885     -1.880584      4.015786
  H       0.642532     -6.272172      5.711520
  H       1.161508     -5.710054      8.057011
  H      -0.426398     -4.341074      9.408868
  H      -2.594282     -3.633249      8.452777
  H      -5.203637     -3.182331      6.158132
  N      -7.705186     -5.423061      1.559101
  H      -8.111854     -6.287556      1.194153
  H      -6.780036     -5.325402      1.134784
  H      -8.261244     -4.656838      1.171915
  N       0.657403     -3.874334      1.728244
  N       1.439425     -3.489851      1.052664
77
Coordinates from ORCA-job orca E -7409.251710832906
  N      -2.986929     -4.066243      1.784693
  C      -3.222758     -4.936801      0.636072
  C      -3.659506     -6.293160      1.145521
  N      -3.009356     -6.539892      2.457390
  C      -3.547360     -7.791208      3.087574
  C      -4.032369     -7.489442      4.501391
  N      -4.612923     -6.166314      4.421022
  Mo     -3.416961     -4.664755      3.729695
  N      -1.669789     -5.469552      4.442516
  C      -0.877336     -6.418849      3.661079
  C      -1.527936     -6.588992      2.306231
  H      -0.818804     -7.377480      4.206280
  H       0.156108     -6.060719      3.523180
  H      -1.227527     -7.535333      1.828032
  H      -1.231209     -5.762072      1.656335
  H      -4.767363     -8.244315      4.814880
  H      -3.203055     -7.501284      5.226304
  H      -4.398502     -8.125625      2.481559
  H      -2.780908     -8.578365      3.068360
  H      -2.299925     -5.017558      0.036329
  H      -4.003310     -4.508900     -0.009518
  H      -3.396293     -7.095429      0.434380
  H      -4.745171     -6.318354      1.300922
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  C      -2.269666     -2.302206      0.210844
  C      -1.918521     -0.974511      0.056314
  C      -1.847625     -0.103174      1.166928
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  C      -2.354916     -1.958448      2.629203
  N      -2.560843     -2.556454      3.853196
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  C      -0.930275     -1.176908      5.202099
  O      -0.754633     -0.456162      6.156212
  Cl      0.478565     -1.469960      4.053135
  C      -5.840699     -5.855641      4.906079
  C      -6.682356     -6.666112      5.699826
  C      -7.930969     -6.189675      6.064213
  C      -8.373432     -4.918591      5.642963
  C      -7.561891     -4.106011      4.868593
  C      -6.276722     -4.553481      4.511211
  N      -5.370771     -3.886138      3.711433
  C      -5.678987     -2.604265      3.292445
  C      -5.621276     -2.254989      1.939122
  O      -5.433840     -2.915994      0.930337
  Cl     -5.976700     -0.424085      1.727654
  C      -1.311373     -5.301759      5.745703
  C      -0.094762     -5.738459      6.324381
  C       0.193525     -5.419427      7.638920
  C      -0.709399     -4.651493      8.407254
  C      -1.920141     -4.252586      7.877103
  C      -2.269485     -4.620098      6.556878
  N      -3.449214     -4.293700      5.932411
  C      -4.530215     -3.871308      6.625230
  C      -4.949653     -4.414930      7.883213
  O      -4.545580     -5.360823      8.521336
  Cl     -6.417601     -3.470825      8.502555
  H      -2.387350     -2.934215     -0.667008
  H      -1.743583     -0.582096     -0.946700
  H      -1.650596      0.958130      1.015462
  H      -2.058081      0.082530      3.297084
  H      -2.599400     -2.246239      5.902487
  H      -6.343029     -7.641423      6.047908
  H      -8.577107     -6.804178      6.692480
  H      -9.365414     -4.570771      5.933148
  H      -7.911364     -3.134485      4.520911
  H      -6.080972     -1.890491      4.012051
  H       0.633394     -6.281819      5.723959
  H       1.145744     -5.727935      8.072569
  H      -0.441405     -4.355245      9.421852
  H      -2.602405     -3.637318      8.460711
  H      -5.201618     -3.169326      6.143435
  N      -7.707881     -5.407228      1.540170
  H      -8.119361     -6.257485      1.148034
  H      -6.778678     -5.306608      1.125236
  H      -8.253354     -4.625756      1.168608
  N       0.659453     -3.877755      1.681756
  N       1.426315     -3.491556      0.989913
77
Coordinates from ORCA-job orca E -7409.251941608705
  N      -2.988912     -4.063855      1.786205
  C      -3.224674     -4.936496      0.639216
  C      -3.656973     -6.292740      1.151931
  N      -3.002825     -6.537643      2.461537
  C      -3.537017     -7.789459      3.094029
  C      -4.020065     -7.488105      4.508455
  N      -4.604318     -6.166495      4.428501
  Mo     -3.413652     -4.661325      3.731776
  N      -1.669249     -5.466599      4.448679
  C      -0.871542     -6.410202      3.665347
  C      -1.521616     -6.581967      2.310089
  H      -0.807290     -7.369417      4.208730
  H       0.159530     -6.045041      3.527832
  H      -1.218057     -7.527243      1.831739
  H      -1.227661     -5.753847      1.660527
  H      -4.751927     -8.244801      4.824717
  H      -3.188794     -7.497398      5.231190
  H      -4.388097     -8.126302      2.489275
  H      -2.768941     -8.575082      3.074274
  H      -2.302040     -5.016212      0.038903
  H      -4.006370     -4.511767     -0.007003
  H      -3.393908     -7.094666      0.440057
  H      -4.742054     -6.322877      1.310829
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  C      -2.282794     -2.296697      0.210220
  C      -1.932915     -0.968464      0.056107
  C      -1.855150     -0.099429      1.168018
  C      -2.067145     -0.587112      2.440368
  C      -2.356468     -1.956664      2.629537
  N      -2.557322     -2.556772      3.853156
  C      -2.077850     -2.007756      4.970874
  C      -0.901948     -1.201035      5.195256
  O      -0.703071     -0.492317      6.154408
  Cl      0.488545     -1.500874      4.024459
  C      -5.833481     -5.860140      4.912195
  C      -6.671710     -6.672071      5.708232
  C      -7.922952     -6.200680      6.069937
  C      -8.371564     -4.933348      5.643784
  C      -7.563547     -4.119189      4.867460
  C      -6.275370     -4.560918      4.513403
  N      -5.372574     -3.891261      3.711866
  C      -5.687218     -2.611785      3.290977
  C      -5.630463     -2.263432      1.937331
  O      -5.439007     -2.925020      0.929654
  Cl     -5.996114     -0.435274      1.723272
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  C      -0.103839     -5.746491      6.336258
  C       0.180464     -5.431746      7.652558
  C      -0.722902     -4.663023      8.419611
  C      -1.930627     -4.259366      7.886328
  C      -2.276508     -4.622553      6.564056
  N      -3.451479     -4.287517      5.935171
  C      -4.533403     -3.858211      6.619920
  C      -4.961963     -4.391460      7.880325
  O      -4.567000     -5.335512      8.526101
  Cl     -6.428409     -3.436047      8.484440
  H      -2.405082     -2.927662     -0.667797
  H      -1.763701     -0.574081     -0.947108
  H      -1.657518      0.961881      1.017216
  H      -2.051351      0.081382      3.300927
  H      -2.586072     -2.240166      5.903186
  H      -6.327905     -7.644662      6.059513
  H      -8.566764     -6.816326      6.699477
  H      -9.365770     -4.589918      5.931560
  H      -7.917931     -3.150795      4.516168
  H      -6.095064     -1.899747      4.009068
  H       0.625303     -6.289650      5.736916
  H       1.130439     -5.743787      8.088605
  H      -0.457569     -4.369339      9.435642
  H      -2.611672     -3.642497      8.469431
  H      -5.199419     -3.156159      6.130911
  N      -7.707263     -5.386322      1.520807
  H      -8.123683     -6.220902      1.100964
  H      -6.773837     -5.284077      1.115404
  H      -8.240992     -4.589383      1.165217
  N       0.658296     -3.883194      1.634209
  N       1.409034     -3.495789      0.925491
77
Coordinates from ORCA-job orca E -7409.252170400471
  N      -2.991864     -4.061923      1.787481
  C      -3.226846     -4.937607      0.642974
  C      -3.654572     -6.293532      1.159657
  N      -2.995594     -6.536394      2.466649
  C      -3.524952     -7.789139      3.101697
  C      -4.009386     -7.487798      4.515486
  N      -4.596966     -6.167654      4.434721
  Mo     -3.410723     -4.659266      3.734195
  N      -1.668691     -5.463869      4.455285
  C      -0.864966     -6.401094      3.670149
  C      -1.514719     -6.575231      2.314528
  H      -0.793782     -7.360621      4.211945
  H       0.163189     -6.027707      3.532606
  H      -1.207719     -7.519330      1.836044
  H      -1.223955     -5.745768      1.665327
  H      -4.739189     -8.246079      4.832630
  H      -3.178082     -7.494735      5.238271
  H      -4.373808     -8.130825      2.496525
  H      -2.753555     -8.571564      3.083714
  H      -2.303997     -5.017143      0.042746
  H      -4.009149     -4.517095     -0.005213
  H      -3.392802     -7.095291      0.446843
  H      -4.739017     -6.327880      1.322542
  C      -2.548693     -2.807789      1.504601
  C      -2.296609     -2.292597      0.208748
  C      -1.947812     -0.963972      0.054459
  C      -1.863358     -0.096603      1.167177
  C      -2.068641     -0.585589      2.440248
  C      -2.358930     -1.954996      2.628774
  N      -2.554134     -2.556820      3.852156
  C      -2.064129     -2.010809      4.968288
  C      -0.875759     -1.222920      5.186366
  O      -0.655566     -0.525054      6.149257
  Cl      0.497333     -1.528892      3.995378
  C      -5.827391     -5.865094      4.917102
  C      -6.662799     -6.678463      5.714755
  C      -7.916252     -6.211483      6.074301
  C      -8.370025     -4.947191      5.644439
  C      -7.564929     -4.131504      4.866800
  C      -6.274229     -4.568276      4.515282
  N      -5.374285     -3.896139      3.712695
  C      -5.694005     -2.618094      3.291983
  C      -5.638134     -2.268901      1.938471
  O      -5.443646     -2.929018      0.930541
  Cl     -6.012384     -0.442167      1.725196
  C      -1.322748     -5.307191      5.762850
  C      -0.112293     -5.752695      6.348424
  C       0.167740     -5.441680      7.666429
  C      -0.736665     -4.672685      8.431916
  C      -1.941565     -4.265098      7.895190
  C      -2.283508     -4.624525      6.570996
  N      -3.453946     -4.281954      5.937410
  C      -4.537052     -3.847549      6.615208
  C      -4.973647     -4.374057      7.876635
  O      -4.586419     -5.317951      8.526806
  Cl     -6.437878     -3.409873      8.470068
  H      -2.423328     -2.923106     -0.669017
  H      -1.784017     -0.568152     -0.949080
  H      -1.665076      0.964621      1.016473
  H      -2.045856      0.080560      3.302531
  H      -2.571398     -2.236893      5.902754
  H      -6.315449     -7.648811      6.068726
  H      -8.558056     -6.828297      6.704750
  H      -9.366092     -4.607544      5.930252
  H      -7.923474     -3.165641      4.512885
  H      -6.106592     -1.908099      4.009422
  H       0.618231     -6.295454      5.750456
  H       1.115627     -5.756589      8.104966
  H      -0.474530     -4.381360      9.449445
  H      -2.622045     -3.647301      8.477787
  H      -5.197975     -3.144079      6.121368
  N      -7.703811     -5.360393      1.500904
  H      -8.125574     -6.177877      1.053394
  H      -6.766055     -5.258110      1.105097
  H      -8.224632     -4.547826      1.161749
  N       0.654919     -3.890549      1.586357
  N       1.388773     -3.502406      0.860552
77
Coordinates from ORCA-job orca E -7409.252391245144
  N      -2.995455     -4.060533      1.788529
  C      -3.229510     -4.939483      0.646833
  C      -3.652405     -6.295344      1.167536
  N      -2.988263     -6.535480      2.472196
  C      -3.511896     -7.789656      3.109690
  C      -3.999931     -7.488361      4.522223
  N      -4.590609     -6.169765      4.439715
  Mo     -3.408473     -4.658242      3.736536
  N      -1.668042     -5.461200      4.462010
  C      -0.858184     -6.391786      3.675054
  C      -1.507712     -6.568452      2.319057
  H      -0.779891     -7.351586      4.215225
  H       0.166961     -6.010160      3.537418
  H      -1.197132     -7.511288      1.840397
  H      -1.220303     -5.737641      1.670183
  H      -4.728619     -8.248127      4.838406
  H      -3.170162     -7.493216      5.246838
  H      -4.357438     -8.137574      2.503419
  H      -2.736031     -8.567685      3.094458
  H      -2.306571     -5.018735      0.046500
  H      -4.012829     -4.523582     -0.003167
  H      -3.392740     -7.097285      0.454039
  H      -4.736153     -6.332685      1.335502
  C      -2.555620     -2.805755      1.503497
  C      -2.309641     -2.289815      0.207009
  C      -1.961428     -0.960996      0.052499
  C      -1.870960     -0.094975      1.165850
  C      -2.070517     -0.584843      2.439559
  C      -2.361927     -1.954055      2.627662
  N      -2.551912     -2.557529      3.850745
  C      -2.051943     -2.014705      4.965035
  C      -0.853331     -1.242361      5.176356
  O      -0.614386     -0.553349      6.141424
  Cl      0.504283     -1.554166      3.967532
  C      -5.822081     -5.870190      4.920938
  C      -6.655106     -6.684727      5.719986
  C      -7.910424     -6.221609      6.077807
  C      -8.368613     -4.959929      5.644780
  C      -7.565908     -4.143012      4.866102
  C      -6.273032     -4.575454      4.516616
  N      -5.375640     -3.900768      3.713405
  C      -5.699768     -2.623813      3.293306
  C      -5.643980     -2.273461      1.940075
  O      -5.446545     -2.931342      0.931443
  Cl     -6.025119     -0.447288      1.728437
  C      -1.327890     -5.308691      5.771247
  C      -0.120021     -5.757129      6.360410
  C       0.155744     -5.449219      7.679886
  C      -0.749992     -4.679975      8.443625
  C      -1.952247     -4.269328      7.903378
  C      -2.290366     -4.625933      6.577496
  N      -3.456933     -4.277527      5.939702
  C      -4.541120     -3.839678      6.612143
  C      -4.984176     -4.361841      7.873873
  O      -4.602652     -5.306349      8.526359
  Cl     -6.446164     -3.391761      8.460083
  H      -2.440396     -2.920016     -0.670430
  H      -1.802226     -0.564021     -0.951313
  H      -1.671906      0.966124      1.015146
  H      -2.041524      0.079540      3.303058
  H      -2.556777     -2.236674      5.901844
  H      -6.304807     -7.653112      6.076412
  H      -8.550382     -6.839501      6.709071
  H      -9.366241     -4.623433      5.928858
  H      -7.927944     -3.179292      4.509975
  H      -6.116150     -1.915524      4.010229
  H       0.612033     -6.299443      5.763938
  H       1.101674     -5.766464      8.120968
  H      -0.490994     -4.390490      9.462469
  H      -2.632750     -3.650836      8.485106
  H      -5.198136     -3.134767      6.115091
  N      -7.699495     -5.330734      1.481921
  H      -8.127337     -6.129801      1.007479
  H      -6.757591     -5.229626      1.095545
  H      -8.206785     -4.502587      1.160230
  N       0.651068     -3.898499      1.538852
  N       1.367557     -3.509880      0.796213
77
Coordinates from ORCA-job orca E -7409.252604568974
  N      -2.999384     -4.060310      1.789177
  C      -3.232778     -4.942611      0.650387
  C      -3.650190     -6.298816      1.174992
  N      -2.980915     -6.534878      2.477960
  C      -3.498070     -7.790816      3.117923
  C      -3.991005     -7.489504      4.528907
  N      -4.584837     -6.172658      4.443675
  Mo     -3.406848     -4.657987      3.738381
  N      -1.667192     -5.458570      4.468541
  C      -0.851424     -6.382643      3.679933
  C      -1.500608     -6.561831      2.323530
  H      -0.766563     -7.342770      4.218424
  H       0.170952     -5.993528      3.542474
  H      -1.186385     -7.503460      1.844877
  H      -1.216590     -5.729920      1.674672
  H      -4.719129     -8.250769      4.842889
  H      -3.163828     -7.492198      5.256506
  H      -4.339934     -8.145772      2.510618
  H      -2.717078     -8.563686      3.105807
  H      -2.310255     -5.020825      0.049146
  H      -4.018153     -4.531534     -0.000302
  H      -3.392675     -7.101421      0.461553
  H      -4.733063     -6.338269      1.349352
  C      -2.562358     -2.805212      1.501846
  C      -2.321397     -2.288932      0.204721
  C      -1.973443     -0.960063      0.049896
  C      -1.877965     -0.095003      1.163658
  C      -2.072953     -0.585315      2.437936
  C      -2.365332     -1.954322      2.625885
  N      -2.550803     -2.559367      3.848694
  C      -2.041894     -2.019266      4.961032
  C      -0.835318     -1.258922      5.165504
  O      -0.580547     -0.576430      6.131262
  Cl      0.509350     -1.576512      3.941708
  C      -5.817315     -5.875391      4.923527
  C      -6.648345     -6.690834      5.723821
  C      -7.905332     -6.231214      6.080078
  C      -8.367302     -4.971829      5.644217
  C      -7.566459     -4.153952      4.864771
  C      -6.271683     -4.582580      4.516962
  N      -5.376400     -3.905043      3.713751
  C      -5.704275     -2.628165      3.296473
  C      -5.647764     -2.273678      1.944402
  O      -5.447397     -2.926807      0.933438
  Cl     -6.034991     -0.447291      1.738529
  C      -1.332606     -5.309403      5.779073
  C      -0.127063     -5.760206      6.371908
  C       0.144501     -5.454979      7.692624
  C      -0.762735     -4.685404      8.454557
  C      -1.962470     -4.272420      7.910844
  C      -2.297068     -4.626971      6.583442
  N      -3.460424     -4.274214      5.942083
  C      -4.545541     -3.834011      6.610371
  C      -4.994133     -4.353075      7.872009
  O      -4.616730     -5.298255      8.526029
  Cl     -6.454649     -3.379637      8.452269
  H      -2.455693     -2.918905     -0.672383
  H      -1.817915     -0.562265     -0.954159
  H      -1.678151      0.965955      1.012863
  H      -2.038847      0.078052      3.302052
  H      -2.543331     -2.238431      5.900325
  H      -6.295404     -7.657408      6.082551
  H      -8.543604     -6.850115      6.712054
  H      -9.366278     -4.637932      5.926605
  H      -7.931321     -3.192041      4.506669
  H      -6.123598     -1.922638      4.014363
  H       0.606508     -6.302070      5.776903
  H       1.088535     -5.774213      8.136334
  H      -0.506564     -4.397308      9.474495
  H      -2.643488     -3.653238      8.491174
  H      -5.199867     -3.128450      6.110578
  N      -7.694563     -5.299316      1.463960
  H      -8.129252     -6.078809      0.963736
  H      -6.748707     -5.200321      1.086744
  H      -8.187947     -4.455858      1.160884
  N       0.647741     -3.906329      1.492012
  N       1.346625     -3.517357      0.733019
77
Coordinates from ORCA-job orca E -7409.252807095301
  N      -3.003456     -4.061044      1.789984
  C      -3.237346     -4.946141      0.653817
  C      -3.648499     -6.303191      1.182003
  N      -2.973848     -6.534008      2.483759
  C      -3.484016     -7.791954      3.126156
  C      -3.982485     -7.490672      4.535523
  N      -4.579668     -6.175758      4.446936
  Mo     -3.405754     -4.658022      3.739926
  N      -1.666037     -5.455707      4.474586
  C      -0.844872     -6.373533      3.684329
  C      -1.493685     -6.554926      2.327555
  H      -0.754324     -7.334179      4.220940
  H       0.175174     -5.978087      3.547471
  H      -1.175900     -7.495415      1.849009
  H      -1.213194     -5.722180      1.678317
  H      -4.710179     -8.253562      4.846686
  H      -3.158396     -7.490924      5.266592
  H      -4.322266     -8.154232      2.518199
  H      -2.697663     -8.559314      3.117146
  H      -2.316189     -5.022127      0.050201
  H      -4.026300     -4.539448      0.004494
  H      -3.393020     -7.106864      0.469330
  H      -4.730259     -6.343842      1.364184
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  C      -2.331019     -2.289636      0.202627
  C      -1.982913     -0.960851      0.047524
  C      -1.883605     -0.096431      1.161533
  C      -2.075364     -0.586897      2.436274
  C      -2.368588     -1.955674      2.624171
  N      -2.550489     -2.562314      3.846737
  C      -2.033726     -2.024403      4.957156
  C      -0.821282     -1.272605      5.154852
  O      -0.553717     -0.594019      6.119860
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  C      -5.813078     -5.880182      4.925456
  C      -6.642504     -6.696322      5.726801
  C      -7.901119     -6.239934      6.081291
  C      -8.366394     -4.982723      5.642515
  C      -7.566899     -4.164092      4.862592
  C      -6.270256     -4.589164      4.516818
  N      -5.376518     -3.908882      3.713879
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  C      -5.650248     -2.273042      1.948461
  O      -5.446351     -2.921195      0.935094
  Cl     -6.043313     -0.446525      1.748583
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  C      -0.132958     -5.762047      6.382312
  C       0.134659     -5.459520      7.704140
  C      -0.774258     -4.690013      8.464639
  C      -1.971756     -4.275342      7.917900
  C      -2.303250     -4.627986      6.589006
  N      -3.464080     -4.272064      5.944940
  C      -4.549986     -3.830390      6.610060
  C      -5.003313     -4.346974      7.871447
  O      -4.628778     -5.292431      8.526959
  Cl     -6.463367     -3.372067      8.446136
  H      -2.468318     -2.919319     -0.674247
  H      -1.829971     -0.562527     -0.956717
  H      -1.683002      0.964376      1.010664
  H      -2.037320      0.076107      3.300519
  H      -2.531105     -2.241491      5.899082
  H      -6.287098     -7.661216      6.087624
  H      -8.537997     -6.859788      6.713727
  H      -9.366718     -4.651135      5.922813
  H      -7.934072     -3.203900      4.502253
  H      -6.130132     -1.929427      4.018278
  H       0.602049     -6.303144      5.788386
  H       1.076969     -5.780389      8.150331
  H      -0.520468     -4.403308      9.485552
  H      -2.653772     -3.655777      8.496607
  H      -5.202716     -3.125233      6.107498
  N      -7.689977     -5.267346      1.448116
  H      -8.132212     -6.026197      0.923336
  H      -6.740476     -5.170896      1.079562
  H      -8.169364     -4.408983      1.165065
  N       0.645668     -3.913040      1.446196
  N       1.326826     -3.523695      0.671481
77
Coordinates from ORCA-job orca E -7409.252992701564
  N      -3.007405     -4.063135      1.791007
  C      -3.242933     -4.950623      0.657129
  C      -3.647160     -6.308673      1.188972
  N      -2.966922     -6.533325      2.489617
  C      -3.469837     -7.793182      3.134774
  C      -3.974320     -7.491521      4.542252
  N      -4.575241     -6.178714      4.449524
  Mo     -3.404929     -4.658217      3.741229
  N      -1.664646     -5.452641      4.479962
  C      -0.838501     -6.364586      3.688202
  C      -1.486917     -6.548147      2.331187
  H      -0.742952     -7.325806      4.222962
  H       0.179561     -5.963696      3.552259
  H      -1.165641     -7.487595      1.852917
  H      -1.210311     -5.714808      1.681101
  H      -4.701258     -8.256185      4.850920
  H      -3.153363     -7.488519      5.276797
  H      -4.304331     -8.163171      2.526320
  H      -2.678075     -8.554888      3.129415
  H      -2.323958     -5.023506      0.049891
  H      -4.036501     -4.547841      0.010851
  H      -3.393162     -7.113706      0.477699
  H      -4.727462     -6.350191      1.379924
  C      -2.573471     -2.808066      1.498790
  C      -2.338857     -2.292352      0.200518
  C      -1.990561     -0.963677      0.044768
  C      -1.888466     -0.099336      1.158617
  C      -2.077902     -0.589497      2.433904
  C      -2.371529     -1.958009      2.622152
  N      -2.550469     -2.565941      3.844714
  C      -2.027087     -2.029419      4.953307
  C      -0.810348     -1.283480      5.144500
  O      -0.532767     -0.606533      6.107708
  Cl      0.515485     -1.613263      3.899207
  C      -5.809731     -5.884753      4.926338
  C      -6.638051     -6.701674      5.728124
  C      -7.898290     -6.248248      6.080502
  C      -8.366236     -4.992878      5.639195
  C      -7.567561     -4.173379      4.859412
  C      -6.269193     -4.595295      4.515898
  N      -5.376176     -3.912231      3.713991
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  C      -5.651401     -2.267942      1.955420
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  Cl     -6.049890     -0.441238      1.765293
  C      -1.339660     -5.308735      5.792392
  C      -0.137519     -5.762640      6.391338
  C       0.126434     -5.462937      7.714264
  C      -0.784446     -4.694351      8.473823
  C      -1.980150     -4.278614      7.924620
  C      -2.308750     -4.629120      6.594205
  N      -3.467486     -4.270720      5.947926
  C      -4.554306     -3.828051      6.610068
  C      -5.012185     -4.342459      7.871045
  O      -4.640185     -5.287702      8.528440
  Cl     -6.472828     -3.366836      8.439646
  H      -2.478666     -2.921937     -0.676050
  H      -1.839457     -0.565333     -0.959742
  H      -1.687250      0.961304      1.007368
  H      -2.036943      0.073733      3.297858
  H      -2.520453     -2.244351      5.897840
  H      -6.280395     -7.665123      6.090606
  H      -8.534253     -6.869068      6.712901
  H      -9.367895     -4.663402      5.917175
  H      -7.936454     -3.214615      4.497059
  H      -6.134974     -1.936207      4.025879
  H       0.598934     -6.302436      5.798024
  H       1.067332     -5.784893      8.162644
  H      -0.532784     -4.409297      9.495718
  H      -2.663553     -3.659249      8.501856
  H      -5.205782     -3.123910      6.104374
  N      -7.686170     -5.237276      1.433331
  H      -8.135999     -5.974763      0.885111
  H      -6.733192     -5.143420      1.073188
  H      -8.151583     -4.364664      1.171336
  N       0.645353     -3.918740      1.401695
  N       1.308884     -3.529068      0.612002
77
Coordinates from ORCA-job orca E -7409.253160876596
  N      -3.011249     -4.065578      1.792766
  C      -3.249823     -4.954705      0.660743
  C      -3.646854     -6.313722      1.196367
  N      -2.960432     -6.532547      2.495351
  C      -3.456155     -7.794096      3.143461
  C      -3.966830     -7.491755      4.548771
  N      -4.571782     -6.181099      4.451724
  Mo     -3.404264     -4.658189      3.742865
  N      -1.663271     -5.449188      4.484738
  C      -0.832396     -6.355356      3.691302
  C      -1.480681     -6.541123      2.334258
  H      -0.731866     -7.317095      4.224273
  H       0.183698     -5.949178      3.556176
  H      -1.155967     -7.479465      1.856111
  H      -1.208467     -5.707110      1.683211
  H      -4.692455     -8.258328      4.855797
  H      -3.148663     -7.484799      5.286383
  H      -4.286526     -8.172010      2.534251
  H      -2.659086     -8.550170      3.142394
  H      -2.333737     -5.024194      0.048885
  H      -4.048494     -4.554937      0.018706
  H      -3.394106     -7.119985      0.486381
  H      -4.725474     -6.356013      1.396465
  C      -2.577590     -2.810702      1.498070
  C      -2.345029     -2.295860      0.199240
  C      -1.996227     -0.967364      0.042641
  C      -1.891749     -0.102812      1.156073
  C      -2.079416     -0.592421      2.431962
  C      -2.373544     -1.960567      2.620760
  N      -2.550102     -2.569441      3.843503
  C      -2.020935     -2.034077      4.950436
  C      -0.800430     -1.293144      5.135497
  O      -0.514396     -0.616684      6.096472
  Cl      0.517993     -1.629976      3.882712
  C      -5.807317     -5.888962      4.927050
  C      -6.634822     -6.706910      5.728714
  C      -7.896662     -6.256229      6.078768
  C      -8.366928     -5.002479      5.635297
  C      -7.568851     -4.181812      4.856138
  C      -6.268788     -4.600726      4.515261
  N      -5.375986     -3.915298      3.714554
  C      -5.712723     -2.636757      3.307917
  C      -5.652409     -2.264107      1.961300
  O      -5.442060     -2.900333      0.941604
  Cl     -6.055372     -0.437733      1.778800
  C      -1.341945     -5.307645      5.798051
  C      -0.140676     -5.761987      6.398856
  C       0.120037     -5.465277      7.722926
  C      -0.793064     -4.698757      8.482184
  C      -1.987589     -4.282499      7.931249
  C      -2.313429     -4.630394      6.599308
  N      -3.470379     -4.269869      5.951164
  C      -4.558315     -3.826549      6.610263
  C      -5.020251     -4.338910      7.870882
  O      -4.650757     -5.283556      8.530465
  Cl     -6.481961     -3.362280      8.433428
  H      -2.487148     -2.925431     -0.676984
  H      -1.846470     -0.569341     -0.962199
  H      -1.689849      0.957612      1.004225
  H      -2.035935      0.071121      3.295575
  H      -2.510801     -2.246622      5.897377
  H      -6.275147     -7.669191      6.092300
  H      -8.532148     -6.878077      6.710630
  H      -9.369989     -4.675220      5.910818
  H      -7.939275     -3.224350      4.491952
  H      -6.139729     -1.942598      4.032284
  H       0.597316     -6.299776      5.805650
  H       1.060003     -5.787651      8.172948
  H      -0.543437     -4.415774      9.505153
  H      -2.672561     -3.664219      8.507716
  H      -5.208467     -3.123380      6.101491
  N      -7.684128     -5.209517      1.418777
  H      -8.140825     -5.924964      0.847596
  H      -6.727800     -5.117845      1.067154
  H      -8.135841     -4.323482      1.178797
  N       0.646422     -3.923440      1.358656
  N       1.292451     -3.533569      0.554681
77
Coordinates from ORCA-job orca E -7409.253317202708
  N      -3.015273     -4.068878      1.794827
  C      -3.257881     -4.959647      0.664692
  C      -3.647491     -6.319372      1.204407
  N      -2.954301     -6.532617      2.501127
  C      -3.442658     -7.795536      3.152657
  C      -3.960463     -7.491795      4.555124
  N      -4.569729     -6.183407      4.453001
  Mo     -3.404002     -4.658452      3.744711
  N      -1.662201     -5.445511      4.488813
  C      -0.826494     -6.345922      3.693836
  C      -1.474955     -6.534567      2.337021
  H      -0.720447     -7.307835      4.225471
  H       0.187362     -5.934030      3.559085
  H      -1.146684     -7.471777      1.859060
  H      -1.207705     -5.699849      1.684831
  H      -4.684408     -8.260323      4.861181
  H      -3.145193     -7.480014      5.295898
  H      -4.267857     -8.182336      2.541988
  H      -2.639973     -8.545542      3.157306
  H      -2.345078     -5.026087      0.047721
  H      -4.061690     -4.562518      0.027358
  H      -3.395703     -7.126748      0.495597
  H      -4.724347     -6.362745      1.413234
  C      -2.580988     -2.814459      1.497477
  C      -2.349924     -2.301146      0.197939
  C      -2.000126     -0.973003      0.039864
  C      -1.893443     -0.107618      1.152364
  C      -2.079931     -0.595975      2.429047
  C      -2.374844     -1.963584      2.619033
  N      -2.549636     -2.572525      3.842292
  C      -2.015788     -2.037984      4.947661
  C      -0.792174     -1.300954      5.127228
  O      -0.499614     -0.623896      6.085720
  Cl      0.520308     -1.645629      3.869507
  C      -5.806438     -5.893511      4.926588
  C      -6.633547     -6.712898      5.727248
  C      -7.896821     -6.264619      6.075122
  C      -8.368725     -5.011833      5.630732
  C      -7.570904     -4.189533      4.853004
  C      -6.269504     -4.605999      4.514274
  N      -5.376346     -3.918065      3.715722
  C      -5.713869     -2.637408      3.315591
  C      -5.651596     -2.254844      1.971925
  O      -5.438679     -2.883639      0.948040
  Cl     -6.056867     -0.428234      1.801848
  C      -1.343538     -5.305775      5.802910
  C      -0.142397     -5.759236      6.404733
  C       0.115560     -5.465076      7.729866
  C      -0.800096     -4.701659      8.489197
  C      -1.994212     -4.285852      7.937143
  C      -2.317418     -4.631304      6.603872
  N      -3.472997     -4.269483      5.954013
  C      -4.562365     -3.826017      6.610155
  C      -5.027690     -4.337164      7.870187
  O      -4.660457     -5.281222      8.531652
  Cl     -6.490922     -3.359651      8.427560
  H      -2.494217     -2.931086     -0.677675
  H      -1.851231     -0.575969     -0.965496
  H      -1.690647      0.952463      0.999343
  H      -2.034254      0.068169      3.292105
  H      -2.502784     -2.248437      5.896618
  H      -6.272336     -7.674464      6.091183
  H      -8.532282     -6.887648      6.705843
  H      -9.373006     -4.686635      5.904244
  H      -7.942404     -3.232778      4.488102
  H      -6.142752     -1.948770      4.044156
  H       0.597355     -6.294420      5.811379
  H       1.055203     -5.786856      8.180977
  H      -0.552520     -4.420690      9.513225
  H      -2.680943     -3.669531      8.513534
  H      -5.211139     -3.123391      6.098878
  N      -7.683584     -5.185606      1.402120
  H      -8.145778     -5.878528      0.808152
  H      -6.723815     -5.095613      1.059355
  H      -8.121962     -4.287149      1.184744
  N       0.648720     -3.928025      1.317890
  N       1.277623     -3.538207      0.500387
77
Coordinates from ORCA-job orca E -7409.253466578165
  N      -3.019691     -4.071974      1.797575
  C      -3.267889     -4.963800      0.669229
  C      -3.649805     -6.324241      1.212924
  N      -2.949232     -6.532933      2.506647
  C      -3.430183     -7.797019      3.161639
  C      -3.955602     -7.491585      4.560876
  N      -4.569271     -6.185471      4.453617
  Mo     -3.404440     -4.658656      3.747201
  N      -1.661732     -5.441416      4.492169
  C      -0.821219     -6.335918      3.695387
  C      -1.470452     -6.527947      2.339111
  H      -0.708829     -7.297683      4.225984
  H       0.189986     -5.917693      3.560233
  H      -1.138590     -7.463919      1.861183
  H      -1.208654     -5.692382      1.685785
  H      -4.677604     -8.262082      4.866473
  H      -3.143195     -7.474619      5.304732
  H      -4.249402     -8.193235      2.548934
  H      -2.621716     -8.540645      3.172836
  H      -2.359069     -5.027562      0.046256
  H      -4.077139     -4.568513      0.037474
  H      -3.398865     -7.132188      0.504603
  H      -4.724850     -6.369345      1.429781
  C      -2.583393     -2.818523      1.497721
  C      -2.352894     -2.307199      0.197434
  C      -2.000778     -0.979815      0.037630
  C      -1.891562     -0.113317      1.148958
  C      -2.077730     -0.599890      2.426466
  C      -2.374687     -1.966689      2.617986
  N      -2.548985     -2.574834      3.841953
  C      -2.011381     -2.041261      4.945968
  C      -0.784839     -1.307960      5.121005
  O      -0.487172     -0.629855      6.077121
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  C      -5.806985     -5.898086      4.926054
  C      -6.633814     -6.719295      5.725166
  C      -7.898403     -6.273274      6.071156
  C      -8.371766     -5.021149      5.626613
  C      -7.574117     -4.196772      4.850828
  C      -6.271451     -4.610840      4.514173
  N      -5.377804     -3.920584      3.717941
  C      -5.715442     -2.638091      3.323308
  C      -5.650600     -2.247072      1.982161
  O      -5.435246     -2.870062      0.955124
  Cl     -6.055626     -0.420180      1.822270
  C      -1.344459     -5.302941      5.806873
  C      -0.142569     -5.754170      6.408686
  C       0.113438     -5.461956      7.734689
  C      -0.804898     -4.702531      8.494598
  C      -1.999509     -4.288243      7.942276
  C      -2.320563     -4.631597      6.607990
  N      -3.475482     -4.269606      5.956966
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  C      -5.033648     -4.337352      7.870274
  O      -4.667842     -5.280728      8.533249
  Cl     -6.498697     -3.359284      8.424119
  H      -2.499531     -2.937597     -0.677472
  H      -1.852036     -0.584254     -0.968337
  H      -1.687070      0.946220      0.994459
  H      -2.029827      0.064896      3.288922
  H      -2.496339     -2.250068      5.896410
  H      -6.271442     -7.680541      6.088748
  H      -8.534082     -6.897712      6.700267
  H      -9.377233     -4.698146      5.898369
  H      -7.946700     -3.240476      4.485856
  H      -6.146258     -1.954171      4.055251
  H       0.599067     -6.286199      5.814873
  H       1.053479     -5.782117      8.186113
  H      -0.559155     -4.423325      9.519559
  H      -2.688007     -3.674725      8.519464
  H      -5.214158     -3.124257      6.098053
  N      -7.684550     -5.164791      1.383069
  H      -8.150571     -5.834456      0.765955
  H      -6.721407     -5.075609      1.049568
  H      -8.110414     -4.254965      1.189421
  N       0.651951     -3.932075      1.280231
  N       1.264212     -3.542482      0.450063
77
Coordinates from ORCA-job orca E -7409.253646775420
  N      -3.024569     -4.076616      1.801351
  C      -3.282442     -4.968536      0.675852
  C      -3.654118     -6.330103      1.225091
  N      -2.941531     -6.532743      2.514238
  C      -3.412351     -7.798603      3.174012
  C      -3.946442     -7.491363      4.569798
  N      -4.566403     -6.188536      4.456010
  Mo     -3.403626     -4.658720      3.750812
  N      -1.659239     -5.435165      4.497382
  C      -0.812780     -6.322204      3.697545
  C      -1.463321     -6.519308      2.342116
  H      -0.692138     -7.283763      4.226759
  H       0.195119     -5.896132      3.561138
  H      -1.127213     -7.454227      1.865224
  H      -1.207784     -5.683888      1.686225
  H      -4.665615     -8.264728      4.874841
  H      -3.137322     -7.467576      5.317333
  H      -4.224861     -8.206909      2.559555
  H      -2.596198     -8.534197      3.192472
  H      -2.381089     -5.028099      0.042859
  H      -4.099198     -4.573900      0.056688
  H      -3.407682     -7.139962      0.517172
  H      -4.726230     -6.375253      1.457611
  C      -2.585915     -2.824598      1.498185
  C      -2.356361     -2.315702      0.197002
  C      -2.000702     -0.989901      0.035342
  C      -1.888169     -0.122344      1.145428
  C      -2.074230     -0.606461      2.423887
  C      -2.373931     -1.971933      2.616937
  N      -2.547905     -2.578919      3.841403
  C      -2.005390     -2.045688      4.943668
  C      -0.773518     -1.319031      5.113416
  O      -0.467088     -0.638587      6.066606
  Cl      0.527245     -1.688177      3.849535
  C      -5.806266     -5.905314      4.924915
  C      -6.633351     -6.729696      5.720509
  C      -7.900799     -6.288151      6.061154
  C      -8.376444     -5.037298      5.615448
  C      -7.578354     -4.209294      4.844120
  C      -6.273211     -4.619027      4.512503
  N      -5.378669     -3.924583      3.720982
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  C      -5.648233     -2.234980      1.998817
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  C      -1.344788     -5.298263      5.813024
  C      -0.142406     -5.746741      6.415906
  C       0.110120     -5.456660      7.743102
  C      -0.812062     -4.701756      8.503165
  C      -2.006785     -4.289710      7.949791
  C      -2.324360     -4.631013      6.614068
  N      -3.478059     -4.269197      5.961431
  C      -4.571144     -3.826075      6.611170
  C      -5.042514     -4.333852      7.870254
  O      -4.679185     -5.274877      8.537768
  Cl     -6.511937     -3.355258      8.414628
  H      -2.505902     -2.946452     -0.677170
  H      -1.851805     -0.596368     -0.971300
  H      -1.681065      0.936078      0.989336
  H      -2.023045      0.058870      3.285745
  H      -2.488706     -2.250313      5.895568
  H      -6.269119     -7.690218      6.084212
  H      -8.537322     -6.915311      6.686550
  H      -9.384257     -4.718296      5.882487
  H      -7.952478     -3.253965      4.478096
  H      -6.150632     -1.962720      4.072873
  H       0.602021     -6.274938      5.822009
  H       1.050275     -5.774681      8.195639
  H      -0.569140     -4.424146      9.529279
  H      -2.697917     -3.679315      8.527233
  H      -5.217893     -3.125831      6.094101
  N      -7.695290     -5.136400      1.360579
  H      -8.166719     -5.772932      0.707122
  H      -6.728293     -5.046669      1.038740
  H      -8.102361     -4.209101      1.203726
  N       0.662075     -3.939365      1.218254
  N       1.249285     -3.546463      0.371148
77
Coordinates from ORCA-job orca E -7409.253649595697
  N      -3.032238     -4.085392      1.806221
  C      -3.309616     -4.977451      0.685966
  C      -3.666005     -6.340238      1.244706
  N      -2.934384     -6.534611      2.524987
  C      -3.391284     -7.802357      3.191664
  C      -3.942747     -7.490689      4.579929
  N      -4.569686     -6.192027      4.454143
  Mo     -3.404588     -4.661795      3.756568
  N      -1.655594     -5.426059      4.499908
  C      -0.803397     -6.305100      3.696366
  C      -1.457768     -6.511612      2.343687
  H      -0.671399     -7.264602      4.226148
  H       0.199760     -5.870179      3.555082
  H      -1.117910     -7.446330      1.869697
  H      -1.210706     -5.678549      1.681924
  H      -4.659888     -8.266924      4.882186
  H      -3.141257     -7.457180      5.335636
  H      -4.190773     -8.230403      2.572442
  H      -2.563189     -8.524792      3.224514
  H      -2.422236     -5.033166      0.034761
  H      -4.138283     -4.581798      0.088259
  H      -3.428699     -7.153414      0.537036
  H      -4.732935     -6.383341      1.502782
  C      -2.586175     -2.837357      1.497720
  C      -2.352237     -2.335230      0.194692
  C      -1.989780     -1.012417      0.027774
  C      -1.876331     -0.139709      1.133334
  C      -2.066788     -0.616772      2.413440
  C      -2.370485     -1.979964      2.612260
  N      -2.547255     -2.580928      3.838665
  C      -2.005753     -2.047602      4.939342
  C      -0.778768     -1.315389      5.107850
  O      -0.481608     -0.623604      6.051708
  Cl      0.525257     -1.702278      3.860145
  C      -5.812304     -5.912862      4.917971
  C      -6.643464     -6.742097      5.703898
  C      -7.913561     -6.304015      6.037530
  C      -8.387332     -5.051744      5.595442
  C      -7.584857     -4.218396      4.834849
  C      -6.278046     -4.625504      4.509297
  N      -5.379832     -3.926422      3.726804
  C      -5.712890     -2.633934      3.359507
  C      -5.637459     -2.206357      2.029381
  O      -5.414341     -2.804361      0.988340
  Cl     -6.038451     -0.376246      1.914987
  C      -1.338997     -5.286729      5.815118
  C      -0.133294     -5.727129      6.416177
  C       0.116388     -5.439696      7.744780
  C      -0.812121     -4.694911      8.506819
  C      -2.009304     -4.288365      7.954046
  C      -2.323063     -4.626898      6.616970
  N      -3.478155     -4.271010      5.964255
  C      -4.574610     -3.834583      6.614810
  C      -5.045367     -4.352030      7.867789
  O      -4.678654     -5.293474      8.531778
  Cl     -6.522774     -3.384901      8.414166
  H      -2.503359     -2.968570     -0.677064
  H      -1.836678     -0.624824     -0.980333
  H      -1.665860      0.917036      0.972220
  H      -2.015751      0.052497      3.271745
  H      -2.485289     -2.255460      5.891304
  H      -6.281025     -7.704187      6.064244
  H      -8.554087     -6.935462      6.654163
  H      -9.397380     -4.736119      5.856180
  H      -7.957302     -3.261931      4.470943
  H      -6.149034     -1.969129      4.105673
  H       0.614919     -6.249018      5.821207
  H       1.058251     -5.752931      8.197070
  H      -0.573065     -4.420947      9.534852
  H      -2.705878     -3.686497      8.534018
  H      -5.223002     -3.134992      6.099833
  N      -7.699897     -5.103026      1.338985
  H      -8.169990     -5.695781      0.658248
  H      -6.731238     -5.017271      1.026726
  H      -8.087270     -4.168876      1.225986
  N       0.669169     -3.949433      1.164708
  N       1.231089     -3.552631      0.310555
77
Coordinates from ORCA-job orca E -7409.253823487579
  N      -3.036940     -4.088868      1.809915
  C      -3.320322     -4.984413      0.692854
  C      -3.667842     -6.346776      1.258590
  N      -2.926433     -6.534898      2.533676
  C      -3.373045     -7.802478      3.206391
  C      -3.934373     -7.488692      4.589814
  N      -4.566768     -6.193404      4.456736
  Mo     -3.402993     -4.660578      3.760594
  N      -1.652235     -5.418531      4.504742
  C      -0.794888     -6.290057      3.698417
  C      -1.451267     -6.502923      2.347367
  H      -0.653265     -7.248023      4.227752
  H       0.203306     -5.846201      3.553918
  H      -1.106712     -7.436530      1.874249
  H      -1.210952     -5.669774      1.683229
  H      -4.648827     -8.267494      4.891740
  H      -3.137242     -7.448197      5.349188
  H      -4.163063     -8.243291      2.586347
  H      -2.538253     -8.514525      3.248090
  H      -2.437061     -5.039901      0.034463
  H      -4.156236     -4.590236      0.100093
  H      -3.434349     -7.161466      0.552251
  H      -4.731356     -6.390882      1.529502
  C      -2.589676     -2.841359      1.498233
  C      -2.356383     -2.341273      0.194231
  C      -1.992834     -1.017982      0.025307
  C      -1.876137     -0.143891      1.129834
  C      -2.064295     -0.619891      2.410995
  C      -2.370952     -1.982582      2.611510
  N      -2.545447     -2.582490      3.838965
  C      -1.996947     -2.050914      4.937506
  C      -0.762737     -1.327823      5.096840
  O      -0.453295     -0.641038      6.040214
  Cl      0.531300     -1.718248      3.832535
  C      -5.811678     -5.918474      4.916682
  C      -6.643657     -6.750198      5.699410
  C      -7.916201     -6.315205      6.028684
  C      -8.391547     -5.063596      5.585932
  C      -7.588387     -4.227701      4.828689
  C      -6.279450     -4.631857      4.507165
  N      -5.380757     -3.929425      3.728413
  C      -5.714369     -2.634802      3.369263
  C      -5.636695     -2.197740      2.044006
  O      -5.413232     -2.788061      0.999393
  Cl     -6.034763     -0.368980      1.945462
  C      -1.338742     -5.281530      5.821171
  C      -0.133404     -5.721205      6.424076
  C       0.111142     -5.441074      7.755325
  C      -0.821594     -4.703016      8.518049
  C      -2.017769     -4.294983      7.962894
  C      -2.326711     -4.627047      6.623068
  N      -3.480222     -4.268905      5.967999
  C      -4.579312     -3.832241      6.614040
  C      -5.056232     -4.348565      7.865679
  O      -4.693410     -5.289012      8.533372
  Cl     -6.537561     -3.379954      8.402619
  H      -2.509459     -2.975594     -0.676792
  H      -1.840790     -0.631444     -0.983626
  H      -1.665033      0.913473      0.967059
  H      -2.009778      0.049710      3.269170
  H      -2.473788     -2.258255      5.894054
  H      -6.280396     -7.711880      6.060264
  H      -8.557827     -6.948694      6.642288
  H      -9.403648     -4.750626      5.843247
  H      -7.961807     -3.271578      4.464337
  H      -6.151531     -1.975242      4.119847
  H       0.617838     -6.238698      5.829388
  H       1.052134     -5.755484      8.209550
  H      -0.587079     -4.435161      9.548789
  H      -2.716957     -3.698149      8.544326
  H      -5.225779     -3.133185      6.095563
  N      -7.711061     -5.081233      1.315793
  H      -8.182260     -5.639101      0.607230
  H      -6.737529     -4.996134      1.013623
  H      -8.083322     -4.135443      1.236485
  N       0.679268     -3.956425      1.105424
  N       1.211957     -3.550134      0.224025
77
Coordinates from ORCA-job orca E -7409.253836996982
  N      -3.035104     -4.087448      1.809162
  C      -3.316145     -4.983690      0.691310
  C      -3.664138     -6.346116      1.256572
  N      -2.923852     -6.534817      2.532634
  C      -3.366591     -7.803130      3.206138
  C      -3.927476     -7.491472      4.589607
  N      -4.562949     -6.197660      4.456635
  Mo     -3.403179     -4.659764      3.759471
  N      -1.654856     -5.419609      4.508055
  C      -0.792844     -6.282923      3.699134
  C      -1.448935     -6.495986      2.346825
  H      -0.644549     -7.241547      4.225586
  H       0.201550     -5.830590      3.555479
  H      -1.100072     -7.427543      1.871499
  H      -1.212031     -5.659668      1.684238
  H      -4.639184     -8.272327      4.892945
  H      -3.129650     -7.449288      5.347553
  H      -4.154606     -8.246074      2.587600
  H      -2.530873     -8.511473      3.248047
  H      -2.429335     -5.040522      0.033168
  H      -4.155539     -4.589703      0.092491
  H      -3.428185     -7.158472      0.549828
  H      -4.727959     -6.395313      1.523951
  C      -2.588305     -2.839561      1.499860
  C      -2.358215     -2.335701      0.196587
  C      -1.996348     -1.010586      0.031159
  C      -1.875284     -0.140492      1.139325
  C      -2.058983     -0.621195      2.419926
  C      -2.368872     -1.984512      2.616400
  N      -2.546791     -2.586692      3.841689
  C      -1.998239     -2.056293      4.943224
  C      -0.752547     -1.352910      5.108267
  O      -0.426738     -0.675764      6.060518
  Cl      0.535639     -1.754638      3.837054
  C      -5.806430     -5.923782      4.922266
  C      -6.630907     -6.752784      5.716659
  C      -7.902168     -6.317092      6.056365
  C      -8.384605     -5.068621      5.610369
  C      -7.589087     -4.236308      4.839436
  C      -6.279812     -4.639142      4.510144
  N      -5.385818     -3.937009      3.722350
  C      -5.724762     -2.644508      3.355418
  C      -5.649286     -2.214213      2.021527
  O      -5.424159     -2.811249      0.977496
  Cl     -6.055722     -0.384265      1.907312
  C      -1.346499     -5.287181      5.825308
  C      -0.141950     -5.727227      6.429225
  C       0.102807     -5.444050      7.759218
  C      -0.829133     -4.703638      8.520775
  C      -2.025237     -4.297635      7.965684
  C      -2.334668     -4.631631      6.626329
  N      -3.486515     -4.270478      5.969385
  C      -4.584405     -3.827084      6.610490
  C      -5.064657     -4.328941      7.868891
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  Cl     -6.539552     -3.344935      8.395928
  H      -2.514698     -2.967159     -0.676266
  H      -1.848756     -0.619587     -0.977186
  H      -1.664569      0.918180      0.979690
  H      -2.001154      0.045366      3.281411
  H      -2.484577     -2.252983      5.895699
  H      -6.262011     -7.711458      6.081299
  H      -8.537269     -6.947434      6.681060
  H      -9.396013     -4.754814      5.876644
  H      -7.968055     -3.282032      4.474468
  H      -6.166444     -1.982062      4.103278
  H       0.609755     -6.243063      5.834418
  H       1.044182     -5.755981      8.212886
  H      -0.593600     -4.431385      9.549909
  H      -2.722049     -3.697204      8.545951
  H      -5.227599     -3.128711      6.086588
  N      -7.714032     -5.067134      1.287724
  H      -8.193146     -5.606725      0.550865
  H      -6.732788     -4.979651      0.993155
  H      -8.076749     -4.105893      1.224127
  N       0.679610     -3.963132      1.067072
  N       1.201494     -3.554552      0.186090
77
Coordinates from ORCA-job orca E -7409.253572205336
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  C      -3.328667     -4.987797      0.695922
  C      -3.671143     -6.350380      1.265712
  N      -2.922604     -6.537227      2.537080
  C      -3.359371     -7.805734      3.213631
  C      -3.926407     -7.491734      4.594278
  N      -4.564448     -6.199717      4.456245
  Mo     -3.404339     -4.661219      3.761966
  N      -1.655490     -5.416223      4.509572
  C      -0.790585     -6.276036      3.699298
  C      -1.448516     -6.493977      2.347976
  H      -0.635720     -7.233284      4.226592
  H       0.201016     -5.817870      3.552774
  H      -1.097205     -7.425238      1.874129
  H      -1.215357     -5.658343      1.683647
  H      -4.637583     -8.273261      4.896963
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  H      -2.518660     -8.509152      3.261068
  H      -2.447966     -5.045492      0.032118
  H      -4.171215     -4.594424      0.102767
  H      -3.440195     -7.163686      0.557901
  H      -4.732543     -6.400279      1.541074
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  C      -2.356791     -2.347527      0.192079
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  C      -2.048338     -0.628521      2.409743
  C      -2.365017     -1.988767      2.610887
  N      -2.545618     -2.585957      3.837705
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  C      -0.749461     -1.353449      5.100956
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  C      -6.635972     -6.762839      5.704186
  C      -7.909674     -6.332284      6.036719
  C      -8.393010     -5.084844      5.589735
  C      -7.595952     -4.248495      4.825569
  C      -6.284928     -4.647230      4.501581
  N      -5.389168     -3.938242      3.724198
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  C      -0.139425     -5.712508      6.429479
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  C      -2.027621     -4.287184      7.965058
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  N      -3.489177     -4.270017      5.969061
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  C      -5.066506     -4.336236      7.867750
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  H      -2.516510     -2.980696     -0.678597
  H      -1.833518     -0.642400     -0.986652
  H      -1.640021      0.898692      0.964710
  H      -1.986384      0.039842      3.268761
  H      -2.482548     -2.246125      5.887824
  H      -6.266699     -7.720764      6.069809
  H      -8.545945     -6.965715      6.656508
  H      -9.405958     -4.775110      5.850157
  H      -7.975358     -3.294623      4.460669
  H      -6.175971     -1.998870      4.134232
  H       0.614181     -6.226286      5.834858
  H       1.048561     -5.729573      8.211427
  H      -0.594724     -4.409602      9.547858
  H      -2.726584     -3.688886      8.545477
  H      -5.236533     -3.136657      6.086582
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  H      -6.731450     -4.965410      0.985036
  H      -8.069641     -4.086940      1.229708
  N       0.677762     -3.972691      1.041366
  N       1.188318     -3.563849      0.157877
77
Coordinates from ORCA-job orca E -7409.253798144799
  N      -3.050061     -4.090626      1.817493
  C      -3.351648     -4.987911      0.708618
  C      -3.681925     -6.351366      1.283400
  N      -2.919711     -6.535328      2.546457
  C      -3.350249     -7.805879      3.224598
  C      -3.930573     -7.489641      4.600923
  N      -4.569364     -6.197648      4.458732
  Mo     -3.405781     -4.661544      3.771279
  N      -1.651728     -5.408068      4.511701
  C      -0.785095     -6.265765      3.699703
  C      -1.446768     -6.488890      2.350867
  H      -0.624357     -7.221984      4.228449
  H       0.205406     -5.804021      3.549498
  H      -1.095225     -7.420689      1.879215
  H      -1.217761     -5.655261      1.683422
  H      -4.644201     -8.271243      4.897532
  H      -3.141673     -7.443073      5.369813
  H      -4.126282     -8.267863      2.596350
  H      -2.501041     -8.504189      3.281837
  H      -2.483323     -5.043355      0.035595
  H      -4.196915     -4.598401      0.129686
  H      -3.458973     -7.165570      0.573333
  H      -4.737893     -6.401836      1.575478
  C      -2.595284     -2.848760      1.499790
  C      -2.362420     -2.355306      0.193136
  C      -1.978567     -1.042882      0.018376
  C      -1.847518     -0.167629      1.118782
  C      -2.042762     -0.632155      2.401842
  C      -2.364576     -1.988711      2.609333
  N      -2.542801     -2.580825      3.839481
  C      -1.989225     -2.051592      4.936072
  C      -0.749821     -1.340575      5.090713
  O      -0.434087     -0.650558      6.024202
  Cl      0.536504     -1.753374      3.831884
  C      -5.816953     -5.928749      4.914510
  C      -6.650077     -6.767582      5.687309
  C      -7.927293     -6.342325      6.005712
  C      -8.405611     -5.092305      5.563591
  C      -7.600172     -4.247376      4.820077
  C      -6.287132     -4.642301      4.508612
  N      -5.387837     -3.932240      3.738685
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  C      -0.127319     -5.696973      6.428710
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  C      -2.022998     -4.287552      7.970004
  C      -2.328748     -4.620196      6.630067
  N      -3.484357     -4.269880      5.974401
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  C      -5.059824     -4.368941      7.868797
  O      -4.690450     -5.310197      8.530223
  Cl     -6.548194     -3.415934      8.411545
  H      -2.524927     -2.990342     -0.674571
  H      -1.820781     -0.664848     -0.992019
  H      -1.617727      0.880202      0.950873
  H      -1.976642      0.038030      3.256916
  H      -2.465103     -2.252290      5.891040
  H      -6.286538     -7.729681      6.045842
  H      -8.570856     -6.983196      6.608391
  H      -9.421225     -4.788461      5.809668
  H      -7.975978     -3.292864      4.455690
  H      -6.167564     -1.984918      4.144483
  H       0.628435     -6.207536      5.833063
  H       1.059642     -5.721219      8.213010
  H      -0.591981     -4.417015      9.555358
  H      -2.726673     -3.697897      8.553960
  H      -5.237233     -3.144540      6.107924
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  H      -6.733176     -4.950803      0.992396
  H      -8.059627     -4.078626      1.255545
  N       0.676338     -3.975620      1.030358
  N       1.172383     -3.562789      0.134858
77
Coordinates from ORCA-job orca E -7409.254083664101
  N      -3.042101     -4.092011      1.813240
  C      -3.339108     -4.989471      0.700869
  C      -3.674941     -6.352048      1.273057
  N      -2.920546     -6.537197      2.540878
  C      -3.353364     -7.805773      3.219292
  C      -3.926996     -7.491285      4.597470
  N      -4.565678     -6.199726      4.457391
  Mo     -3.404331     -4.661069      3.765955
  N      -1.652779     -5.412372      4.509629
  C      -0.786315     -6.268571      3.697461
  C      -1.447150     -6.490676      2.348347
  H      -0.625054     -7.224396      4.224889
  H       0.202652     -5.806343      3.547382
  H      -1.094418     -7.421966      1.876185
  H      -1.217747     -5.656113      1.681806
  H      -4.638443     -8.273472      4.897946
  H      -3.134827     -7.444467      5.361471
  H      -4.131448     -8.262804      2.596956
  H      -2.509139     -8.504325      3.272417
  H      -2.464410     -5.046411      0.030269
  H      -4.185139     -4.597112      0.115634
  H      -3.445580     -7.165179      0.564161
  H      -4.734046     -6.405791      1.554101
  C      -2.588812     -2.848146      1.499817
  C      -2.356379     -2.349736      0.194630
  C      -1.988908     -1.025996      0.024216
  C      -1.863584     -0.151762      1.129092
  C      -2.047144     -0.628172      2.411379
  C      -2.363609     -1.990111      2.613549
  N      -2.545425     -2.586049      3.841273
  C      -1.997881     -2.055652      4.942308
  C      -0.751054     -1.354924      5.107085
  O      -0.425407     -0.678904      6.058592
  Cl      0.539313     -1.764055      3.839404
  C      -5.812003     -5.929145      4.917656
  C      -6.639972     -6.762417      5.703381
  C      -7.914392     -6.331315      6.034592
  C      -8.396100     -5.082216      5.590303
  C      -7.596500     -4.244496      4.830330
  C      -6.285092     -4.643805      4.508200
  N      -5.388730     -3.937253      3.728739
  C      -5.722200     -2.640618      3.376309
  C      -5.635624     -2.193632      2.050150
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  Cl     -6.024265     -0.361524      1.962833
  C      -1.341740     -5.276473      5.826548
  C      -0.134013     -5.709771      6.429325
  C       0.109344     -5.427949      7.760229
  C      -0.826794     -4.693900      8.522681
  C      -2.025247     -4.292137      7.967760
  C      -2.332891     -4.625830      6.628210
  N      -3.487260     -4.271265      5.971910
  C      -4.587635     -3.833297      6.614810
  C      -5.066245     -4.341587      7.870125
  O      -4.704327     -5.277702      8.545837
  Cl     -6.549485     -3.368862      8.397796
  H      -2.516066     -2.983929     -0.675824
  H      -1.840728     -0.638513     -0.985625
  H      -1.651658      0.908168      0.964879
  H      -1.987588      0.041671      3.270216
  H      -2.485953     -2.254407      5.896045
  H      -6.272947     -7.722253      6.066241
  H      -8.552754     -6.966104      6.650794
  H      -9.409823     -4.772481      5.848906
  H      -7.974724     -3.289698      4.466244
  H      -6.165670     -1.985074      4.130235
  H       0.620489     -6.222027      5.834291
  H       1.052364     -5.737115      8.213786
  H      -0.593889     -4.423485      9.552982
  H      -2.725525     -3.697389      8.549947
  H      -5.234633     -3.137472      6.091903
  N      -7.718282     -5.049989      1.266095
  H      -8.191787     -5.552447      0.511379
  H      -6.736959     -4.963624      0.979840
  H      -8.071267     -4.090148      1.238103
  N       0.684840     -3.973398      1.026124
  N       1.184350     -3.554995      0.136471
77
Coordinates from ORCA-job orca E -7409.254176671790
  N      -3.045844     -4.090953      1.815138
  C      -3.343288     -4.989355      0.704555
  C      -3.678145     -6.352011      1.277812
  N      -2.920334     -6.537204      2.543796
  C      -3.348431     -7.806617      3.223337
  C      -3.928389     -7.491989      4.599080
  N      -4.568255     -6.201252      4.456593
  Mo     -3.406813     -4.661358      3.768774
  N      -1.654575     -5.410379      4.512020
  C      -0.785519     -6.262224      3.698336
  C      -1.447457     -6.486623      2.349483
  H      -0.618466     -7.217515      4.225126
  H       0.200736     -5.794358      3.547008
  H      -1.092499     -7.417172      1.877127
  H      -1.220705     -5.651187      1.682845
  H      -4.640227     -8.274839      4.896813
  H      -3.139358     -7.444184      5.366396
  H      -4.120945     -8.270373      2.598661
  H      -2.499877     -8.499709      3.281649
  H      -2.468513     -5.047859      0.033504
  H      -4.190096     -4.598011      0.117745
  H      -3.451469     -7.164765      0.567926
  H      -4.736608     -6.406593      1.560621
  C      -2.589710     -2.849090      1.500696
  C      -2.356337     -2.352736      0.195027
  C      -1.976129     -1.036159      0.023776
  C      -1.843977     -0.163404      1.127923
  C      -2.035482     -0.633698      2.410140
  C      -2.360459     -1.991843      2.613711
  N      -2.545333     -2.585034      3.841715
  C      -1.995909     -2.054735      4.941722
  C      -0.746379     -1.359989      5.104798
  O      -0.418774     -0.678766      6.048447
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  C      -5.814918     -5.932523      4.915788
  C      -6.642338     -6.767814      5.699703
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  C      -8.400620     -5.091002      5.585552
  C      -7.601317     -4.251213      4.827629
  C      -6.288941     -4.647676      4.506948
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  C      -5.643483     -2.187618      2.062034
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  Cl     -6.053260     -0.356941      1.976902
  C      -1.342444     -5.271858      5.828149
  C      -0.132454     -5.698636      6.429147
  C       0.112271     -5.411789      7.758698
  C      -0.825596     -4.680873      8.521705
  C      -2.026522     -4.286354      7.968574
  C      -2.334321     -4.622800      6.629837
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  C      -5.065103     -4.355520      7.872928
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  Cl     -6.550956     -3.393076      8.407210
  H      -2.519924     -2.986134     -0.674587
  H      -1.821846     -0.653110     -0.985947
  H      -1.617319      0.888345      0.963246
  H      -1.969577      0.035093      3.268140
  H      -2.484398     -2.245374      5.892258
  H      -6.274605     -7.727352      6.062373
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  H      -9.414967     -4.783408      5.842791
  H      -7.980393     -3.296728      4.464243
  H      -6.178609     -1.991755      4.133456
  H       0.623274     -6.207654      5.833264
  H       1.057429     -5.714355      8.210310
  H      -0.592312     -4.406717      9.550914
  H      -2.728145     -3.693598      8.551190
  H      -5.242049     -3.146420      6.100255
  N      -7.722430     -5.034746      1.256672
  H      -8.199238     -5.522830      0.489687
  H      -6.738789     -4.949759      0.973823
  H      -8.070020     -4.069880      1.242075
  N       0.684590     -3.979874      1.006564
  N       1.174828     -3.560672      0.112553
77
Coordinates from ORCA-job orca E -7409.254249164032
  N      -3.050084     -4.093413      1.817238
  C      -3.355137     -4.991939      0.709347
  C      -3.683382     -6.355316      1.285301
  N      -2.918973     -6.538356      2.547492
  C      -3.342146     -7.808352      3.229061
  C      -3.928887     -7.492614      4.602165
  N      -4.570345     -6.202928      4.456285
  Mo     -3.408347     -4.662524      3.771700
  N      -1.654469     -5.406989      4.512732
  C      -0.782850     -6.255064      3.697418
  C      -1.446731     -6.483736      2.349819
  H      -0.609526     -7.209387      4.224544
  H       0.201016     -5.782134      3.543536
  H      -1.089796     -7.414102      1.878831
  H      -1.223488     -5.649050      1.681248
  H      -4.640790     -8.276175      4.897842
  H      -3.142916     -7.442807      5.372842
  H      -4.109902     -8.279210      2.601986
  H      -2.489054     -8.496809      3.293128
  H      -2.486462     -5.049352      0.032079
  H      -4.205516     -4.601756      0.129653
  H      -3.459084     -7.168058      0.574305
  H      -4.739852     -6.412855      1.574556
  C      -2.590591     -2.853542      1.500666
  C      -2.356353     -2.359782      0.194034
  C      -1.971878     -1.044767      0.020406
  C      -1.836710     -0.170397      1.122932
  C      -2.029137     -0.638076      2.405921
  C      -2.358012     -1.995126      2.612230
  N      -2.545356     -2.585394      3.841299
  C      -1.996458     -2.055371      4.941223
  C      -0.746482     -1.362160      5.104561
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  Cl      0.541497     -1.786666      3.843827
  C      -5.818172     -5.935609      4.913288
  C      -6.647015     -6.773077      5.693128
  C      -7.923727     -6.347152      6.019123
  C      -8.406612     -5.098528      5.575913
  C      -7.605529     -4.255925      4.823389
  C      -6.292097     -4.650413      4.505994
  N      -5.394544     -3.937936      3.734279
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  C      -5.635368     -2.177145      2.078466
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  Cl     -6.027667     -0.345914      2.012965
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  C      -0.128660     -5.687975      6.428677
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  C      -0.824254     -4.672218      8.521554
  C      -2.026869     -4.281533      7.968895
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  N      -3.491713     -4.273636      5.975196
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  C      -5.066084     -4.362306      7.874191
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  H      -2.522492     -2.994035     -0.674369
  H      -1.816906     -0.663646     -0.990014
  H      -1.607829      0.881056      0.956125
  H      -1.961783      0.032265      3.262455
  H      -2.485809     -2.246814      5.892453
  H      -6.279904     -7.733152      6.054682
  H      -8.562968     -6.986020      6.629729
  H      -9.422079     -4.793195      5.829223
  H      -7.984429     -3.301376      4.460327
  H      -6.176798     -1.993154      4.149413
  H       0.628492     -6.195129      5.832585
  H       1.062263     -5.699841      8.209558
  H      -0.591765     -4.397554      9.550873
  H      -2.730536     -3.691398      8.552006
  H      -5.246736     -3.151552      6.103212
  N      -7.721539     -5.025114      1.244999
  H      -8.196278     -5.494072      0.469424
  H      -6.737939     -4.940975      0.966453
  H      -8.064105     -4.061567      1.248755
  N       0.685215     -3.985940      0.986336
  N       1.163856     -3.562721      0.088353
77
Coordinates from ORCA-job orca E -7409.254347337370
  N      -3.053509     -4.095426      1.819639
  C      -3.366272     -4.994183      0.714118
  C      -3.689159     -6.357972      1.291844
  N      -2.919568     -6.539781      2.550722
  C      -3.337308     -7.809906      3.234392
  C      -3.932793     -7.493434      4.604036
  N      -4.574809     -6.204548      4.455006
  Mo     -3.411464     -4.663392      3.775498
  N      -1.655262     -5.403635      4.512313
  C      -0.781036     -6.246694      3.694721
  C      -1.448170     -6.480954      2.349319
  H      -0.598438     -7.199207      4.222128
  H       0.199131     -5.767126      3.536480
  H      -1.089059     -7.411384      1.880400
  H      -1.229278     -5.647355      1.678278
  H      -4.645533     -8.277556      4.896235
  H      -3.150904     -7.442566      5.378887
  H      -4.097891     -8.289573      2.604770
  H      -2.479116     -8.491428      3.306476
  H      -2.502896     -5.051984      0.031177
  H      -4.219732     -4.604508      0.139987
  H      -3.465891     -7.169988      0.579363
  H      -4.744575     -6.421105      1.582730
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  C      -2.351108     -2.367282      0.194686
  C      -1.960793     -1.053402      0.019250
  C      -1.821291     -0.177825      1.120869
  C      -2.015166     -0.643885      2.404345
  C      -2.351420     -1.999686      2.613036
  N      -2.545856     -2.585644      3.842999
  C      -2.000847     -2.055196      4.944300
  C      -0.748624     -1.367032      5.112552
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  Cl      0.544972     -1.798370      3.857717
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  C      -6.653455     -6.776798      5.687885
  C      -7.930976     -6.352062      6.012292
  C      -8.413504     -5.102768      5.570743
  C      -7.610886     -4.258290      4.821978
  C      -6.296976     -4.651929      4.506137
  N      -5.398316     -3.937318      3.738195
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  C      -5.632132     -2.168865      2.087400
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  C      -0.122100     -5.673731      6.424967
  C       0.123997     -5.383963      7.753940
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  C      -2.023812     -4.274457      7.967458
  C      -2.332491     -4.614995      6.630113
  N      -3.493731     -4.276293      5.977120
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  C      -5.064238     -4.374495      7.879290
  O      -4.686215     -5.309449      8.547690
  Cl     -6.560053     -3.428211      8.417970
  H      -2.520772     -3.002067     -0.672784
  H      -1.804944     -0.673265     -0.991724
  H      -1.589734      0.874580      0.952443
  H      -1.946453      0.028218      3.259618
  H      -2.496471     -2.244076      5.894174
  H      -6.287228     -7.737636      6.048217
  H      -8.570971     -6.992572      6.620278
  H      -9.429512     -4.798332      5.822305
  H      -7.989121     -3.302832      4.460371
  H      -6.182672     -1.994121      4.156659
  H       0.636153     -6.178638      5.828003
  H       1.072910     -5.679668      8.203833
  H      -0.584873     -4.383566      9.547133
  H      -2.729374     -3.687303      8.551409
  H      -5.254131     -3.161585      6.110869
  N      -7.727466     -5.022238      1.228330
  H      -8.199810     -5.468360      0.441750
  H      -6.743722     -4.936226      0.954927
  H      -8.067831     -4.060322      1.255146
  N       0.692551     -3.992429      0.965701
  N       1.158637     -3.559983      0.065204
77
Coordinates from ORCA-job orca E -7409.254513743816
  N      -3.062306     -4.098079      1.824323
  C      -3.385388     -4.997021      0.722306
  C      -3.701164     -6.361928      1.300118
  N      -2.925597     -6.543566      2.554954
  C      -3.333190     -7.814155      3.241458
  C      -3.948075     -7.497573      4.603429
  N      -4.589538     -6.209443      4.449469
  Mo     -3.422667     -4.666694      3.783134
  N      -1.661305     -5.398420      4.510215
  C      -0.781632     -6.230480      3.688301
  C      -1.455320     -6.476553      2.347594
  H      -0.578136     -7.178331      4.216470
  H       0.189679     -5.736037      3.520385
  H      -1.091556     -7.407174      1.882941
  H      -1.244214     -5.644804      1.671965
  H      -4.663729     -8.282546      4.886106
  H      -3.175599     -7.446723      5.387742
  H      -4.076906     -8.311965      2.605864
  H      -2.464863     -8.480109      3.331492
  H      -2.528111     -5.056548      0.031935
  H      -4.242865     -4.608135      0.153610
  H      -3.476903     -7.170846      0.583665
  H      -4.757143     -6.439500      1.584533
  C      -2.583410     -2.867845      1.506851
  C      -2.339656     -2.381193      0.198244
  C      -1.928701     -1.074320      0.020669
  C      -1.775900     -0.199110      1.121528
  C      -1.979554     -0.659324      2.405043
  C      -2.337013     -2.010198      2.617426
  N      -2.550639     -2.586155      3.848359
  C      -2.016611     -2.054182      4.953775
  C      -0.758237     -1.380676      5.136816
  O      -0.435703     -0.704676      6.084513
  Cl      0.549097     -1.830617      3.900789
  C      -5.839160     -5.942860      4.904785
  C      -6.670812     -6.784670      5.676716
  C      -7.949154     -6.361530      6.000952
  C      -8.430936     -5.110211      5.564505
  C      -7.625838     -4.262147      4.822232
  C      -6.311351     -4.654600      4.506802
  N      -5.410061     -3.935948      3.745937
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  O      -5.397128     -2.715465      1.041921
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  C      -1.333670     -5.238885      5.820961
  C      -0.107176     -5.632103      6.411352
  C       0.146031     -5.328687      7.736012
  C      -0.800356     -4.613283      8.503136
  C      -2.015996     -4.249560      7.959394
  C      -2.330095     -4.602551      6.626701
  N      -3.501612     -4.285218      5.980746
  C      -4.604328     -3.876616      6.643722
  C      -5.053935     -4.414668      7.894315
  O      -4.653168     -5.346761      8.554109
  Cl     -6.560668     -3.498055      8.451571
  H      -2.518668     -3.015511     -0.667782
  H      -1.766070     -0.697971     -0.990600
  H      -1.527431      0.849043      0.951550
  H      -1.904348      0.014688      3.258132
  H      -2.530062     -2.231382      5.896979
  H      -6.306354     -7.747443      6.033629
  H      -8.589760     -7.005185      6.604906
  H      -9.447505     -4.806639      5.815100
  H      -8.002854     -3.304369      4.465216
  H      -6.184086     -1.989802      4.177163
  H       0.653391     -6.130016      5.811569
  H       1.103120     -5.606575      8.179596
  H      -0.562825     -4.326277      9.527923
  H      -2.725964     -3.668883      8.544574
  H      -5.277013     -3.194477      6.135863
  N      -7.746034     -5.023939      1.192476
  H      -8.216798     -5.426246      0.382592
  H      -6.760926     -4.931444      0.928002
  H      -8.086453     -4.065178      1.264578
  N       0.708326     -4.005697      0.931418
  N       1.150856     -3.552434      0.028742
77
Coordinates from ORCA-job orca E -7409.254645708777
  N      -3.069795     -4.102678      1.829327
  C      -3.404029     -5.000455      0.730434
  C      -3.710826     -6.368227      1.309311
  N      -2.928697     -6.546013      2.560688
  C      -3.325040     -7.817492      3.251283
  C      -3.958037     -7.500403      4.605478
  N      -4.601228     -6.214210      4.444535
  Mo     -3.431939     -4.669719      3.789296
  N      -1.665630     -5.392830      4.509386
  C      -0.780927     -6.214815      3.682987
  C      -1.459598     -6.471272      2.346383
  H      -0.560501     -7.159068      4.211258
  H       0.182544     -5.707854      3.507608
  H      -1.092409     -7.402212      1.885035
  H      -1.255173     -5.641931      1.665749
  H      -4.674845     -8.287058      4.880466
  H      -3.194535     -7.446719      5.398367
  H      -4.052691     -8.333237      2.611419
  H      -2.447035     -8.467884      3.357572
  H      -2.554466     -5.057777      0.029666
  H      -4.268673     -4.611686      0.171746
  H      -3.484627     -7.175388      0.591025
  H      -4.766995     -6.456084      1.594487
  C      -2.578111     -2.878650      1.510870
  C      -2.328186     -2.396588      0.201275
  C      -1.899873     -1.095616      0.021820
  C      -1.735965     -0.220596      1.121733
  C      -1.948101     -0.675616      2.405501
  C      -2.323528     -2.021671      2.620699
  N      -2.553532     -2.589414      3.852004
  C      -2.027066     -2.056928      4.960417
  C      -0.763912     -1.395342      5.154487
  O      -0.443646     -0.719782      6.103700
  Cl      0.553767     -1.864424      3.933693
  C      -5.852053     -5.949090      4.898025
  C      -6.684955     -6.793579      5.665723
  C      -7.964147     -6.371867      5.989591
  C      -8.445515     -5.119238      5.556752
  C      -7.638598     -4.268411      4.819063
  C      -6.323573     -4.659720      4.504375
  N      -5.419435     -3.935645      3.751784
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  C      -5.616788     -2.135603      2.128729
  O      -5.383785     -2.683599      1.065005
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  C      -0.094546     -5.595838      6.400404
  C       0.164049     -5.281334      7.721443
  C      -0.786521     -4.574151      8.491174
  C      -2.010325     -4.228817      7.953766
  C      -2.328506     -4.591871      6.624738
  N      -3.508161     -4.292487      5.984560
  C      -4.611764     -3.896642      6.656141
  C      -5.048170     -4.445972      7.905924
  O      -4.629988     -5.374565      8.560936
  Cl     -6.566050     -3.553627      8.473987
  H      -2.516167     -3.029718     -0.663639
  H      -1.731894     -0.722466     -0.989884
  H      -1.473936      0.824391      0.950230
  H      -1.867301      0.000266      3.256590
  H      -2.553716     -2.224267      5.899150
  H      -6.320988     -7.757421      6.020284
  H      -8.605243     -7.017852      6.590702
  H      -9.462712     -4.816309      5.806702
  H      -8.014475     -3.308607      4.465821
  H      -6.200894     -1.997016      4.194517
  H       0.668003     -6.087374      5.797832
  H       1.127797     -5.543803      8.159820
  H      -0.545456     -4.278599      9.512686
  H      -2.724623     -3.654257      8.539940
  H      -5.295907     -3.221765      6.153626
  N      -7.756137     -5.015337      1.156344
  H      -8.227937     -5.369911      0.323284
  H      -6.768808     -4.920062      0.901732
  H      -8.090413     -4.058027      1.275904
  N       0.722109     -4.021171      0.889773
  N       1.137014     -3.554630     -0.018560
77
Coordinates from ORCA-job orca E -7409.254760388540
  N      -3.078842     -4.108324      1.835161
  C      -3.422275     -5.004762      0.738587
  C      -3.719421     -6.375966      1.317966
  N      -2.932933     -6.547737      2.567252
  C      -3.318056     -7.819994      3.262320
  C      -3.971623     -7.502757      4.606984
  N      -4.616307     -6.218257      4.438273
  Mo     -3.443317     -4.673535      3.795276
  N      -1.670675     -5.386469      4.507988
  C      -0.781569     -6.199876      3.677936
  C      -1.464981     -6.467340      2.345586
  H      -0.546355     -7.139965      4.207190
  H       0.174621     -5.681848      3.495852
  H      -1.096378     -7.399622      1.888073
  H      -1.266186     -5.642280      1.658169
  H      -4.689833     -8.291185      4.873003
  H      -3.218645     -7.445980      5.409569
  H      -4.027053     -8.354463      2.617527
  H      -2.430566     -8.453258      3.386399
  H      -2.580303     -5.058112      0.027816
  H      -4.294677     -4.615998      0.190175
  H      -3.488081     -7.181320      0.599286
  H      -4.776105     -6.473227      1.603120
  C      -2.573443     -2.890778      1.515308
  C      -2.316451     -2.413955      0.204788
  C      -1.869532     -1.119686      0.023454
  C      -1.694785     -0.244563      1.121989
  C      -1.917336     -0.693336      2.406004
  C      -2.310893     -2.033935      2.623825
  N      -2.557538     -2.593000      3.855235
  C      -2.039167     -2.058736      4.965894
  C      -0.773102     -1.405366      5.170644
  O      -0.457952     -0.722946      6.116332
  Cl      0.555920     -1.899807      3.973019
  C      -5.868482     -5.954252      4.889512
  C      -6.704042     -6.801634      5.651083
  C      -7.983734     -6.380111      5.974393
  C      -8.462713     -5.124980      5.546887
  C      -7.652707     -4.271199      4.815363
  C      -6.337615     -4.662718      4.501488
  N      -5.428995     -3.933936      3.757745
  C      -5.745842     -2.624579      3.453724
  C      -5.610117     -2.112402      2.155323
  O      -5.371664     -2.648722      1.087899
  Cl     -5.949851     -0.266148      2.149706
  C      -1.324905     -5.200983      5.810809
  C      -0.079511     -5.553214      6.386120
  C       0.184983     -5.227316      7.703316
  C      -0.770509     -4.531400      8.476982
  C      -2.003434     -4.206818      7.947304
  C      -2.325643     -4.579485      6.621883
  N      -3.514160     -4.300372      5.988411
  C      -4.619023     -3.922753      6.670367
  C      -5.037755     -4.489338      7.917386
  O      -4.598107     -5.414902      8.562753
  Cl     -6.567475     -3.628470      8.502698
  H      -2.513427     -3.045694     -0.659198
  H      -1.694895     -0.750736     -0.988642
  H      -1.417421      0.796128      0.948937
  H      -1.830736     -0.015466      3.254952
  H      -2.578493     -2.210142      5.896545
  H      -6.341645     -7.767541      6.001602
  H      -8.626692     -7.028460      6.571088
  H      -9.480290     -4.821879      5.796098
  H      -8.026191     -3.308650      4.466820
  H      -6.212252     -2.000850      4.216770
  H       0.684956     -6.037044      5.779948
  H       1.156075     -5.472261      8.135577
  H      -0.525587     -4.227976      9.495299
  H      -2.723169     -3.641159      8.535458
  H      -5.316418     -3.255139      6.176885
  N      -7.763999     -5.009448      1.122550
  H      -8.238120     -5.317026      0.270008
  H      -6.775078     -4.911514      0.876693
  H      -8.092166     -4.055204      1.290411
  N       0.737284     -4.036541      0.853633
  N       1.123494     -3.557762     -0.061060
77
Coordinates from ORCA-job orca E -7409.254865490592
  N      -3.090185     -4.114232      1.841765
  C      -3.441118     -5.007942      0.745458
  C      -3.727249     -6.383961      1.322497
  N      -2.940495     -6.549040      2.572177
  C      -3.316837     -7.822627      3.270353
  C      -3.992304     -7.506526      4.604394
  N      -4.637131     -6.222613      4.429152
  Mo     -3.458507     -4.679520      3.800557
  N      -1.677347     -5.380181      4.504013
  C      -0.784829     -6.186968      3.671357
  C      -1.473250     -6.466306      2.343562
  H      -0.537079     -7.122219      4.202956
  H       0.164719     -5.659327      3.483255
  H      -1.106087     -7.401547      1.890786
  H      -1.278655     -5.647829      1.646774
  H      -4.712847     -8.296316      4.859727
  H      -3.250761     -7.448301      5.417461
  H      -4.006462     -8.374095      2.618703
  H      -2.421034     -8.439997      3.412640
  H      -2.607165     -5.054459      0.024693
  H      -4.322000     -4.618778      0.208981
  H      -3.485037     -7.186049      0.604127
  H      -4.784883     -6.491848      1.603613
  C      -2.569056     -2.903311      1.521958
  C      -2.303274     -2.431030      0.211173
  C      -1.831279     -1.147440      0.029731
  C      -1.643479     -0.274396      1.127500
  C      -1.882014     -0.714844      2.411076
  C      -2.297419     -2.047945      2.629987
  N      -2.562862     -2.598750      3.860907
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  C      -0.785884     -1.420814      5.195314
  O      -0.481247     -0.733639      6.140222
  Cl      0.557158     -1.938189      4.022022
  C      -5.890302     -5.958871      4.879114
  C      -6.729630     -6.808896      5.633434
  C      -8.008721     -6.385342      5.957796
  C      -8.482932     -5.126109      5.538229
  C      -7.668843     -4.269741      4.813425
  C      -6.354923     -4.663824      4.498910
  N      -5.440345     -3.931594      3.764211
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  C      -5.602818     -2.087662      2.183587
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  Cl     -5.930621     -0.240174      2.201248
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  C      -0.060184     -5.497198      6.363958
  C       0.212477     -5.152612      7.674880
  C      -0.748426     -4.469552      8.453324
  C      -1.993043     -4.174127      7.935002
  C      -2.320519     -4.561946      6.615315
  N      -3.520065     -4.310949      5.991153
  C      -4.626548     -3.956819      6.685720
  C      -5.020926     -4.543213      7.930486
  O      -4.553259     -5.462964      8.564854
  Cl     -6.564380     -3.720949      8.538262
  H      -2.510281     -3.059207     -0.652892
  H      -1.645872     -0.784362     -0.982163
  H      -1.343132      0.757327      0.954239
  H      -1.787009     -0.036758      3.258404
  H      -2.608036     -2.209949      5.903097
  H      -6.370160     -7.778096      5.977807
  H      -8.654605     -7.035567      6.549404
  H      -9.499997     -4.821223      5.788134
  H      -8.038389     -3.303289      4.471365
  H      -6.223512     -2.003962      4.240681
  H       0.706113     -5.972057      5.753290
  H       1.192786     -5.372792      8.098273
  H      -0.497926     -4.153131      9.466321
  H      -2.719329     -3.619050      8.525582
  H      -5.340644     -3.298600      6.203419
  N      -7.770315     -5.012699      1.089716
  H      -8.247766     -5.275904      0.220864
  H      -6.780995     -4.908986      0.850457
  H      -8.094664     -4.065816      1.307551
  N       0.754607     -4.050600      0.829354
  N       1.112450     -3.558728     -0.089783
77
Coordinates from ORCA-job orca E -7409.254956591451
  N      -3.099440     -4.119648      1.848415
  C      -3.456688     -5.011390      0.752612
  C      -3.732399     -6.391193      1.328680
  N      -2.945999     -6.549967      2.578877
  C      -3.317400     -7.824584      3.279512
  C      -4.010576     -7.508783      4.604198
  N      -4.654557     -6.224658      4.423223
  Mo     -3.469823     -4.685088      3.805777
  N      -1.681067     -5.374692      4.501318
  C      -0.786348     -6.177670      3.667132
  C      -1.479344     -6.467619      2.344142
  H      -0.530175     -7.108797      4.201667
  H       0.158005     -5.643053      3.473777
  H      -1.115257     -7.406290      1.896018
  H      -1.287882     -5.656072      1.638147
  H      -4.733731     -8.298909      4.850808
  H      -3.278695     -7.449923      5.426106
  H      -3.992159     -8.387850      2.621393
  H      -2.416140     -8.431378      3.435826
  H      -2.630587     -5.052044      0.023224
  H      -4.344416     -4.622446      0.227105
  H      -3.479981     -7.190820      0.611120
  H      -4.789950     -6.506484      1.608046
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  C      -2.294538     -2.446307      0.216077
  C      -1.809354     -1.166908      0.033165
  C      -1.612382     -0.293938      1.129455
  C      -1.857488     -0.730558      2.413544
  C      -2.287184     -2.059111      2.634104
  N      -2.565057     -2.602706      3.864824
  C      -2.062303     -2.069793      4.981873
  C      -0.793663     -1.428454      5.210242
  O      -0.496037     -0.731861      6.150080
  Cl      0.558482     -1.969964      4.061393
  C      -5.909216     -5.960977      4.870133
  C      -6.753513     -6.813305      5.615861
  C      -8.032597     -6.387901      5.937917
  C      -8.501274     -5.124863      5.524811
  C      -7.682110     -4.266036      4.808211
  C      -6.368881     -4.662699      4.495758
  N      -5.448135     -3.928702      3.769499
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  C      -5.594149     -2.068472      2.206840
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  Cl     -5.909375     -0.221012      2.243916
  C      -1.310211     -5.152694      5.792130
  C      -0.043133     -5.453393      6.346298
  C       0.235067     -5.097030      7.653154
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  C      -1.983712     -4.151418      7.926587
  C      -2.314345     -4.548544      6.610657
  N      -3.521843     -4.318499      5.993355
  C      -4.630100     -3.984993      6.697897
  C      -5.004149     -4.590069      7.938957
  O      -4.515396     -5.507303      8.560921
  Cl     -6.556838     -3.799192      8.568442
  H      -2.509240     -3.072270     -0.647713
  H      -1.620718     -0.806257     -0.979394
  H      -1.302116      0.736263      0.954535
  H      -1.757681     -0.051246      3.259588
  H      -2.626618     -2.199713      5.900794
  H      -6.397933     -7.785827      5.954703
  H      -8.682810     -7.039863      6.522690
  H      -9.518182     -4.818603      5.772958
  H      -8.047710     -3.296351      4.471169
  H      -6.229312     -2.004704      4.261045
  H       0.724720     -5.921246      5.732122
  H       1.222086     -5.299647      8.069905
  H      -0.476466     -4.102062      9.446006
  H      -2.715127     -3.606519      8.520587
  H      -5.356659     -3.332323      6.226824
  N      -7.765924     -5.014738      1.067402
  H      -8.245459     -5.243578      0.189832
  H      -6.777232     -4.906720      0.832175
  H      -8.085467     -4.075882      1.324684
  N       0.765765     -4.062366      0.816317
  N       1.100040     -3.561399     -0.107082
77
Coordinates from ORCA-job orca E -7409.254335355930
  N      -3.098375     -4.115270      1.847782
  C      -3.441351     -5.003239      0.745901
  C      -3.726035     -6.385295      1.310811
  N      -2.959507     -6.547519      2.570864
  C      -3.341621     -7.821071      3.265683
  C      -4.030606     -7.510625      4.590444
  N      -4.667826     -6.222610      4.416434
  Mo     -3.479164     -4.687365      3.801861
  N      -1.687361     -5.378937      4.493670
  C      -0.799245     -6.189893      3.662385
  C      -1.491793     -6.476850      2.340008
  H      -0.552675     -7.119963      4.199178
  H       0.147707     -5.663405      3.470257
  H      -1.136129     -7.418627      1.891157
  H      -1.292608     -5.668560      1.632657
  H      -4.756873     -8.298633      4.833797
  H      -3.298628     -7.459670      5.410531
  H      -4.017295     -8.372085      2.608340
  H      -2.449704     -8.432384      3.416860
  H      -2.607251     -5.042238      0.026338
  H      -4.323714     -4.612581      0.210542
  H      -3.457749     -7.180571      0.594685
  H      -4.788561     -6.502434      1.567823
  C      -2.561264     -2.910601      1.532840
  C      -2.285899     -2.438718      0.223907
  C      -1.788982     -1.165946      0.047312
  C      -1.587700     -0.299598      1.147230
  C      -1.844336     -0.735213      2.428651
  C      -2.282839     -2.060031      2.643029
  N      -2.569801     -2.603925      3.870504
  C      -2.074998     -2.071245      4.991852
  C      -0.806434     -1.431825      5.233490
  O      -0.517175     -0.732137      6.175584
  Cl      0.555147     -1.976685      4.099360
  C      -5.920092     -5.954565      4.867485
  C      -6.764418     -6.803262      5.616783
  C      -8.039192     -6.370202      5.947833
  C      -8.503693     -5.104371      5.538396
  C      -7.685109     -4.250299      4.815251
  C      -6.375607     -4.654014      4.495146
  N      -5.453171     -3.924044      3.765728
  C      -5.761532     -2.611094      3.477646
  C      -5.603869     -2.079539      2.192192
  O      -5.353876     -2.605663      1.125940
  Cl     -5.930090     -0.236852      2.209363
  C      -1.307849     -5.145061      5.779525
  C      -0.035614     -5.432889      6.325828
  C       0.250904     -5.061928      7.626927
  C      -0.712338     -4.392209      8.412684
  C      -1.971464     -4.132951      7.911787
  C      -2.308587     -4.540932      6.600620
  N      -3.521672     -4.324310      5.990118
  C      -4.628092     -4.004111      6.703230
  C      -4.982956     -4.618362      7.945884
  O      -4.477399     -5.532471      8.558989
  Cl     -6.535893     -3.845816      8.595439
  H      -2.502388     -3.059129     -0.643098
  H      -1.592748     -0.805824     -0.963081
  H      -1.261760      0.722074      0.977834
  H      -1.740243     -0.060541      3.277353
  H      -2.651313     -2.192671      5.904046
  H      -6.410804     -7.777495      5.953401
  H      -8.688916     -7.018039      6.537608
  H      -9.517145     -4.791471      5.795043
  H      -8.048043     -3.278205      4.481749
  H      -6.236565     -1.999340      4.241465
  H       0.729679     -5.899440      5.708901
  H       1.242586     -5.251278      8.036691
  H      -0.451546     -4.057939      9.417520
  H      -2.702325     -3.589439      8.506765
  H      -5.364234     -3.355681      6.241610
  N      -7.764457     -5.055473      1.080169
  H      -8.245210     -5.306999      0.229719
  H      -6.778620     -4.939824      0.834059
  H      -8.101064     -4.132602      1.320358
  N       0.769727     -4.059710      0.871699
  N       1.117731     -3.558757     -0.036851
77
Coordinates from ORCA-job orca E -7409.255020569852
  N      -3.100558     -4.117962      1.848062
  C      -3.452001     -5.009792      0.750303
  C      -3.727593     -6.389615      1.323527
  N      -2.948030     -6.550088      2.577616
  C      -3.327562     -7.824946      3.274037
  C      -4.017476     -7.510479      4.599860
  N      -4.658334     -6.223828      4.422325
  Mo     -3.470866     -4.688222      3.804012
  N      -1.678815     -5.375097      4.498731
  C      -0.786484     -6.183784      3.667176
  C      -1.480684     -6.472592      2.345111
  H      -0.537131     -7.115412      4.204283
  H       0.161661     -5.654612      3.473542
  H      -1.120652     -7.412670      1.896591
  H      -1.288494     -5.661707      1.638274
  H      -4.742648     -8.298822      4.846141
  H      -3.284678     -7.455725      5.421187
  H      -4.007370     -8.377855      2.613844
  H      -2.431979     -8.439927      3.424589
  H      -2.623695     -5.049967      0.025056
  H      -4.336894     -4.624189      0.220947
  H      -3.468537     -7.187412      0.606440
  H      -4.784492     -6.504275      1.597334
  C      -2.569127     -2.911467      1.529063
  C      -2.298765     -2.440549      0.218848
  C      -1.814427     -1.162008      0.038563
  C      -1.618408     -0.290856      1.136215
  C      -1.863354     -0.728422      2.419420
  C      -2.291571     -2.057294      2.637265
  N      -2.565648     -2.603439      3.867071
  C      -2.062232     -2.073611      4.985148
  C      -0.793351     -1.432436      5.214813
  O      -0.496996     -0.741823      6.159536
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  C      -6.758882     -6.807518      5.615544
  C      -8.036211     -6.378014      5.939123
  C      -8.501028     -5.112947      5.528083
  C      -7.680396     -4.256158      4.810873
  C      -6.369121     -4.657239      4.496070
  N      -5.447682     -3.927547      3.766861
  C      -5.751337     -2.611446      3.482711
  C      -5.592267     -2.076528      2.195774
  O      -5.347396     -2.597147      1.121045
  Cl     -5.903705     -0.230075      2.222790
  C      -1.306603     -5.149696      5.788399
  C      -0.038865     -5.447063      6.342042
  C       0.238731     -5.088127      7.648136
  C      -0.727626     -4.418163      8.431046
  C      -1.981821     -4.147274      7.922390
  C      -2.311047     -4.546175      6.607122
  N      -3.518553     -4.319603      5.990171
  C      -4.628026     -3.990598      6.694747
  C      -4.997060     -4.597342      7.936255
  O      -4.505005     -5.513474      8.555939
  Cl     -6.549229     -3.809783      8.571892
  H      -2.510837     -3.065173     -0.646619
  H      -1.625443     -0.801270     -0.973268
  H      -1.306610      0.737324      0.963194
  H      -1.762618     -0.051844      3.267443
  H      -2.628100     -2.212211      5.907255
  H      -6.406571     -7.781646      5.953079
  H      -8.688307     -7.028019      6.523858
  H      -9.516283     -4.803534      5.778439
  H      -8.043932     -3.284976      4.475987
  H      -6.221510     -1.997862      4.253106
  H       0.729929     -5.914520      5.728529
  H       1.226354     -5.288056      8.064165
  H      -0.475072     -4.093355      9.440703
  H      -2.713584     -3.603846      8.517491
  H      -5.356615     -3.338718      6.225960
  N      -7.759302     -5.029374      1.079972
  H      -8.237876     -5.274005      0.211197
  H      -6.772683     -4.915609      0.839277
  H      -8.082623     -4.093150      1.328996
  N       0.763352     -4.058082      0.839475
  N       1.104019     -3.554826     -0.081573
77
Coordinates from ORCA-job orca E -7409.255021462275
  N      -3.106818     -4.122055      1.854142
  C      -3.464823     -5.012302      0.758318
  C      -3.735629     -6.394549      1.330803
  N      -2.953695     -6.552921      2.583726
  C      -3.326051     -7.828717      3.282203
  C      -4.034284     -7.513720      4.599636
  N      -4.674353     -6.227584      4.415623
  Mo     -3.481157     -4.693621      3.810384
  N      -1.683169     -5.371366      4.497256
  C      -0.788305     -6.174055      3.663092
  C      -1.487168     -6.471955      2.345352
  H      -0.526613     -7.101769      4.201703
  H       0.153382     -5.636305      3.462533
  H      -1.126609     -7.413253      1.899842
  H      -1.299061     -5.664194      1.633614
  H      -4.762319     -8.302500      4.836977
  H      -3.311299     -7.457925      5.430320
  H      -3.990511     -8.396424      2.615879
  H      -2.422502     -8.430791      3.448368
  H      -2.641465     -5.051361      0.026459
  H      -4.354277     -4.626282      0.234436
  H      -3.472929     -7.190368      0.612274
  H      -4.793572     -6.515722      1.601984
  C      -2.562949     -2.921931      1.534620
  C      -2.286780     -2.455231      0.223388
  C      -1.790178     -1.179911      0.040726
  C      -1.584665     -0.308490      1.137142
  C      -1.834729     -0.742938      2.420884
  C      -2.278448     -2.068003      2.641713
  N      -2.567490     -2.605900      3.871805
  C      -2.071853     -2.074223      4.991610
  C      -0.800934     -1.440678      5.231704
  O      -0.509781     -0.743127      6.172274
  Cl      0.560960     -1.997787      4.099988
  C      -5.929485     -5.960842      4.860838
  C      -6.779056     -6.813286      5.600066
  C      -8.056590     -6.383565      5.922399
  C      -8.517982     -5.115874      5.516324
  C      -7.693456     -4.256599      4.805791
  C      -6.382291     -4.658274      4.492447
  N      -5.456056     -3.924998      3.772189
  C      -5.754905     -2.606034      3.497035
  C      -5.588706     -2.060744      2.214682
  O      -5.343992     -2.575097      1.137674
  Cl     -5.890542     -0.212018      2.255895
  C      -1.300243     -5.131455      5.782182
  C      -0.022525     -5.407394      6.327339
  C       0.262056     -5.035461      7.629125
  C      -0.708137     -4.374776      8.415392
  C      -1.971679     -4.124501      7.914573
  C      -2.306069     -4.534846      6.603698
  N      -3.522749     -4.328773      5.993355
  C      -4.633007     -4.016834      6.709310
  C      -4.984532     -4.641387      7.947710
  O      -4.471094     -5.555510      8.557009
  Cl     -6.547831     -3.885077      8.602326
  H      -2.506969     -3.078822     -0.640860
  H      -1.599247     -0.820686     -0.971997
  H      -1.264626      0.719599      0.962096
  H      -1.730439     -0.064183      3.266898
  H      -2.649137     -2.196066      5.903933
  H      -6.429619     -7.789824      5.933684
  H      -8.711120     -7.035669      6.502249
  H      -9.533306     -4.805978      5.765338
  H      -8.054177     -3.282920      4.475185
  H      -6.228476     -1.997865      4.268190
  H       0.747775     -5.868253      5.710540
  H       1.257249     -5.218073      8.038634
  H      -0.451278     -4.040456      9.421407
  H      -2.707581     -3.588314      8.511684
  H      -5.374286     -3.370634      6.250680
  N      -7.763327     -5.025711      1.055674
  H      -8.245085     -5.232350      0.173980
  H      -6.776180     -4.909217      0.820157
  H      -8.082810     -4.094050      1.343944
  N       0.775893     -4.074184      0.820162
  N       1.095780     -3.563518     -0.102197
77
Coordinates from ORCA-job orca E -7409.255097416297
  N      -3.104001     -4.119822      1.851890
  C      -3.460151     -5.011519      0.756018
  C      -3.730843     -6.392952      1.330019
  N      -2.949339     -6.552038      2.583480
  C      -3.326250     -7.827584      3.280687
  C      -4.022694     -7.511889      4.603218
  N      -4.663987     -6.225746      4.421811
  Mo     -3.474102     -4.692012      3.807798
  N      -1.678460     -5.372410      4.499143
  C      -0.785210     -6.179197      3.666792
  C      -1.482363     -6.472012      2.347379
  H      -0.531028     -7.109244      4.204881
  H       0.160317     -5.647003      3.469224
  H      -1.121763     -7.412016      1.899229
  H      -1.293845     -5.661211      1.639336
  H      -4.748592     -8.300403      4.846870
  H      -3.293842     -7.455636      5.428163
  H      -4.001634     -8.385159      2.618369
  H      -2.427806     -8.438927      3.435941
  H      -2.635340     -5.050678      0.025449
  H      -4.349096     -4.627780      0.230200
  H      -3.468863     -7.189410      0.612066
  H      -4.787493     -6.510788      1.605009
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  C      -2.297645     -2.446673      0.220457
  C      -1.812539     -1.167204      0.038407
  C      -1.612400     -0.295299      1.135281
  C      -1.854306     -0.733198      2.419147
  C      -2.287115     -2.061589      2.638832
  N      -2.564532     -2.604114      3.868931
  C      -2.061206     -2.073044      4.985949
  C      -0.789438     -1.437651      5.216734
  O      -0.489228     -0.746134      6.159596
  Cl      0.560863     -1.980452      4.065871
  C      -5.919304     -5.959458      4.866374
  C      -6.767310     -6.810710      5.608604
  C      -8.045862     -6.382500      5.928776
  C      -8.509799     -5.117343      5.517756
  C      -7.687002     -4.259230      4.804333
  C      -6.374621     -4.659028      4.492961
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  C      -5.594650     -2.069962      2.203614
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  C      -0.031776     -5.432563      6.337729
  C       0.247458     -5.071153      7.642895
  C      -0.720610     -4.405427      8.427133
  C      -1.977817     -4.140695      7.920817
  C      -2.308314     -4.542545      6.606796
  N      -3.518492     -4.322475      5.991424
  C      -4.628276     -3.998564      6.699421
  C      -4.992399     -4.611470      7.939017
  O      -4.495728     -5.528485      8.554256
  Cl     -6.546132     -3.831693      8.582290
  H      -2.513219     -3.071105     -0.644334
  H      -1.626925     -0.805757     -0.974368
  H      -1.302026      0.735510      0.960601
  H      -1.752250     -0.055714      3.266570
  H      -2.630248     -2.201480      5.903116
  H      -6.416239     -7.785390      5.945637
  H      -8.699602     -7.033714      6.510331
  H      -9.526040     -4.808967      5.764926
  H      -8.050464     -3.288319      4.469271
  H      -6.227072     -1.999510      4.259416
  H       0.738008     -5.897158      5.723175
  H       1.237339     -5.266262      8.056827
  H      -0.467668     -4.078885      9.436254
  H      -2.710688     -3.600631      8.517530
  H      -5.360142     -3.347563      6.234501
  N      -7.745659     -5.019106      1.069167
  H      -8.227061     -5.244462      0.193169
  H      -6.758903     -4.904607      0.830413
  H      -8.062853     -4.083693      1.337656
  N       0.759893     -4.068255      0.831620
  N       1.090324     -3.563786     -0.090988
77
Coordinates from ORCA-job orca E -7409.255133628672
  N      -3.106104     -4.119305      1.853056
  C      -3.461986     -5.010931      0.756946
  C      -3.730767     -6.393220      1.329577
  N      -2.951730     -6.552417      2.584266
  C      -3.330528     -7.827744      3.280277
  C      -4.026617     -7.512661      4.602499
  N      -4.667315     -6.226122      4.421236
  Mo     -3.476314     -4.694138      3.808131
  N      -1.677739     -5.370851      4.497313
  C      -0.785995     -6.179551      3.665609
  C      -1.484740     -6.473257      2.347568
  H      -0.532775     -7.108793      4.204981
  H       0.159766     -5.648980      3.466197
  H      -1.125178     -7.413519      1.899139
  H      -1.297245     -5.662500      1.639255
  H      -4.752807     -8.301029      4.845769
  H      -3.298302     -7.456985      5.427501
  H      -4.006519     -8.382380      2.618065
  H      -2.434084     -8.440415      3.434044
  H      -2.637974     -5.049291      0.025794
  H      -4.351558     -4.628576      0.231687
  H      -3.464179     -7.187740      0.611707
  H      -4.787033     -6.512886      1.602346
  C      -2.569579     -2.915771      1.533619
  C      -2.299290     -2.445193      0.222901
  C      -1.810908     -1.167614      0.042082
  C      -1.608556     -0.297228      1.139796
  C      -1.851837     -0.734799      2.423147
  C      -2.287111     -2.062528      2.641810
  N      -2.565126     -2.604765      3.871506
  C      -2.061884     -2.074827      4.989211
  C      -0.787150     -1.444732      5.221796
  O      -0.484221     -0.758188      6.167962
  Cl      0.561409     -1.986255      4.066938
  C      -5.922859     -5.959136      4.865023
  C      -6.771712     -6.809943      5.606590
  C      -8.049888     -6.380410      5.927088
  C      -8.512548     -5.114383      5.516818
  C      -7.689010     -4.256925      4.803514
  C      -6.376979     -4.658007      4.491871
  N      -5.453014     -3.927139      3.767285
  C      -5.755004     -2.609826      3.486607
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  O      -5.350847     -2.590761      1.125033
  Cl     -5.912355     -0.226952      2.231055
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  C      -0.027866     -5.423725      6.333346
  C       0.252125     -5.059850      7.637675
  C      -0.716630     -4.395970      8.422544
  C      -1.975253     -4.135199      7.917730
  C      -2.306109     -4.539151      6.604518
  N      -3.517773     -4.323901      5.990519
  C      -4.627867     -4.003367      6.699818
  C      -4.987663     -4.617371      7.940055
  O      -4.485978     -5.532006      8.555383
  Cl     -6.544441     -3.843460      8.585247
  H      -2.515349     -3.068349     -0.642666
  H      -1.624002     -0.806611     -0.970324
  H      -1.294056      0.731149      0.966165
  H      -1.747542     -0.058925      3.271481
  H      -2.634242     -2.202677      5.906465
  H      -6.421774     -7.785257      5.943249
  H      -8.704319     -7.031088      6.508366
  H      -9.528503     -4.804823      5.764420
  H      -8.051999     -3.285404      4.469005
  H      -6.228606     -1.998499      4.256259
  H       0.742389     -5.887064      5.718532
  H       1.243082     -5.251848      8.050302
  H      -0.463549     -4.067737      9.431060
  H      -2.708509     -3.596741      8.515374
  H      -5.363074     -3.355085      6.235766
  N      -7.737284     -5.023428      1.068838
  H      -8.219021     -5.245958      0.194840
  H      -6.751308     -4.905261      0.828116
  H      -8.054243     -4.090350      1.342997
  N       0.757686     -4.070236      0.837857
  N       1.085110     -3.561125     -0.084683
77
Coordinates from ORCA-job orca E -7409.255177154123
  N      -3.107962     -4.120005      1.854946
  C      -3.463909     -5.011802      0.759178
  C      -3.731381     -6.394857      1.330714
  N      -2.953649     -6.554808      2.586528
  C      -3.334096     -7.830552      3.280911
  C      -4.031335     -7.514830      4.602522
  N      -4.671753     -6.228035      4.419655
  Mo     -3.478547     -4.699069      3.808955
  N      -1.676139     -5.369458      4.495740
  C      -0.786132     -6.181387      3.665608
  C      -1.486440     -6.476022      2.348966
  H      -0.534658     -7.109840      4.207082
  H       0.160597     -5.653551      3.463991
  H      -1.127388     -7.416128      1.900090
  H      -1.300384     -5.664592      1.641205
  H      -4.758018     -8.303010      4.845187
  H      -3.304311     -7.458565      5.428880
  H      -4.011067     -8.383444      2.617379
  H      -2.438080     -8.444887      3.434100
  H      -2.640846     -5.049740      0.027198
  H      -4.353919     -4.631274      0.234271
  H      -3.460856     -7.187364      0.612384
  H      -4.787327     -6.514626      1.602776
  C      -2.571537     -2.916743      1.536042
  C      -2.302900     -2.445162      0.225225
  C      -1.816271     -1.166911      0.044426
  C      -1.613022     -0.296889      1.142447
  C      -1.853235     -0.735734      2.425772
  C      -2.288084     -2.063979      2.644555
  N      -2.564827     -2.605492      3.874274
  C      -2.059953     -2.077139      4.991611
  C      -0.782588     -1.452883      5.223850
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  Cl      0.561498     -1.992307      4.063290
  C      -5.927599     -5.959805      4.862015
  C      -6.778008     -6.810289      5.601914
  C      -8.055801     -6.379407      5.922092
  C      -8.516267     -5.112130      5.513006
  C      -7.691023     -4.255105      4.801169
  C      -6.379446     -4.657720      4.489423
  N      -5.454358     -3.927774      3.765832
  C      -5.753728     -2.609208      3.486167
  C      -5.596236     -2.072185      2.200022
  O      -5.349867     -2.588271      1.122981
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  C      -0.022798     -5.413535      6.329245
  C       0.257576     -5.046768      7.632823
  C      -0.712637     -4.385238      8.417970
  C      -1.972889     -4.129162      7.914277
  C      -2.303619     -4.535928      6.602000
  N      -3.516761     -4.326566      5.988843
  C      -4.627006     -4.008136      6.699719
  C      -4.983738     -4.624210      7.939348
  O      -4.479731     -5.538642      8.553054
  Cl     -6.539989     -3.852480      8.589355
  H      -2.519171     -3.067806     -0.640535
  H      -1.631988     -0.804900     -0.968170
  H      -1.300838      0.732521      0.968752
  H      -1.748863     -0.060531      3.274613
  H      -2.632801     -2.204321      5.909052
  H      -6.430007     -7.786498      5.937944
  H      -8.711558     -7.029777      6.502193
  H      -9.531938     -4.801352      5.760296
  H      -8.052992     -3.282822      4.467502
  H      -6.226609     -1.997536      4.256314
  H       0.748527     -5.875237      5.714385
  H       1.249720     -5.235219      8.044349
  H      -0.460153     -4.055037      9.426044
  H      -2.707104     -3.592847      8.512924
  H      -5.364111     -3.360915      6.237301
  N      -7.718352     -5.021651      1.069862
  H      -8.203274     -5.239172      0.197219
  H      -6.733141     -4.900258      0.826088
  H      -8.031853     -4.090150      1.350573
  N       0.749860     -4.075726      0.848573
  N       1.074896     -3.564888     -0.072931
77
Coordinates from ORCA-job orca E -7409.255223397168
  N      -3.111264     -4.121559      1.859384
  C      -3.472354     -5.012022      0.764182
  C      -3.737039     -6.397048      1.333931
  N      -2.958925     -6.557280      2.589810
  C      -3.338389     -7.833055      3.283828
  C      -4.039514     -7.517023      4.603178
  N      -4.680178     -6.230581      4.417261
  Mo     -3.484334     -4.704333      3.811952
  N      -1.675888     -5.365091      4.492413
  C      -0.788373     -6.179901      3.662829
  C      -1.491886     -6.478394      2.349106
  H      -0.535667     -7.106170      4.207322
  H       0.157926     -5.653878      3.455977
  H      -1.133225     -7.418952      1.901326
  H      -1.307795     -5.668048      1.639853
  H      -4.766128     -8.305755      4.844243
  H      -3.315353     -7.459094      5.431642
  H      -4.012759     -8.387926      2.619799
  H      -2.441545     -8.444986      3.439804
  H      -2.653546     -5.048547      0.027093
  H      -4.365524     -4.630588      0.244841
  H      -3.461194     -7.186503      0.614239
  H      -4.792928     -6.519683      1.605368
  C      -2.570324     -2.920803      1.541246
  C      -2.300895     -2.449741      0.230073
  C      -1.809672     -1.173209      0.048927
  C      -1.602173     -0.303836      1.147273
  C      -1.843338     -0.741962      2.430476
  C      -2.283679     -2.069014      2.650080
  N      -2.566240     -2.605942      3.879709
  C      -2.062977     -2.076333      4.996982
  C      -0.779246     -1.463956      5.232467
  O      -0.466026     -0.788389      6.183629
  Cl      0.562316     -2.011362      4.071910
  C      -5.936939     -5.961880      4.857218
  C      -6.789352     -6.813208      5.593642
  C      -8.067584     -6.382052      5.912173
  C      -8.526033     -5.113410      5.504800
  C      -7.698316     -4.255589      4.796581
  C      -6.386644     -4.658869      4.485958
  N      -5.459301     -3.928278      3.766109
  C      -5.756208     -2.608363      3.489221
  C      -5.595844     -2.068150      2.204790
  O      -5.347123     -2.581486      1.127336
  Cl     -5.912357     -0.221615      2.238785
  C      -1.291846     -5.120279      5.774953
  C      -0.013090     -5.389701      6.318582
  C       0.269962     -5.017250      7.620134
  C      -0.702540     -4.361794      8.407449
  C      -1.967085     -4.116799      7.908057
  C      -2.299623     -4.528681      6.597827
  N      -3.517205     -4.331776      5.988610
  C      -4.627132     -4.019982      6.704541
  C      -4.975391     -4.641287      7.943452
  O      -4.463883     -5.554116      8.553703
  Cl     -6.533972     -3.879339      8.601808
  H      -2.520336     -3.071363     -0.635628
  H      -1.625523     -0.811316     -0.963877
  H      -1.287255      0.725184      0.973365
  H      -1.737268     -0.067048      3.279463
  H      -2.642309     -2.191592      5.910305
  H      -6.443095     -7.790579      5.928257
  H      -8.725033     -7.033250      6.489458
  H      -9.541941     -4.802106      5.750498
  H      -8.058869     -3.282155      4.464516
  H      -6.231296     -1.998785      4.259283
  H       0.759382     -5.847102      5.701981
  H       1.265344     -5.197037      8.028130
  H      -0.448866     -4.027479      9.413909
  H      -2.703364     -3.585530      8.508667
  H      -5.370454     -3.377329      6.245702
  N      -7.699137     -5.022729      1.061677
  H      -8.188079     -5.218408      0.185667
  H      -6.715198     -4.894626      0.815382
  H      -8.008103     -4.096475      1.366194
  N       0.746918     -4.086514      0.853731
  N       1.060211     -3.567371     -0.067041
77
Coordinates from ORCA-job orca E -7409.255265705883
  N      -3.111194     -4.123263      1.861245
  C      -3.474338     -5.012879      0.765958
  C      -3.741870     -6.397914      1.334506
  N      -2.962463     -6.559857      2.589800
  C      -3.341489     -7.835570      3.283483
  C      -4.045141     -7.518954      4.601938
  N      -4.685236     -6.232381      4.414316
  Mo     -3.487526     -4.707693      3.812934
  N      -1.675809     -5.363129      4.489538
  C      -0.790889     -6.181748      3.661227
  C      -1.495407     -6.481673      2.348229
  H      -0.539572     -7.106961      4.208098
  H       0.156698     -5.659099      3.452031
  H      -1.136685     -7.422614      1.901456
  H      -1.310799     -5.672094      1.638389
  H      -4.772280     -8.307653      4.841885
  H      -3.322465     -7.460337      5.431951
  H      -4.014540     -8.392392      2.618827
  H      -2.443600     -8.446122      3.441972
  H      -2.656538     -5.050540      0.028311
  H      -4.366765     -4.628383      0.247991
  H      -3.466362     -7.186352      0.613739
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  N      -2.568249     -2.605770      3.883228
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  C      -0.780114     -1.469598      5.237411
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  C      -8.530391     -5.112365      5.500930
  C      -7.701009     -4.254180      4.795063
  C      -6.389790     -4.658627      4.484084
  N      -5.460627     -3.928291      3.766360
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  C      -4.970501     -4.651964      7.945995
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  H      -2.517265     -3.074663     -0.632424
  H      -1.621913     -0.813774     -0.961288
  H      -1.285434      0.723583      0.975807
  H      -1.736759     -0.068895      3.281574
  H      -2.648204     -2.186047      5.913044
  H      -6.451329     -7.792795      5.920888
  H      -8.732410     -7.034086      6.481831
  H      -9.545915     -4.800131      5.746469
  H      -8.059544     -3.279342      4.465033
  H      -6.227660     -1.997521      4.261266
  H       0.765512     -5.830613      5.693967
  H       1.274495     -5.172876      8.017858
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  H      -2.701706     -3.579607      8.504032
  H      -5.375423     -3.388583      6.250005
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  H      -6.706916     -4.893041      0.812069
  H      -7.996953     -4.102541      1.379238
  N       0.747710     -4.092231      0.863139
  N       1.056543     -3.567206     -0.055232
77
Coordinates from ORCA-job orca E -7409.255341629339
  N      -3.108846     -4.126449      1.863002
  C      -3.475997     -5.014127      0.766901
  C      -3.750929     -6.398349      1.334117
  N      -2.967778     -6.563684      2.587316
  C      -3.346287     -7.839137      3.280945
  C      -4.051160     -7.521708      4.599468
  N      -4.690344     -6.234722      4.410805
  Mo     -3.491445     -4.710915      3.813285
  N      -1.675934     -5.360174      4.484156
  C      -0.795767     -6.186014      3.658096
  C      -1.500750     -6.486842      2.345202
  H      -0.548945     -7.110486      4.208506
  H       0.155304     -5.670498      3.446694
  H      -1.141559     -7.428490      1.900185
  H      -1.313838     -5.678691      1.634328
  H      -4.778700     -8.310195      4.839147
  H      -3.328831     -7.462496      5.430095
  H      -4.019041     -8.398196      2.616649
  H      -2.447522     -8.448619      3.442116
  H      -2.658839     -5.054530      0.028995
  H      -4.366332     -4.621676      0.251064
  H      -3.479567     -7.186461      0.611330
  H      -4.806871     -6.514407      1.608553
  C      -2.564120     -2.927302      1.547915
  C      -2.289515     -2.457811      0.236771
  C      -1.798769     -1.180943      0.054981
  C      -1.596487     -0.309730      1.153367
  C      -1.842511     -0.746742      2.435883
  C      -2.281429     -2.074441      2.657544
  N      -2.574185     -2.604246      3.887627
  C      -2.075983     -2.070864      5.004661
  C      -0.785499     -1.473564      5.242219
  O      -0.466520     -0.805311      6.195768
  Cl      0.550133     -2.029789      4.080766
  C      -5.947752     -5.964045      4.849362
  C      -6.803490     -6.816253      5.580868
  C      -8.081129     -6.383283      5.899015
  C      -8.535294     -5.111659      5.496378
  C      -7.703976     -4.253011      4.793327
  C      -6.393226     -4.658905      4.481859
  N      -5.461472     -3.928959      3.766697
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  C      -5.583112     -2.060470      2.212041
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  C       0.285336     -4.977054      7.599512
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  C      -2.294916     -4.517888      6.588284
  N      -3.519371     -4.339701      5.986030
  C      -4.627971     -4.035717      6.710001
  C      -4.964485     -4.662212      7.949444
  O      -4.439072     -5.569776      8.557393
  Cl     -6.530079     -3.917893      8.614954
  H      -2.506860     -3.081521     -0.628006
  H      -1.611341     -0.819116     -0.957355
  H      -1.284639      0.720934      0.979159
  H      -1.743012     -0.069399      3.283730
  H      -2.659751     -2.173678      5.916453
  H      -6.460095     -7.795735      5.912068
  H      -8.740659     -7.035748      6.472584
  H      -9.550421     -4.798236      5.741886
  H      -8.059373     -3.276108      4.466140
  H      -6.221375     -1.997156      4.265796
  H       0.771391     -5.811581      5.681748
  H       1.284888     -5.144558      8.003321
  H      -0.432909     -3.986375      9.392633
  H      -2.699342     -3.571500      8.496035
  H      -5.381283     -3.402293      6.254000
  N      -7.674515     -5.034674      1.067842
  H      -8.176069     -5.201047      0.192131
  H      -6.694965     -4.892736      0.808736
  H      -7.981232     -4.116858      1.402725
  N       0.750085     -4.098568      0.882789
  N       1.053905     -3.562020     -0.030250
77
Coordinates from ORCA-job orca E -7409.255424163244
  N      -3.104118     -4.128995      1.862980
  C      -3.473100     -5.014893      0.765516
  C      -3.759266     -6.396704      1.332443
  N      -2.971940     -6.566823      2.582834
  C      -3.352122     -7.841537      3.276330
  C      -4.054318     -7.523366      4.596558
  N      -4.691359     -6.235113      4.409610
  Mo     -3.492607     -4.711362      3.812083
  N      -1.675293     -5.358528      4.478812
  C      -0.800534     -6.192868      3.655505
  C      -1.504975     -6.492606      2.341834
  H      -0.561520     -7.117629      4.208880
  H       0.155364     -5.686408      3.443960
  H      -1.145878     -7.435066      1.898196
  H      -1.314283     -5.685875      1.630519
  H      -4.782828     -8.310546      4.837293
  H      -3.330134     -7.465693      5.425686
  H      -4.027273     -8.399395      2.613445
  H      -2.454707     -8.452934      3.437162
  H      -2.653745     -5.060459      0.030981
  H      -4.358084     -4.613115      0.247875
  H      -3.496660     -7.186103      0.607918
  H      -4.814708     -6.504548      1.611094
  C      -2.559845     -2.929089      1.549790
  C      -2.280436     -2.460408      0.239356
  C      -1.794132     -1.181920      0.058010
  C      -1.601467     -0.308416      1.156304
  C      -1.851892     -0.744842      2.438047
  C      -2.284550     -2.074378      2.660113
  N      -2.581818     -2.601822      3.890191
  C      -2.086194     -2.064962      5.006707
  C      -0.792234     -1.474245      5.242747
  O      -0.469264     -0.808688      6.196352
  Cl      0.537069     -2.034056      4.077957
  C      -5.948985     -5.963371      4.847845
  C      -6.806490     -6.815420      5.577445
  C      -8.084212     -6.381668      5.894027
  C      -8.536526     -5.109329      5.492277
  C      -7.703507     -4.250684      4.791287
  C      -6.392971     -4.657681      4.480901
  N      -5.459258     -3.928882      3.766766
  C      -5.748206     -2.606143      3.491353
  C      -5.577132     -2.060923      2.211043
  O      -5.332635     -2.572342      1.132171
  Cl     -5.869463     -0.210249      2.255169
  C      -1.284202     -5.100602      5.757384
  C       0.000633     -5.352550      6.293837
  C       0.288956     -4.968497      7.591012
  C      -0.685468     -4.319023      8.381273
  C      -1.955563     -4.091562      7.888984
  C      -2.292769     -4.514137      6.582951
  N      -3.519222     -4.340534      5.983890
  C      -4.626648     -4.038844      6.710377
  C      -4.958868     -4.665094      7.951258
  O      -4.428464     -5.569605      8.559037
  Cl     -6.526547     -3.927426      8.617342
  H      -2.491735     -3.086835     -0.625014
  H      -1.602746     -0.820274     -0.953603
  H      -1.294288      0.723775      0.982320
  H      -1.759800     -0.065577      3.285226
  H      -2.670211     -2.163378      5.919632
  H      -6.464248     -7.795594      5.907605
  H      -8.744984     -7.034561      6.465683
  H      -9.551563     -4.795215      5.736659
  H      -8.056021     -3.272659      4.464971
  H      -6.213740     -1.995401      4.264926
  H       0.772716     -5.805474      5.673234
  H       1.288957     -5.133875      7.994067
  H      -0.426866     -3.975947      9.383556
  H      -2.696481     -3.565381      8.488493
  H      -5.383686     -3.409933      6.254564
  N      -7.658814     -5.045483      1.084267
  H      -8.170177     -5.200372      0.211799
  H      -6.683968     -4.893588      0.812622
  H      -7.967243     -4.132360      1.432927
  N       0.753815     -4.100842      0.909206
  N       1.057568     -3.551548      0.003662
77
Coordinates from ORCA-job orca E -7409.255518345317
  N      -3.100291     -4.131900      1.862361
  C      -3.469317     -5.016036      0.763018
  C      -3.766377     -6.395216      1.330263
  N      -2.976271     -6.569867      2.578327
  C      -3.359336     -7.844181      3.271422
  C      -4.060184     -7.525401      4.592407
  N      -4.694053     -6.235184      4.408141
  Mo     -3.495036     -4.711368      3.810201
  N      -1.676003     -5.357914      4.472740
  C      -0.805354     -6.199559      3.652235
  C      -1.509345     -6.498565      2.338389
  H      -0.573979     -7.124823      4.208330
  H       0.154634     -5.700552      3.441458
  H      -1.151297     -7.442349      1.896217
  H      -1.315231     -5.693823      1.625434
  H      -4.790920     -8.310500      4.832918
  H      -3.334768     -7.470995      5.420801
  H      -4.035807     -8.400280      2.608250
  H      -2.463591     -8.457993      3.432367
  H      -2.645792     -5.067017      0.033032
  H      -4.348555     -4.606451      0.240797
  H      -3.512998     -7.186747      0.604372
  H      -4.821829     -6.495253      1.612339
  C      -2.555808     -2.931489      1.550857
  C      -2.268820     -2.464574      0.241603
  C      -1.784861     -1.185754      0.061212
  C      -1.603655     -0.309454      1.159004
  C      -1.862454     -0.743531      2.439720
  C      -2.289837     -2.074282      2.661589
  N      -2.593029     -2.599816      3.891026
  C      -2.100834     -2.059665      5.007462
  C      -0.805533     -1.471895      5.242641
  O      -0.480174     -0.807000      6.196530
  Cl      0.520316     -2.036346      4.077196
  C      -5.951993     -5.962298      4.845823
  C      -6.811795     -6.813481      5.573613
  C      -8.089375     -6.377689      5.889118
  C      -8.539114     -5.104331      5.488586
  C      -7.703968     -4.246599      4.788821
  C      -6.394204     -4.655961      4.479291
  N      -5.457990     -3.928204      3.766485
  C      -5.746686     -2.605220      3.491316
  C      -5.570110     -2.056578      2.212943
  O      -5.323668     -2.565757      1.133128
  Cl     -5.857941     -0.204849      2.261101
  C      -1.282704     -5.096651      5.750093
  C       0.003249     -5.345942      6.284266
  C       0.293853     -4.957862      7.579558
  C      -0.679328     -4.307122      8.370370
  C      -1.950548     -4.083019      7.880550
  C      -2.290088     -4.509545      6.576386
  N      -3.518950     -4.340935      5.981145
  C      -4.625183     -4.045233      6.711310
  C      -4.948944     -4.673388      7.953669
  O      -4.409446     -5.573880      8.559055
  Cl     -6.518824     -3.947844      8.624785
  H      -2.471938     -3.094097     -0.622535
  H      -1.585937     -0.826041     -0.949423
  H      -1.297884      0.722293      0.985336
  H      -1.778158     -0.062346      3.286078
  H      -2.685439     -2.155001      5.920782
  H      -6.471211     -7.794503      5.902868
  H      -8.751831     -7.030072      6.459375
  H      -9.553879     -4.788506      5.732721
  H      -8.053198     -3.267143      4.463450
  H      -6.210102     -1.994542      4.266368
  H       0.773678     -5.800156      5.662538
  H       1.294654     -5.120567      7.981247
  H      -0.418056     -3.961353      9.370972
  H      -2.691918     -3.556354      8.479132
  H      -5.387401     -3.420848      6.258217
  N      -7.638699     -5.059401      1.104113
  H      -8.162058     -5.201869      0.235894
  H      -6.669615     -4.895372      0.817338
  H      -7.950371     -4.155204      1.469845
  N       0.758373     -4.102022      0.942030
  N       1.061223     -3.537209      0.045104
77
Coordinates from ORCA-job orca E -7409.255649180262
  N      -3.095496     -4.133273      1.860134
  C      -3.461167     -5.016182      0.758604
  C      -3.771833     -6.390878      1.327604
  N      -2.979929     -6.572356      2.573190
  C      -3.369446     -7.845624      3.264954
  C      -4.065331     -7.526157      4.587669
  N      -4.694221     -6.232953      4.408730
  Mo     -3.495097     -4.709199      3.806967
  N      -1.675672     -5.359479      4.466696
  C      -0.809294     -6.208880      3.649299
  C      -1.512981     -6.505741      2.335351
  H      -0.587737     -7.135206      4.207541
  H       0.154923     -5.717727      3.440445
  H      -1.157573     -7.450970      1.893795
  H      -1.315208     -5.702598      1.621685
  H      -4.799465     -8.307699      4.828670
  H      -3.337290     -7.477814      5.413746
  H      -4.049692     -8.395153      2.601534
  H      -2.478078     -8.465544      3.422211
  H      -2.630056     -5.075657      0.037949
  H      -4.330660     -4.601023      0.225173
  H      -3.532500     -7.186029      0.600867
  H      -4.826749     -6.480042      1.614410
  C      -2.552768     -2.931340      1.550044
  C      -2.257068     -2.465457      0.242666
  C      -1.778969     -1.184551      0.064208
  C      -1.613135     -0.305180      1.161490
  C      -1.879760     -0.738198      2.440951
  C      -2.299392     -2.071352      2.661318
  N      -2.606255     -2.597911      3.889585
  C      -2.116149     -2.054540      5.005956
  C      -0.819532     -1.467699      5.238562
  O      -0.491679     -0.800510      6.190142
  Cl      0.501700     -2.037196      4.071181
  C      -5.952016     -5.958487      4.845840
  C      -6.814268     -6.808034      5.572340
  C      -8.091955     -6.370298      5.885268
  C      -8.539188     -5.096592      5.484259
  C      -7.701651     -4.240163      4.785426
  C      -6.392543     -4.651681      4.478468
  N      -5.454694     -3.925566      3.765343
  C      -5.747133     -2.604553      3.484829
  C      -5.569970     -2.059885      2.205264
  O      -5.320752     -2.571762      1.127638
  Cl     -5.863806     -0.209190      2.248187
  C      -1.281203     -5.097360      5.743507
  C       0.004158     -5.349200      6.277328
  C       0.296285     -4.959092      7.571358
  C      -0.674043     -4.303837      8.361742
  C      -1.944909     -4.078293      7.872858
  C      -2.286354     -4.507521      6.570276
  N      -3.516083     -4.338511      5.977667
  C      -4.621147     -4.048308      6.710024
  C      -4.937960     -4.677921      7.953812
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  Cl     -6.507811     -3.962581      8.629884
  H      -2.447700     -3.098412     -0.621744
  H      -1.572301     -0.826150     -0.945280
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  H      -1.805334     -0.055450      3.286947
  H      -2.701207     -2.149632      5.919951
  H      -6.475861     -7.789797      5.901599
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  H      -9.553989     -4.779600      5.726633
  H      -8.048559     -3.260454      4.458828
  H      -6.210056     -1.990895      4.257911
  H       0.772333     -5.807324      5.655870
  H       1.296607     -5.123392      7.972879
  H      -0.410521     -3.956676      9.361141
  H      -2.684924     -3.548718      8.470402
  H      -5.386928     -3.426321      6.260130
  N      -7.610119     -5.075145      1.138376
  H      -8.149027     -5.208041      0.278136
  H      -6.650718     -4.895033      0.831019
  H      -7.927092     -4.180976      1.525552
  N       0.765286     -4.100610      0.985297
  N       1.070838     -3.516949      0.101013
77
Coordinates from ORCA-job orca E -7409.255823040055
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  C      -3.451905     -5.016334      0.753467
  C      -3.774782     -6.386465      1.324291
  N      -2.984839     -6.575173      2.569080
  C      -3.382397     -7.847754      3.258264
  C      -4.076734     -7.527609      4.580478
  N      -4.699730     -6.231085      4.406044
  Mo     -3.498220     -4.708390      3.802966
  N      -1.677423     -5.363004      4.459495
  C      -0.813394     -6.218289      3.645201
  C      -1.517539     -6.514294      2.332547
  H      -0.599435     -7.145047      4.205693
  H       0.152958     -5.731528      3.438082
  H      -1.166556     -7.461624      1.891768
  H      -1.316834     -5.713353      1.616932
  H      -4.815584     -8.305190      4.819558
  H      -3.348488     -7.486222      5.406570
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  H      -2.610744     -5.084079      0.044033
  H      -4.311487     -4.600697      0.204212
  H      -3.548833     -7.185825      0.597365
  H      -4.830455     -6.465350      1.613654
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  C      -1.894445     -0.734643      2.442180
  C      -2.310331     -2.069135      2.660300
  N      -2.622871     -2.597660      3.886537
  C      -2.135291     -2.052368      5.003711
  C      -0.839727     -1.463046      5.235736
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  Cl      0.482243     -2.040971      4.072076
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  C      -6.821782     -6.801458      5.568639
  C      -8.098376     -6.359772      5.881934
  C      -8.541807     -5.084563      5.482421
  C      -7.701588     -4.230526      4.783185
  C      -6.394552     -4.646262      4.475827
  N      -5.454802     -3.921514      3.762373
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  C      -1.278986     -5.096640      5.734209
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  C      -2.281538     -4.504434      6.561938
  N      -3.513621     -4.338654      5.972964
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  C      -4.921978     -4.692813      7.954588
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  Cl     -6.492711     -3.994344      8.641709
  H      -2.420326     -3.103941     -0.621247
  H      -1.550675     -0.830452     -0.940621
  H      -1.315722      0.728459      0.991593
  H      -1.829698     -0.050514      3.287735
  H      -2.722783     -2.147085      5.915936
  H      -6.486630     -7.784558      5.897356
  H      -8.765467     -7.008907      6.450236
  H      -9.555638     -4.764426      5.725986
  H      -8.046068     -3.249611      4.457481
  H      -6.219358     -1.987852      4.248548
  H       0.773615     -5.809879      5.644994
  H       1.303897     -5.115436      7.957085
  H      -0.398431     -3.941616      9.344836
  H      -2.675890     -3.537884      8.459356
  H      -5.388842     -3.438270      6.266764
  N      -7.570515     -5.095145      1.176371
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  H      -6.623491     -4.892801      0.844752
  H      -7.892233     -4.220108      1.597872
  N       0.776077     -4.099879      1.040322
  N       1.080172     -3.493666      0.170055
77
Coordinates from ORCA-job orca E -7409.256018739407
  N      -3.092582     -4.133202      1.853383
  C      -3.442286     -5.015356      0.747068
  C      -3.774725     -6.381158      1.319502
  N      -2.989113     -6.576980      2.565000
  C      -3.395031     -7.848636      3.250680
  C      -4.085676     -7.527796      4.573215
  N      -4.704247     -6.228844      4.402130
  Mo     -3.500096     -4.707678      3.797601
  N      -1.678879     -5.368625      4.453376
  C      -0.816185     -6.227803      3.641511
  C      -1.521132     -6.522255      2.329626
  H      -0.607408     -7.154791      4.203326
  H       0.151122     -5.743080      3.435791
  H      -1.175254     -7.471129      1.888403
  H      -1.318489     -5.721929      1.613920
  H      -4.827686     -8.302480      4.811744
  H      -3.356794     -7.491526      5.398680
  H      -4.079343     -8.383899      2.581697
  H      -2.511804     -8.480576      3.401161
  H      -2.591511     -5.089752      0.049240
  H      -4.292685     -4.604043      0.181633
  H      -3.560928     -7.184762      0.593500
  H      -4.831266     -6.450357      1.610430
  C      -2.550749     -2.929858      1.545640
  C      -2.234598     -2.466555      0.242578
  C      -1.760988     -1.183307      0.069433
  C      -1.621456     -0.299554      1.166064
  C      -1.906245     -0.730422      2.442766
  C      -2.320605     -2.066111      2.657475
  N      -2.635719     -2.599171      3.881522
  C      -2.148828     -2.053396      4.999659
  C      -0.855542     -1.458375      5.231254
  O      -0.530463     -0.778156      6.175051
  Cl      0.470851     -2.042953      4.072442
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  C      -6.825210     -6.794826      5.567312
  C      -8.100109     -6.350427      5.883581
  C      -8.541256     -5.073865      5.486117
  C      -7.700250     -4.221444      4.785137
  C      -6.395459     -4.640239      4.474082
  N      -5.456253     -3.916614      3.757526
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  C       0.008999     -5.353269      6.258223
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  C      -0.658936     -4.290614      8.337838
  C      -1.932160     -4.066637      7.852811
  C      -2.277958     -4.505359      6.555167
  N      -3.511107     -4.339816      5.967737
  C      -4.614028     -4.062619      6.706687
  C      -4.913334     -4.698477      7.952220
  O      -4.351807     -5.591438      8.546415
  Cl     -6.483319     -4.005177      8.644605
  H      -2.399846     -3.103382     -0.623882
  H      -1.537003     -0.828396     -0.937701
  H      -1.321389      0.733283      0.994492
  H      -1.849051     -0.046212      3.288741
  H      -2.739364     -2.149172      5.909556
  H      -6.492353     -7.779068      5.895224
  H      -8.767997     -6.997747      6.452973
  H      -9.553561     -4.751299      5.732760
  H      -8.045052     -3.239851      4.461489
  H      -6.234224     -1.984409      4.233541
  H       0.774358     -5.818825      5.639046
  H       1.307783     -5.118792      7.946817
  H      -0.391103     -3.936219      9.333507
  H      -2.668406     -3.532679      8.451536
  H      -5.387078     -3.441951      6.267016
  N      -7.528801     -5.115729      1.215758
  H      -8.110262     -5.219594      0.379309
  H      -6.596764     -4.888720      0.861489
  H      -7.853684     -4.260652      1.675238
  N       0.790386     -4.097147      1.096252
  N       1.094729     -3.470835      0.240859
77
Coordinates from ORCA-job orca E -7409.256235698985
  N      -3.094021     -4.129537      1.847412
  C      -3.432428     -5.012640      0.739314
  C      -3.770473     -6.375758      1.311630
  N      -2.992739     -6.577072      2.560036
  C      -3.404936     -7.848284      3.241563
  C      -4.093255     -7.527258      4.564351
  N      -4.710172     -6.227536      4.393855
  Mo     -3.502938     -4.707828      3.790804
  N      -1.682538     -5.375507      4.448439
  C      -0.818498     -6.234432      3.637628
  C      -1.523708     -6.527564      2.325978
  H      -0.608972     -7.161107      4.199598
  H       0.147634     -5.747172      3.432342
  H      -1.182119     -7.477398      1.884118
  H      -1.319455     -5.726635      1.611520
  H      -4.835986     -8.301350      4.802927
  H      -3.364429     -7.492309      5.389817
  H      -4.091154     -8.378307      2.570423
  H      -2.523941     -8.484201      3.388934
  H      -2.573323     -5.089956      0.051453
  H      -4.276781     -4.608499      0.160255
  H      -3.563573     -7.182832      0.587292
  H      -4.829010     -6.438919      1.599514
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  C      -2.230162     -2.462683      0.239019
  C      -1.755111     -1.178591      0.068703
  C      -1.619228     -0.295360      1.166462
  C      -1.907847     -0.727457      2.442299
  C      -2.326207     -2.063040      2.653419
  N      -2.642643     -2.601507      3.875411
  C      -2.155249     -2.058149      4.995472
  C      -0.865549     -1.456752      5.229727
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  Cl      0.470083     -2.046286      4.080051
  C      -5.962759     -5.945536      4.837153
  C      -6.824557     -6.789775      5.569832
  C      -8.095931     -6.343445      5.896578
  C      -8.537459     -5.065493      5.503621
  C      -7.700062     -4.214146      4.796594
  C      -6.397983     -4.634952      4.474227
  N      -5.462328     -3.912303      3.750456
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  C      -5.589437     -2.061820      2.173945
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  C       0.305950     -4.960096      7.542150
  C      -0.657950     -4.294035      8.331123
  C      -1.932028     -4.069265      7.846448
  C      -2.278479     -4.509670      6.549704
  N      -3.512077     -4.344070      5.961887
  C      -4.614155     -4.062373      6.701009
  C      -4.914583     -4.695022      7.947944
  O      -4.356876     -5.589236      8.544511
  Cl     -6.481421     -3.992394      8.640896
  H      -2.389663     -3.098272     -0.629364
  H      -1.527599     -0.823304     -0.937751
  H      -1.318312      0.738329      0.995997
  H      -1.853687     -0.044121      3.289226
  H      -2.749882     -2.154491      5.901799
  H      -6.491690     -7.774740      5.895763
  H      -8.760786     -6.989259      6.471219
  H      -9.546672     -4.740397      5.759630
  H      -8.048816     -3.231590      4.478986
  H      -6.255849     -1.983227      4.216517
  H       0.773407     -5.827903      5.635347
  H       1.308170     -5.125917      7.939399
  H      -0.390078     -3.937196      9.326011
  H      -2.665964     -3.534014      8.447047
  H      -5.384661     -3.438053      6.261524
  N      -7.494296     -5.139919      1.243514
  H      -8.096788     -5.231670      0.420152
  H      -6.575977     -4.885442      0.872295
  H      -7.820321     -4.308823      1.740811
  N       0.810975     -4.092526      1.147109
  N       1.115403     -3.450579      0.303639
77
Coordinates from ORCA-job orca E -7409.256472866448
  N      -3.097786     -4.125794      1.841529
  C      -3.430396     -5.009706      0.732496
  C      -3.771420     -6.372065      1.303497
  N      -2.998374     -6.575994      2.554397
  C      -3.412924     -7.846922      3.233408
  C      -4.096252     -7.525341      4.558389
  N      -4.715043     -6.226685      4.385713
  Mo     -3.506402     -4.708685      3.783966
  N      -1.686050     -5.379947      4.442715
  C      -0.822600     -6.239650      3.632265
  C      -1.528343     -6.530804      2.320226
  H      -0.611604     -7.165931      4.194224
  H       0.143397     -5.752122      3.426100
  H      -1.189887     -7.481102      1.877668
  H      -1.322234     -5.728929      1.607334
  H      -4.836250     -8.301138      4.800162
  H      -3.365648     -7.486784      5.382233
  H      -4.103694     -8.373853      2.564170
  H      -2.533007     -8.485652      3.377214
  H      -2.568632     -5.086095      0.047765
  H      -4.273841     -4.608153      0.150530
  H      -3.567976     -7.181724      0.581250
  H      -4.831526     -6.430203      1.589481
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  C      -2.230280     -2.458945      0.234556
  C      -1.750652     -1.175490      0.066717
  C      -1.612113     -0.294388      1.166207
  C      -1.902546     -0.727641      2.441305
  C      -2.327276     -2.061793      2.649642
  N      -2.644723     -2.603392      3.870210
  C      -2.157008     -2.062446      4.991648
  C      -0.870335     -1.457330      5.229784
  O      -0.555832     -0.766476      6.168601
  Cl      0.474913     -2.049284      4.088543
  C      -5.964739     -5.942934      4.834499
  C      -6.821657     -6.787608      5.572969
  C      -8.090936     -6.342694      5.907823
  C      -8.534970     -5.065179      5.516157
  C      -7.701970     -4.213810      4.803812
  C      -6.401161     -4.632524      4.473499
  N      -5.470322     -3.909171      3.743957
  C      -5.778664     -2.595073      3.450562
  C      -5.598235     -2.059915      2.166419
  O      -5.314944     -2.569892      1.094680
  Cl     -5.953061     -0.217742      2.187976
  C      -1.281483     -5.109501      5.714123
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  C       0.305161     -4.964815      7.535141
  C      -0.658238     -4.298792      8.324740
  C      -1.932922     -4.073479      7.840866
  C      -2.280329     -4.513357      6.544120
  N      -3.514408     -4.349348      5.956391
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  C      -4.921287     -4.682168      7.943748
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  Cl     -6.485729     -3.961246      8.630811
  H      -2.390354     -3.091545     -0.635889
  H      -1.521932     -0.819098     -0.939166
  H      -1.308290      0.739081      0.997104
  H      -1.847411     -0.045746      3.289337
  H      -2.755732     -2.156272      5.895254
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  H      -8.751774     -6.988576      6.487262
  H      -9.542073     -4.739604      5.778690
  H      -8.055482     -3.232207      4.490002
  H      -6.277876     -1.985178      4.205555
  H       0.772358     -5.831690      5.628908
  H       1.308098     -5.131439      7.930679
  H      -0.390520     -3.941004      9.319346
  H      -2.664965     -3.538137      8.443578
  H      -5.382121     -3.431404      6.251007
  N      -7.457174     -5.167091      1.265187
  H      -8.082530     -5.241146      0.458457
  H      -6.555279     -4.882172      0.880157
  H      -7.780488     -4.360983      1.807524
  N       0.832798     -4.087029      1.200122
  N       1.136956     -3.431926      0.367864
77
Coordinates from ORCA-job orca E -7409.256764044592
  N      -3.101461     -4.119114      1.832017
  C      -3.427820     -5.004097      0.721880
  C      -3.771727     -6.366506      1.289917
  N      -3.003032     -6.571737      2.543295
  C      -3.417571     -7.842900      3.219874
  C      -4.092274     -7.521839      4.550550
  N      -4.716056     -6.225707      4.376265
  Mo     -3.508493     -4.707878      3.774517
  N      -1.692004     -5.384221      4.437794
  C      -0.828801     -6.242654      3.626673
  C      -1.532116     -6.528372      2.311226
  H      -0.615068     -7.169765      4.186756
  H       0.138007     -5.755350      3.420522
  H      -1.193782     -7.477460      1.866342
  H      -1.322527     -5.722551      1.603940
  H      -4.826292     -8.301419      4.799033
  H      -3.356618     -7.476513      5.369867
  H      -4.116408     -8.367168      2.555469
  H      -2.538273     -8.484586      3.358790
  H      -2.565296     -5.077227      0.038808
  H      -4.272272     -4.601392      0.141421
  H      -3.569064     -7.177804      0.569740
  H      -4.833088     -6.421417      1.571230
  C      -2.557718     -2.916014      1.528066
  C      -2.234866     -2.451276      0.226657
  C      -1.750940     -1.168018      0.060751
  C      -1.604290     -0.290359      1.162656
  C      -1.891790     -0.726382      2.437467
  C      -2.323958     -2.058708      2.643810
  N      -2.639360     -2.602818      3.863816
  C      -2.149728     -2.066761      4.986919
  C      -0.865537     -1.459847      5.229731
  O      -0.556955     -0.769752      6.169569
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  C      -5.962037     -5.941361      4.834677
  C      -6.809185     -6.787221      5.583864
  C      -8.075632     -6.345873      5.932379
  C      -8.526972     -5.070250      5.541884
  C      -7.704045     -4.217978      4.819348
  C      -6.403317     -4.632064      4.476046
  N      -5.480573     -3.908486      3.736098
  C      -5.789882     -2.595973      3.441379
  C      -5.609069     -2.063233      2.156221
  O      -5.323501     -2.575709      1.086871
  Cl     -5.966605     -0.222383      2.175000
  C      -1.290352     -5.119574      5.710936
  C      -0.005552     -5.381917      6.243788
  C       0.294479     -4.986916      7.535402
  C      -0.667841     -4.319435      8.325124
  C      -1.940864     -4.087314      7.839550
  C      -2.288969     -4.521699      6.540668
  N      -3.520996     -4.352905      5.950037
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  C      -4.940863     -4.644941      7.936872
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  Cl     -6.496766     -3.883500      8.609155
  H      -2.401614     -3.079984     -0.645586
  H      -1.525271     -0.808480     -0.944813
  H      -1.298318      0.743835      0.995038
  H      -1.831419     -0.046614      3.287022
  H      -2.750075     -2.158971      5.889560
  H      -6.467319     -7.769818      5.907351
  H      -8.727384     -6.992443      6.521404
  H      -9.531193     -4.745302      5.815733
  H      -8.066008     -3.237036      4.511781
  H      -6.298925     -1.989703      4.192751
  H       0.762027     -5.847827      5.627301
  H       1.296798     -5.158802      7.930930
  H      -0.401150     -3.964326      9.321103
  H      -2.669874     -3.549499      8.443449
  H      -5.376685     -3.407645      6.229204
  N      -7.426944     -5.206259      1.280536
  H      -8.077718     -5.266736      0.491976
  H      -6.541896     -4.882808      0.884468
  H      -7.747003     -4.430125      1.863827
  N       0.861569     -4.076400      1.257122
  N       1.169631     -3.408852      0.436417
77
Coordinates from ORCA-job orca E -7409.257042848948
  N      -3.108070     -4.116184      1.826464
  C      -3.437691     -5.000864      0.716130
  C      -3.781883     -6.364627      1.282062
  N      -3.010059     -6.567429      2.534835
  C      -3.421211     -7.839218      3.212190
  C      -4.088785     -7.518930      4.547480
  N      -4.716865     -6.224832      4.372557
  Mo     -3.512432     -4.707086      3.768924
  N      -1.696893     -5.382854      4.432165
  C      -0.836927     -6.243668      3.620240
  C      -1.539102     -6.524083      2.302771
  H      -0.625021     -7.172383      4.178638
  H       0.132801     -5.761176      3.414917
  H      -1.199912     -7.472088      1.856038
  H      -1.326400     -5.716516      1.597888
  H      -4.817969     -8.301304      4.801295
  H      -3.348384     -7.468363      5.362464
  H      -4.126595     -8.363054      2.553754
  H      -2.542034     -8.482105      3.347936
  H      -2.579845     -5.069464      0.027595
  H      -4.286606     -4.591336      0.146273
  H      -3.577381     -7.176013      0.563100
  H      -4.843303     -6.417782      1.563470
  C      -2.560528     -2.914681      1.523123
  C      -2.238331     -2.450594      0.221195
  C      -1.747125     -1.170454      0.055549
  C      -1.592326     -0.294827      1.158199
  C      -1.880598     -0.729797      2.432872
  C      -2.319260     -2.059385      2.639811
  N      -2.635754     -2.600264      3.860301
  C      -2.147108     -2.066146      4.983914
  C      -0.863013     -1.462356      5.231084
  O      -0.556942     -0.776443      6.175173
  Cl      0.491986     -2.044582      4.098414
  C      -5.961742     -5.941922      4.834755
  C      -6.804621     -6.788919      5.587955
  C      -8.071951     -6.351210      5.937838
  C      -8.527474     -5.078300      5.543228
  C      -7.707826     -4.225621      4.817700
  C      -6.406341     -4.634866      4.474891
  N      -5.487967     -3.909239      3.733399
  C      -5.797805     -2.596731      3.442426
  C      -5.612121     -2.057538      2.160382
  O      -5.326522     -2.568172      1.090507
  Cl     -5.961009     -0.215582      2.185764
  C      -1.295993     -5.120410      5.705763
  C      -0.011286     -5.384108      6.236604
  C       0.290604     -4.991692      7.528442
  C      -0.670663     -4.324677      8.319874
  C      -1.943202     -4.090501      7.835740
  C      -2.293906     -4.521922      6.536169
  N      -3.525553     -4.352897      5.946377
  C      -4.622129     -4.026830      6.678216
  C      -4.948859     -4.624333      7.934498
  O      -4.430776     -5.525427      8.556418
  Cl     -6.500083     -3.842654      8.601135
  H      -2.413440     -3.077124     -0.651203
  H      -1.521180     -0.810754     -0.949636
  H      -1.280072      0.737035      0.991356
  H      -1.813672     -0.050793      3.282648
  H      -2.748639     -2.153897      5.886926
  H      -6.457881     -7.769455      5.912249
  H      -8.719950     -6.998835      6.529978
  H      -9.532128     -4.754860      5.816926
  H      -8.071675     -3.246950      4.508177
  H      -6.310966     -1.995984      4.195262
  H       0.754953     -5.849018      5.617646
  H       1.292935     -5.164641      7.922676
  H      -0.402743     -3.971806      9.316209
  H      -2.671004     -3.551916      8.440091
  H      -5.376126     -3.397228      6.218973
  N      -7.390612     -5.239034      1.292771
  H      -8.067599     -5.275065      0.525462
  H      -6.524083     -4.881217      0.886787
  H      -7.702317     -4.493003      1.923534
  N       0.881445     -4.068371      1.312842
  N       1.191634     -3.391119      0.500944
77
Coordinates from ORCA-job orca E -7409.257345862801
  N      -3.115970     -4.110645      1.815371
  C      -3.450649     -4.995121      0.704086
  C      -3.791694     -6.361251      1.268781
  N      -3.014194     -6.557752      2.520003
  C      -3.419914     -7.831136      3.199125
  C      -4.076297     -7.513653      4.542339
  N      -4.709664     -6.221275      4.373211
  Mo     -3.513080     -4.700378      3.761229
  N      -1.705261     -5.380443      4.429104
  C      -0.847266     -6.239433      3.614080
  C      -1.544084     -6.509336      2.291289
  H      -0.638634     -7.172593      4.166921
  H       0.125568     -5.762011      3.412946
  H      -1.200214     -7.453472      1.839191
  H      -1.328665     -5.695863      1.593915
  H      -4.800323     -8.298567      4.802930
  H      -3.327117     -7.460514      5.349420
  H      -4.134678     -8.352496      2.548132
  H      -2.541386     -8.476691      3.328316
  H      -2.599072     -5.057419      0.008499
  H      -4.305190     -4.578527      0.146885
  H      -3.581266     -7.171669      0.550796
  H      -4.851450     -6.418033      1.548655
  C      -2.563684     -2.911234      1.512707
  C      -2.244276     -2.448395      0.210094
  C      -1.744651     -1.172595      0.042805
  C      -1.577627     -0.298842      1.144929
  C      -1.864893     -0.731692      2.420134
  C      -2.310450     -2.057861      2.629557
  N      -2.624564     -2.593271      3.852061
  C      -2.138276     -2.061623      4.976407
  C      -0.856520     -1.455208      5.228937
  O      -0.557922     -0.774450      6.180094
  Cl      0.501116     -2.021230      4.098004
  C      -5.954070     -5.943128      4.841192
  C      -6.788914     -6.792794      5.600370
  C      -8.057750     -6.361964      5.954195
  C      -8.523047     -5.093044      5.557747
  C      -7.711943     -4.236242      4.827993
  C      -6.406974     -4.638609      4.481087
  N      -5.493606     -3.911442      3.734042
  C      -5.800345     -2.598686      3.446363
  C      -5.610941     -2.054667      2.165868
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  Cl     -5.934450     -0.209033      2.197749
  C      -1.310290     -5.129465      5.707148
  C      -0.029319     -5.405718      6.240012
  C       0.272372     -5.022306      7.534326
  C      -0.685699     -4.349855      8.325389
  C      -1.953761     -4.102250      7.838286
  C      -2.306426     -4.525368      6.535884
  N      -3.533391     -4.342242      5.942747
  C      -4.628319     -3.999232      6.668175
  C      -4.967584     -4.583244      7.927948
  O      -4.464799     -5.487609      8.556984
  Cl     -6.510572     -3.773074      8.583928
  H      -2.432466     -3.073721     -0.660617
  H      -1.519693     -0.813620     -0.962536
  H      -1.256259      0.729240      0.978302
  H      -1.786464     -0.053404      3.269576
  H      -2.737319     -2.152950      5.881778
  H      -6.432998     -7.769996      5.925000
  H      -8.698010     -7.012822      6.551040
  H      -9.528799     -4.774919      5.833786
  H      -8.081982     -3.259153      4.518555
  H      -6.306792     -1.998422      4.204093
  H       0.733113     -5.874130      5.618894
  H       1.271632     -5.204877      7.931581
  H      -0.417058     -4.004676      9.324235
  H      -2.678803     -3.557560      8.440380
  H      -5.374160     -3.366080      6.201287
  N      -7.371195     -5.286931      1.302295
  H      -8.073589     -5.310077      0.557634
  H      -6.523715     -4.887673      0.889636
  H      -7.676166     -4.571942      1.969260
  N       0.909829     -4.049436      1.366474
  N       1.227877     -3.363921      0.564092
77
Coordinates from ORCA-job orca E -7409.257480667925
  N      -3.117922     -4.109997      1.813756
  C      -3.452614     -4.993134      0.701696
  C      -3.796026     -6.358305      1.266187
  N      -3.018598     -6.557471      2.516956
  C      -3.427227     -7.830797      3.194887
  C      -4.082864     -7.514210      4.537926
  N      -4.712878     -6.219916      4.372814
  Mo     -3.515425     -4.699905      3.760095
  N      -1.707039     -5.380726      4.425044
  C      -0.850691     -6.242093      3.610406
  C      -1.548542     -6.510867      2.288249
  H      -0.645869     -7.175737      4.163649
  H       0.123194     -5.766382      3.410258
  H      -1.206378     -7.455184      1.835298
  H      -1.332615     -5.697947      1.590356
  H      -4.809599     -8.297100      4.796547
  H      -3.333702     -7.465875      5.345022
  H      -4.141885     -8.349098      2.542146
  H      -2.550182     -8.478129      3.322506
  H      -2.598980     -5.058041      0.008458
  H      -4.304284     -4.576697      0.140492
  H      -3.587607     -7.168869      0.547341
  H      -4.856396     -6.413807      1.545258
  C      -2.562420     -2.911562      1.512030
  C      -2.239359     -2.448938      0.209887
  C      -1.736997     -1.174061      0.042728
  C      -1.571169     -0.300016      1.144430
  C      -1.862310     -0.732053      2.419246
  C      -2.310284     -2.057957      2.628674
  N      -2.628710     -2.591789      3.851022
  C      -2.147168     -2.058873      4.976972
  C      -0.865665     -1.451778      5.234523
  O      -0.571753     -0.768351      6.185060
  Cl      0.495783     -2.021051      4.110830
  C      -5.956749     -5.940800      4.841094
  C      -6.794072     -6.788867      5.598932
  C      -8.062297     -6.354919      5.951665
  C      -8.524518     -5.084980      5.555367
  C      -7.710599     -4.229906      4.826499
  C      -6.407279     -4.635408      4.481767
  N      -5.493937     -3.909740      3.734523
  C      -5.802018     -2.598110      3.443568
  C      -5.614408     -2.058278      2.161603
  O      -5.341467     -2.573712      1.091772
  Cl     -5.933995     -0.212759      2.189919
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  C      -0.026814     -5.402612      6.232989
  C       0.276925     -5.016527      7.526026
  C      -0.679845     -4.342842      8.317551
  C      -1.949059     -4.096630      7.832339
  C      -2.303481     -4.522477      6.531463
  N      -3.531960     -4.340711      5.940561
  C      -4.626302     -4.003647      6.669422
  C      -4.959218     -4.593952      7.927915
  O      -4.449757     -5.498144      8.551423
  Cl     -6.502973     -3.794888      8.592338
  H      -2.426354     -3.074469     -0.660626
  H      -1.509103     -0.816046     -0.962472
  H      -1.247532      0.727802      0.977886
  H      -1.785399     -0.053176      3.268273
  H      -2.750695     -2.150649      5.879272
  H      -6.441033     -7.767090      5.923453
  H      -8.704930     -7.004451      6.547351
  H      -9.530168     -4.765051      5.829983
  H      -8.078379     -3.252709      4.515348
  H      -6.305565     -1.994116      4.200002
  H       0.734175     -5.872752      5.611530
  H       1.276779     -5.198142      7.922140
  H      -0.409341     -3.995943      9.315302
  H      -2.673743     -3.551757      8.434819
  H      -5.375055     -3.370040      6.207993
  N      -7.354765     -5.309157      1.318331
  H      -8.068784     -5.319934      0.582638
  H      -6.517791     -4.890325      0.894412
  H      -7.662219     -4.611880      2.012349
  N       0.924423     -4.047242      1.400453
  N       1.242431     -3.347401      0.607648
77
Coordinates from ORCA-job orca E -7409.257527287750
  N      -3.127016     -4.108010      1.811397
  C      -3.474821     -4.989735      0.702556
  C      -3.804968     -6.357062      1.271531
  N      -3.018656     -6.550806      2.518389
  C      -3.427123     -7.825616      3.199550
  C      -4.078343     -7.512024      4.542300
  N      -4.702375     -6.214228      4.390907
  Mo     -3.510911     -4.692526      3.764380
  N      -1.708026     -5.376827      4.428630
  C      -0.850864     -6.235997      3.610138
  C      -1.550041     -6.499150      2.289051
  H      -0.655491     -7.174525      4.157516
  H       0.123663     -5.758099      3.419664
  H      -1.206462     -7.440238      1.830617
  H      -1.338941     -5.685736      1.590012
  H      -4.811801     -8.288994      4.796986
  H      -3.326879     -7.477545      5.346825
  H      -4.140700     -8.337866      2.543780
  H      -2.551577     -8.475072      3.319053
  H      -2.626214     -5.055446      0.000913
  H      -4.329715     -4.579329      0.144093
  H      -3.587435     -7.164157      0.549978
  H      -4.865351     -6.423437      1.551861
  C      -2.565372     -2.911725      1.506355
  C      -2.246802     -2.449017      0.202543
  C      -1.740388     -1.177322      0.028987
  C      -1.567774     -0.301129      1.126279
  C      -1.856018     -0.730170      2.403132
  C      -2.304959     -2.055927      2.618414
  N      -2.620671     -2.583118      3.844479
  C      -2.147797     -2.047085      4.972102
  C      -0.870061     -1.429731      5.239292
  O      -0.589013     -0.743189      6.192728
  Cl      0.493739     -1.988503      4.124870
  C      -5.947800     -5.938735      4.853483
  C      -6.794744     -6.781999      5.603955
  C      -8.066114     -6.341949      5.938506
  C      -8.521606     -5.073718      5.531483
  C      -7.696446     -4.224567      4.808613
  C      -6.395599     -4.635139      4.487534
  N      -5.483264     -3.911510      3.745942
  C      -5.797421     -2.601970      3.451821
  C      -5.623763     -2.069429      2.167253
  O      -5.371023     -2.592633      1.099380
  Cl     -5.922949     -0.222155      2.192402
  C      -1.309605     -5.129759      5.707536
  C      -0.031604     -5.418324      6.240515
  C       0.270626     -5.036927      7.534408
  C      -0.681310     -4.354648      8.324011
  C      -1.946067     -4.094966      7.836016
  C      -2.299645     -4.517395      6.534803
  N      -3.523925     -4.318209      5.942259
  C      -4.619976     -3.999329      6.672674
  C      -4.945987     -4.614250      7.920689
  O      -4.421895     -5.522355      8.523408
  Cl     -6.493166     -3.854909      8.602509
  H      -2.440889     -3.077349     -0.663528
  H      -1.514808     -0.823792     -0.978257
  H      -1.239107      0.725018      0.956913
  H      -1.773651     -0.049004      3.249642
  H      -2.750805     -2.156571      5.870082
  H      -6.448876     -7.760176      5.935199
  H      -8.719155     -6.987568      6.526622
  H      -9.532117     -4.753644      5.787728
  H      -8.055454     -3.253180      4.476242
  H      -6.278500     -1.985178      4.211015
  H       0.723048     -5.898273      5.619479
  H       1.265485     -5.229274      7.935395
  H      -0.409743     -4.014280      9.323353
  H      -2.669293     -3.545747      8.436422
  H      -5.370299     -3.357536      6.226825
  N      -7.351360     -5.323305      1.323798
  H      -8.066654     -5.334493      0.606116
  H      -6.529320     -4.893396      0.902071
  H      -7.657010     -4.645610      2.019951
  N       0.928230     -4.035010      1.420508
  N       1.258812     -3.335898      0.633439
77
Coordinates from ORCA-job orca E -7409.257899484770
  N      -3.131609     -4.105595      1.806700
  C      -3.479897     -4.987583      0.696934
  C      -3.808163     -6.355624      1.265768
  N      -3.023675     -6.547523      2.513628
  C      -3.429971     -7.822917      3.193536
  C      -4.079194     -7.510122      4.537951
  N      -4.705818     -6.213368      4.384646
  Mo     -3.514999     -4.690604      3.759827
  N      -1.713164     -5.377323      4.425526
  C      -0.855989     -6.234522      3.605596
  C      -1.554761     -6.496017      2.283472
  H      -0.657770     -7.173166      4.151964
  H       0.117696     -5.756239      3.414048
  H      -1.211563     -7.437028      1.824290
  H      -1.343464     -5.681152      1.585989
  H      -4.810225     -8.289555      4.794145
  H      -3.326879     -7.472216      5.342155
  H      -4.145584     -8.335743      2.539928
  H      -2.553743     -8.471773      3.311792
  H      -2.633751     -5.050474     -0.006846
  H      -4.338284     -4.576984      0.142627
  H      -3.589755     -7.163807      0.546522
  H      -4.869079     -6.421971      1.546027
  C      -2.564945     -2.912076      1.502050
  C      -2.243258     -2.452458      0.198097
  C      -1.729007     -1.183711      0.025164
  C      -1.551391     -0.308502      1.123168
  C      -1.842782     -0.735509      2.400005
  C      -2.300108     -2.057610      2.614601
  N      -2.619653     -2.583659      3.840365
  C      -2.148282     -2.048590      4.968536
  C      -0.874788     -1.425849      5.238362
  O      -0.600208     -0.734916      6.190484
  Cl      0.499273     -1.983831      4.132477
  C      -5.950655     -5.939756      4.849117
  C      -6.792917     -6.787916      5.600307
  C      -8.064427     -6.353412      5.941496
  C      -8.525312     -5.084449      5.541221
  C      -7.705466     -4.228482      4.819073
  C      -6.401456     -4.635053      4.487613
  N      -5.489231     -3.907636      3.742586
  C      -5.799784     -2.595972      3.454503
  C      -5.617037     -2.054958      2.172187
  O      -5.358594     -2.571673      1.099456
  Cl     -5.916282     -0.206113      2.203013
  C      -1.313641     -5.130428      5.704153
  C      -0.034693     -5.418802      6.236341
  C       0.269660     -5.036433      7.529953
  C      -0.681773     -4.353640      8.320185
  C      -1.947753     -4.094716      7.833334
  C      -2.303338     -4.517718      6.532258
  N      -3.528713     -4.320339      5.940347
  C      -4.624299     -3.995303      6.670688
  C      -4.952599     -4.602716      7.922670
  O      -4.432476     -5.510502      8.532444
  Cl     -6.499568     -3.830491      8.599177
  H      -2.441096     -3.079118     -0.669118
  H      -1.501012     -0.831466     -0.982088
  H      -1.216630      0.715139      0.954017
  H      -1.757106     -0.054636      3.246522
  H      -2.753280     -2.157793      5.866619
  H      -6.442415     -7.766510      5.927173
  H      -8.712605     -7.003264      6.530745
  H      -9.535079     -4.767406      5.804604
  H      -8.072792     -3.255594      4.498490
  H      -6.285852     -1.984569      4.216303
  H       0.720354     -5.898132      5.614874
  H       1.266018     -5.228173      7.929638
  H      -0.408839     -4.011620      9.318915
  H      -2.669990     -3.544556      8.434164
  H      -5.373765     -3.353811      6.220361
  N      -7.340394     -5.348718      1.331382
  H      -8.074867     -5.343382      0.620880
  H      -6.529265     -4.893606      0.904287
  H      -7.639157     -4.692599      2.060516
  N       0.952108     -4.028799      1.449451
  N       1.280893     -3.325342      0.668133
77
Coordinates from ORCA-job orca E -7409.258020399825
  N      -3.134860     -4.102114      1.802111
  C      -3.484458     -4.984910      0.692778
  C      -3.811997     -6.353010      1.262306
  N      -3.027739     -6.545148      2.509679
  C      -3.433781     -7.821078      3.188027
  C      -4.080752     -7.508313      4.534214
  N      -4.707331     -6.211296      4.380935
  Mo     -3.516244     -4.688937      3.756900
  N      -1.715255     -5.376870      4.422277
  C      -0.860087     -6.235436      3.601442
  C      -1.558986     -6.493960      2.278576
  H      -0.663856     -7.174933      4.147350
  H       0.114727     -5.759666      3.409577
  H      -1.216139     -7.434215      1.817459
  H      -1.348128     -5.676856      1.583650
  H      -4.811510     -8.288058      4.791376
  H      -3.327690     -7.469540      5.338324
  H      -4.151947     -8.332942      2.534502
  H      -2.556848     -8.471088      3.303759
  H      -2.639562     -5.048646     -0.011774
  H      -4.343683     -4.575048      0.139141
  H      -3.592476     -7.160762      0.543356
  H      -4.873140     -6.419350      1.543256
  C      -2.564316     -2.910854      1.498236
  C      -2.240951     -2.453441      0.193854
  C      -1.722478     -1.186154      0.020328
  C      -1.541973     -0.310701      1.118246
  C      -1.834470     -0.736244      2.395242
  C      -2.295944     -2.056608      2.610716
  N      -2.616632     -2.580495      3.837306
  C      -2.150071     -2.044434      4.965955
  C      -0.882435     -1.412746      5.240345
  O      -0.617590     -0.719097      6.192942
  Cl      0.502092     -1.964372      4.143795
  C      -5.951426     -5.937652      4.846739
  C      -6.792380     -6.788124      5.597170
  C      -8.063334     -6.355633      5.942067
  C      -8.525896     -5.085720      5.546922
  C      -7.708143     -4.225925      4.826437
  C      -6.402437     -4.631455      4.488785
  N      -5.489818     -3.903577      3.740835
  C      -5.796038     -2.590652      3.452371
  C      -5.616685     -2.053800      2.167319
  O      -5.364032     -2.574134      1.094323
  Cl     -5.910396     -0.203611      2.193334
  C      -1.314730     -5.132475      5.701319
  C      -0.036313     -5.424183      6.233754
  C       0.268784     -5.043952      7.528168
  C      -0.681668     -4.360232      8.318712
  C      -1.947461     -4.098088      7.831514
  C      -2.303653     -4.519018      6.529836
  N      -3.529102     -4.319039      5.937576
  C      -4.624121     -3.990559      6.669213
  C      -4.956504     -4.599969      7.919582
  O      -4.442229     -5.513197      8.527199
  Cl     -6.498658     -3.819261      8.599455
  H      -2.440996     -3.079815     -0.673440
  H      -1.493682     -0.835258     -0.987300
  H      -1.204514      0.711987      0.948694
  H      -1.747595     -0.054860      3.241305
  H      -2.755932     -2.159087      5.862398
  H      -6.441082     -7.767264      5.921409
  H      -8.709733     -7.007503      6.531161
  H      -9.534896     -4.769722      5.814945
  H      -8.080892     -3.252560      4.515547
  H      -6.275118     -1.975595      4.215327
  H       0.718540     -5.903984      5.612345
  H       1.265037     -5.238535      7.927982
  H      -0.408399     -4.019601      9.317921
  H      -2.668854     -3.547264      8.432888
  H      -5.369833     -3.343531      6.220370
  N      -7.334502     -5.376961      1.345569
  H      -8.083481     -5.363892      0.648758
  H      -6.536127     -4.897406      0.913170
  H      -7.625941     -4.741803      2.094291
  N       0.974363     -4.022123      1.483617
  N       1.306478     -3.306123      0.711749
77
Coordinates from ORCA-job orca E -7409.258075542052
  N      -3.143519     -4.103047      1.803276
  C      -3.502045     -4.985298      0.697826
  C      -3.813573     -6.358536      1.268909
  N      -3.027647     -6.544785      2.515696
  C      -3.426437     -7.822362      3.196966
  C      -4.081356     -7.508617      4.539611
  N      -4.709858     -6.212070      4.382955
  Mo     -3.518984     -4.689803      3.760145
  N      -1.716045     -5.371234      4.423154
  C      -0.858316     -6.225803      3.599227
  C      -1.559892     -6.488440      2.278462
  H      -0.658457     -7.164402      4.145424
  H       0.113284     -5.746473      3.404191
  H      -1.216006     -7.428216      1.816929
  H      -1.356588     -5.670737      1.582439
  H      -4.812500     -8.288699      4.794314
  H      -3.332925     -7.467581      5.347623
  H      -4.136485     -8.342346      2.541293
  H      -2.544143     -8.464300      3.316496
  H      -2.665158     -5.044615     -0.016335
  H      -4.368686     -4.581718      0.152335
  H      -3.580677     -7.160496      0.548773
  H      -4.872134     -6.438291      1.550487
  C      -2.565124     -2.916680      1.496872
  C      -2.243200     -2.463495      0.190768
  C      -1.717475     -1.199624      0.013195
  C      -1.528168     -0.322924      1.108924
  C      -1.819385     -0.744354      2.387384
  C      -2.287833     -2.061571      2.606539
  N      -2.610655     -2.579897      3.834622
  C      -2.148875     -2.040987      4.962501
  C      -0.885977     -1.401069      5.240929
  O      -0.630237     -0.702395      6.191111
  Cl      0.507446     -1.948656      4.155293
  C      -5.957299     -5.938411      4.844612
  C      -6.802711     -6.790689      5.588002
  C      -8.074068     -6.357473      5.931315
  C      -8.533994     -5.084016      5.544010
  C      -7.713262     -4.220725      4.830746
  C      -6.406693     -4.629444      4.491218
  N      -5.488989     -3.902834      3.746700
  C      -5.788742     -2.585779      3.467328
  C      -5.612996     -2.043583      2.183972
  O      -5.362274     -2.558524      1.107675
  Cl     -5.908580     -0.192609      2.219394
  C      -1.313164     -5.125383      5.701484
  C      -0.034206     -5.414119      6.233676
  C       0.269264     -5.034458      7.528899
  C      -0.683167     -4.354837      8.320120
  C      -1.949778     -4.094865      7.832776
  C      -2.303186     -4.514722      6.530436
  N      -3.529384     -4.316128      5.937768
  C      -4.626339     -3.999706      6.672763
  C      -4.954958     -4.624905      7.915901
  O      -4.434560     -5.542138      8.512545
  Cl     -6.498320     -3.861908      8.606616
  H      -2.450326     -3.089532     -0.675180
  H      -1.490806     -0.852631     -0.996241
  H      -1.185883      0.697750      0.936507
  H      -1.728281     -0.061276      3.231617
  H      -2.756081     -2.162681      5.856626
  H      -6.455186     -7.771927      5.909430
  H      -8.723394     -7.011060      6.514968
  H      -9.542525     -4.767709      5.813966
  H      -8.083698     -3.238322      4.529174
  H      -6.257542     -1.970589      4.236291
  H       0.722285     -5.891782      5.612735
  H       1.265598     -5.227776      7.929284
  H      -0.411281     -4.015639      9.320184
  H      -2.673767     -3.548521      8.435154
  H      -5.373413     -3.348515      6.231692
  N      -7.329130     -5.376769      1.325536
  H      -8.082393     -5.340796      0.624833
  H      -6.534674     -4.888059      0.903168
  H      -7.611513     -4.755015      2.091009
  N       0.982742     -4.024798      1.467018
  N       1.304393     -3.306055      0.693459
77
Coordinates from ORCA-job orca E -7409.258121561918
  N      -3.145612     -4.098736      1.799878
  C      -3.507439     -4.981916      0.695617
  C      -3.819944     -6.354346      1.268498
  N      -3.032483     -6.541152      2.513141
  C      -3.433426     -7.818019      3.194054
  C      -4.080780     -7.503823      4.538961
  N      -4.706669     -6.206207      4.384684
  Mo     -3.517730     -4.684127      3.757686
  N      -1.717844     -5.370861      4.421076
  C      -0.863657     -6.229543      3.597787
  C      -1.564418     -6.486858      2.276531
  H      -0.671145     -7.170392      4.142906
  H       0.111502     -5.755541      3.405990
  H      -1.221465     -7.425940      1.813110
  H      -1.359446     -5.667732      1.582310
  H      -4.812264     -8.282457      4.796455
  H      -3.329257     -7.464288      5.343898
  H      -4.149141     -8.333333      2.541055
  H      -2.553724     -8.464331      3.308192
  H      -2.670816     -5.043296     -0.019637
  H      -4.374036     -4.577933      0.150301
  H      -3.587718     -7.156716      0.547993
  H      -4.879307     -6.433343      1.554056
  C      -2.565893     -2.913431      1.492572
  C      -2.245787     -2.461970      0.185572
  C      -1.719577     -1.198749      0.005603
  C      -1.528652     -0.321031      1.099827
  C      -1.818313     -0.740891      2.379249
  C      -2.285935     -2.057913      2.601062
  N      -2.606940     -2.575375      3.830678
  C      -2.146506     -2.035223      4.958425
  C      -0.886641     -1.388745      5.237621
  O      -0.635976     -0.687160      6.187354
  Cl      0.510161     -1.929623      4.154644
  C      -5.952709     -5.933390      4.844975
  C      -6.797004     -6.788608      5.585993
  C      -8.069741     -6.360126      5.925524
  C      -8.530807     -5.088817      5.536153
  C      -7.710272     -4.223241      4.825601
  C      -6.403034     -4.625364      4.490728
  N      -5.486450     -3.897146      3.746580
  C      -5.787916     -2.580646      3.464595
  C      -5.618228     -2.044190      2.178358
  O      -5.372171     -2.564559      1.103426
  Cl     -5.913440     -0.193618      2.207344
  C      -1.315610     -5.129741      5.700090
  C      -0.039782     -5.427375      6.233243
  C       0.263805     -5.052120      7.529568
  C      -0.685086     -4.367757      8.320810
  C      -1.948813     -4.098954      7.832285
  C      -2.302821     -4.514847      6.528955
  N      -3.527065     -4.309557      5.935725
  C      -4.623309     -3.992859      6.670661
  C      -4.953387     -4.619229      7.912324
  O      -4.432421     -5.536814      8.508204
  Cl     -6.499228     -3.860163      8.600095
  H      -2.455169     -3.088401     -0.679142
  H      -1.494343     -0.853197     -1.004552
  H      -1.186716      0.699501      0.925804
  H      -1.726730     -0.056209      3.221957
  H      -2.751612     -2.161840      5.853010
  H      -6.447623     -7.769076      5.907212
  H      -8.719549     -7.015913      6.506173
  H      -9.540942     -4.775888      5.801809
  H      -8.086354     -3.251339      4.526025
  H      -6.251135     -1.961843      4.233762
  H       0.714418     -5.908968      5.612464
  H       1.257724     -5.252814      7.931079
  H      -0.412584     -4.032274      9.321855
  H      -2.670376     -3.549396      8.434503
  H      -5.369397     -3.340105      6.229857
  N      -7.308312     -5.395409      1.350578
  H      -8.076146     -5.354959      0.670600
  H      -6.529101     -4.887062      0.919837
  H      -7.583414     -4.789438      2.130391
  N       0.994866     -4.017489      1.510140
  N       1.324950     -3.296235      0.745775
77
Coordinates from ORCA-job orca E -7409.258161437529
  N      -3.136651     -4.100848      1.802509
  C      -3.490986     -4.980633      0.695850
  C      -3.814260     -6.352102      1.262663
  N      -3.029135     -6.547508      2.511281
  C      -3.434672     -7.823109      3.191990
  C      -4.078617     -7.506963      4.540858
  N      -4.704756     -6.209531      4.386868
  Mo     -3.514249     -4.687914      3.757535
  N      -1.712586     -5.374703      4.419685
  C      -0.860753     -6.238896      3.599909
  C      -1.560031     -6.495442      2.277387
  H      -0.672630     -7.179488      4.147211
  H       0.117691     -5.770601      3.408031
  H      -1.216763     -7.434680      1.815119
  H      -1.352096     -5.675445      1.585064
  H      -4.808856     -8.285411      4.802472
  H      -3.324051     -7.465820      5.342989
  H      -4.154693     -8.336361      2.541022
  H      -2.556957     -8.472813      3.305476
  H      -2.646514     -5.043919     -0.011042
  H      -4.350894     -4.571908      0.142548
  H      -3.586804     -7.153180      0.538062
  H      -4.872085     -6.427077      1.545002
  C      -2.566223     -2.910848      1.497158
  C      -2.248558     -2.456775      0.190563
  C      -1.734547     -1.188572      0.011356
  C      -1.555121     -0.309584      1.106357
  C      -1.842302     -0.732638      2.385500
  C      -2.296194     -2.054699      2.606544
  N      -2.612488     -2.578439      3.835211
  C      -2.149530     -2.036698      4.962070
  C      -0.889467     -1.388175      5.234990
  O      -0.633582     -0.689463      6.186284
  Cl      0.503111     -1.920842      4.140029
  C      -5.952194     -5.930975      4.849725
  C      -6.800246     -6.779442      5.595068
  C      -8.071855     -6.343952      5.934159
  C      -8.528700     -5.072158      5.538712
  C      -7.704742     -4.215744      4.822742
  C      -6.399132     -4.623991      4.490849
  N      -5.481161     -3.902986      3.746628
  C      -5.780917     -2.586784      3.456692
  C      -5.616460     -2.057838      2.167922
  O      -5.371580     -2.580365      1.094018
  Cl     -5.915317     -0.207855      2.190515
  C      -1.312999     -5.135487      5.699294
  C      -0.038719     -5.435217      6.234238
  C       0.264042     -5.060928      7.531208
  C      -0.684050     -4.374806      8.321763
  C      -1.946607     -4.104343      7.831808
  C      -2.300469     -4.520332      6.528288
  N      -3.524882     -4.316295      5.935018
  C      -4.619971     -3.996101      6.669614
  C      -4.951647     -4.615809      7.913814
  O      -4.430937     -5.529923      8.515654
  Cl     -6.500052     -3.854878      8.592934
  H      -2.448865     -3.085188     -0.674578
  H      -1.510805     -0.840753     -0.998376
  H      -1.224397      0.714584      0.932843
  H      -1.759551     -0.047344      3.228380
  H      -2.749975     -2.164704      5.859825
  H      -6.455467     -7.760114      5.920390
  H      -8.724205     -6.994816      6.517614
  H      -9.537210     -4.753984      5.802639
  H      -8.068209     -3.234769      4.509294
  H      -6.241405     -1.963914      4.224081
  H       0.716460     -5.916902      5.614505
  H       1.257381     -5.263359      7.933078
  H      -0.412154     -4.038871      9.322962
  H      -2.667224     -3.553130      8.433454
  H      -5.366006     -3.346371      6.224295
  N      -7.307927     -5.390953      1.353289
  H      -8.066038     -5.364912      0.671856
  H      -6.522145     -4.889428      0.919398
  H      -7.592663     -4.772507      2.112310
  N       0.979438     -4.017421      1.503523
  N       1.315898     -3.296321      0.741525
77
Coordinates from ORCA-job orca E -7409.258251042474
  N      -3.140511     -4.102671      1.803497
  C      -3.498485     -4.984242      0.698409
  C      -3.816300     -6.357024      1.266495
  N      -3.030269     -6.547447      2.514111
  C      -3.431993     -7.822791      3.196687
  C      -4.083087     -7.506665      4.541239
  N      -4.709589     -6.209855      4.384151
  Mo     -3.517340     -4.688569      3.759019
  N      -1.714165     -5.373078      4.419620
  C      -0.860369     -6.233795      3.598491
  C      -1.561711     -6.494374      2.277332
  H      -0.666635     -7.172371      4.146564
  H       0.115126     -5.761348      3.404254
  H      -1.219197     -7.434624      1.816397
  H      -1.355591     -5.676336      1.582219
  H      -4.813770     -8.285769      4.799785
  H      -3.332174     -7.464430      5.346718
  H      -4.145368     -8.342107      2.544218
  H      -2.551527     -8.466742      3.316612
  H      -2.658676     -5.046076     -0.013164
  H      -4.362138     -4.576760      0.150316
  H      -3.584243     -7.157414      0.542849
  H      -4.874591     -6.436817      1.548222
  C      -2.565394     -2.914258      1.497194
  C      -2.246363     -2.460401      0.190433
  C      -1.725195     -1.194835      0.011797
  C      -1.540280     -0.317066      1.106694
  C      -1.830178     -0.738722      2.385576
  C      -2.290647     -2.058503      2.606483
  N      -2.610319     -2.579926      3.835086
  C      -2.151201     -2.038190      4.963101
  C      -0.893541     -1.386209      5.241177
  O      -0.646144     -0.682774      6.190482
  Cl      0.506594     -1.923165      4.158227
  C      -5.956821     -5.932736      4.845786
  C      -6.805246     -6.783726      5.587401
  C      -8.076652     -6.348521      5.927821
  C      -8.532494     -5.074542      5.537429
  C      -7.707930     -4.215297      4.825046
  C      -6.402688     -4.623998      4.490923
  N      -5.483579     -3.901150      3.749046
  C      -5.781050     -2.583426      3.463937
  C      -5.615362     -2.050349      2.176738
  O      -5.371224     -2.570941      1.101805
  Cl     -5.909866     -0.199767      2.204907
  C      -1.311465     -5.130071      5.698262
  C      -0.034152     -5.423247      6.230655
  C       0.269903     -5.046595      7.526877
  C      -0.680229     -4.365007      8.318852
  C      -1.945465     -4.100449      7.831051
  C      -2.299871     -4.517916      6.528173
  N      -3.525969     -4.317912      5.936027
  C      -4.621186     -4.000542      6.673087
  C      -4.950578     -4.626202      7.914891
  O      -4.430162     -5.543541      8.511088
  Cl     -6.495202     -3.865329      8.602969
  H      -2.451076     -3.086647     -0.675351
  H      -1.499804     -0.847795     -0.997887
  H      -1.203112      0.704976      0.933374
  H      -1.743639     -0.053715      3.228373
  H      -2.755596     -2.165469      5.858690
  H      -6.460724     -7.765993      5.909099
  H      -8.729484     -7.001127      6.508855
  H      -9.541205     -4.756368      5.802682
  H      -8.070677     -3.234879      4.515546
  H      -6.241567     -1.963247      4.233304
  H       0.721936     -5.901886      5.609848
  H       1.265415     -5.243749      7.926909
  H      -0.407862     -4.027961      9.319583
  H      -2.668055     -3.552654      8.433712
  H      -5.367347     -3.348968      6.231555
  N      -7.317113     -5.391146      1.338944
  H      -8.076095     -5.352572      0.655338
  H      -6.531739     -4.889877      0.912210
  H      -7.597596     -4.776822      2.107977
  N       0.989817     -4.020805      1.487530
  N       1.318170     -3.295158      0.724169
77
Coordinates from ORCA-job orca E -7409.258302355819
  N      -3.141022     -4.103244      1.803362
  C      -3.500270     -4.986134      0.699458
  C      -3.817698     -6.358772      1.268833
  N      -3.031394     -6.548538      2.515435
  C      -3.433311     -7.823237      3.198431
  C      -4.086055     -7.506067      4.541388
  N      -4.711530     -6.208940      4.383003
  Mo     -3.517866     -4.688211      3.758682
  N      -1.714061     -5.373013      4.418449
  C      -0.860744     -6.234875      3.597946
  C      -1.562958     -6.496526      2.277394
  H      -0.667528     -7.172919      4.147325
  H       0.114993     -5.763184      3.402821
  H      -1.221765     -7.437543      1.816988
  H      -1.357178     -5.679142      1.581508
  H      -4.817406     -8.284708      4.799491
  H      -3.336154     -7.463873      5.347888
  H      -4.145476     -8.343727      2.545309
  H      -2.552551     -8.466680      3.320289
  H      -2.661296     -5.049576     -0.012714
  H      -4.363927     -4.579534      0.151080
  H      -3.584949     -7.158548      0.544783
  H      -4.876232     -6.440040      1.552028
  C      -2.565534     -2.915090      1.496133
  C      -2.246065     -2.462222      0.189253
  C      -1.726084     -1.196028      0.010233
  C      -1.542871     -0.317030      1.104466
  C      -1.832275     -0.738231      2.383525
  C      -2.291079     -2.058274      2.604898
  N      -2.609729     -2.580089      3.833578
  C      -2.151906     -2.037446      4.961265
  C      -0.898338     -1.377668      5.239183
  O      -0.656588     -0.669963      6.186257
  Cl      0.506358     -1.911402      4.161355
  C      -5.958326     -5.931540      4.843473
  C      -6.807680     -6.783610      5.582335
  C      -8.078540     -6.347963      5.923375
  C      -8.532530     -5.072165      5.536779
  C      -7.706910     -4.211458      4.827223
  C      -6.402663     -4.621373      4.490934
  N      -5.482303     -3.898929      3.750087
  C      -5.777852     -2.580211      3.465341
  C      -5.614845     -2.048971      2.177468
  O      -5.371420     -2.570409      1.102422
  Cl     -5.912350     -0.198367      2.204701
  C      -1.310647     -5.129901      5.696922
  C      -0.033504     -5.423321      6.229145
  C       0.270161     -5.047811      7.525800
  C      -0.680059     -4.366951      8.318152
  C      -1.945084     -4.101607      7.830201
  C      -2.298902     -4.518089      6.527095
  N      -3.524957     -4.318221      5.934877
  C      -4.620188     -4.002725      6.673194
  C      -4.948369     -4.631434      7.913623
  O      -4.426241     -5.549363      8.507564
  Cl     -6.493389     -3.874271      8.604105
  H      -2.449526     -3.088978     -0.676726
  H      -1.500751     -0.849610     -0.999618
  H      -1.207210      0.705474      0.930441
  H      -1.747109     -0.052297      3.225794
  H      -2.754817     -2.168446      5.857001
  H      -6.464526     -7.767090      5.901626
  H      -8.732417     -7.001176      6.502420
  H      -9.540787     -4.753232      5.803595
  H      -8.068328     -3.231023      4.522177
  H      -6.235997     -1.959206      4.235587
  H       0.722905     -5.901811      5.608635
  H       1.265434     -5.245768      7.925721
  H      -0.408343     -4.031175      9.319366
  H      -2.667891     -3.554690      8.433476
  H      -5.366478     -3.350115      6.233304
  N      -7.305729     -5.393391      1.340450
  H      -8.072454     -5.343394      0.661567
  H      -6.525556     -4.884306      0.913497
  H      -7.581840     -4.786887      2.118929
  N       0.996409     -4.021894      1.492394
  N       1.322186     -3.290296      0.733750
77
Coordinates from ORCA-job orca E -7409.258370198112
  N      -3.139313     -4.104534      1.804839
  C      -3.498924     -4.988122      0.701423
  C      -3.817342     -6.360839      1.269588
  N      -3.032161     -6.550956      2.516354
  C      -3.435567     -7.824062      3.199649
  C      -4.091665     -7.505782      4.540362
  N      -4.715546     -6.208219      4.380632
  Mo     -3.518374     -4.688091      3.758778
  N      -1.713156     -5.374597      4.416956
  C      -0.860366     -6.237508      3.597672
  C      -1.563662     -6.500931      2.277899
  H      -0.666254     -7.174183      4.148967
  H       0.115289     -5.766249      3.400925
  H      -1.224407     -7.443304      1.818781
  H      -1.357165     -5.684669      1.580826
  H      -4.823680     -8.284171      4.797529
  H      -3.343307     -7.463816      5.348306
  H      -4.145398     -8.346167      2.545572
  H      -2.555253     -8.466786      3.326073
  H      -2.660050     -5.053091     -0.010327
  H      -4.361828     -4.581286      0.152627
  H      -3.582756     -7.158445      0.543873
  H      -4.876347     -6.446318      1.551813
  C      -2.564798     -2.915881      1.496916
  C      -2.245264     -2.463508      0.190037
  C      -1.727775     -1.196122      0.010925
  C      -1.547755     -0.315938      1.104578
  C      -1.836690     -0.737103      2.383851
  C      -2.291890     -2.058097      2.605471
  N      -2.608953     -2.582210      3.834052
  C      -2.154496     -2.037988      4.962083
  C      -0.907764     -1.364265      5.240941
  O      -0.677391     -0.648532      6.184631
  Cl      0.506882     -1.891553      4.172581
  C      -5.961165     -5.929478      4.841294
  C      -6.812204     -6.781801      5.577665
  C      -8.081793     -6.344030      5.920489
  C      -8.532631     -5.065757      5.538184
  C      -7.705361     -4.204818      4.831048
  C      -6.402327     -4.617188      4.491718
  N      -5.479921     -3.896001      3.752467
  C      -5.771488     -2.576156      3.465616
  C      -5.613665     -2.050987      2.175328
  O      -5.373551     -2.575992      1.100817
  Cl     -5.911042     -0.200173      2.196770
  C      -1.308558     -5.131130      5.695224
  C      -0.030806     -5.423574      6.226658
  C       0.273231     -5.048928      7.523691
  C      -0.677146     -4.369633      8.316975
  C      -1.942709     -4.104805      7.829489
  C      -2.296762     -4.520755      6.526382
  N      -3.523392     -4.322294      5.934636
  C      -4.617922     -4.006582      6.674928
  C      -4.945052     -4.636751      7.914778
  O      -4.422837     -5.555657      8.507296
  Cl     -6.488786     -3.878820      8.607968
  H      -2.446332     -3.090661     -0.676327
  H      -1.502471     -0.849922     -0.999008
  H      -1.214721      0.707331      0.929938
  H      -1.753877     -0.050097      3.225488
  H      -2.756643     -2.174003      5.858030
  H      -6.471656     -7.767242      5.893672
  H      -8.737326     -6.997234      6.497642
  H      -9.539885     -4.744963      5.807032
  H      -8.061872     -3.223614      4.528867
  H      -6.225662     -1.952649      4.236397
  H       0.726302     -5.900980      5.606186
  H       1.269080     -5.246547      7.922591
  H      -0.405742     -4.034563      9.318542
  H      -2.665543     -3.558972      8.433733
  H      -5.363852     -3.352750      6.236155
  N      -7.303293     -5.399610      1.335961
  H      -8.073453     -5.337839      0.661994
  H      -6.527666     -4.881422      0.911733
  H      -7.576678     -4.800894      2.122797
  N       1.008479     -4.023551      1.486169
  N       1.331911     -3.283661      0.735328
77
Coordinates from ORCA-job orca E -7409.258446750605
  N      -3.133059     -4.108375      1.808290
  C      -3.489905     -4.991926      0.703997
  C      -3.814308     -6.363458      1.270212
  N      -3.030277     -6.556446      2.518205
  C      -3.437480     -7.827750      3.201952
  C      -4.096268     -7.507498      4.541223
  N      -4.718664     -6.209466      4.380338
  Mo     -3.516815     -4.690502      3.759652
  N      -1.708936     -5.378613      4.416272
  C      -0.857482     -6.244410      3.599086
  C      -1.561781     -6.509732      2.280365
  H      -0.663535     -7.179866      4.152598
  H       0.118797     -5.774728      3.400529
  H      -1.224713     -7.453764      1.823113
  H      -1.353459     -5.695423      1.581667
  H      -4.829231     -8.285161      4.797969
  H      -3.348707     -7.466282      5.350085
  H      -4.146498     -8.349764      2.546881
  H      -2.558857     -8.472038      3.332487
  H      -2.647994     -5.060007     -0.004133
  H      -4.349423     -4.582878      0.150889
  H      -3.581600     -7.159872      0.542051
  H      -4.873583     -6.449206      1.550906
  C      -2.565017     -2.916722      1.499752
  C      -2.245990     -2.463760      0.193369
  C      -1.739924     -1.191656      0.014384
  C      -1.570576     -0.308884      1.107479
  C      -1.856699     -0.731902      2.386942
  C      -2.299933     -2.056605      2.608262
  N      -2.611107     -2.586051      3.836357
  C      -2.157099     -2.040542      4.963713
  C      -0.918015     -1.350946      5.238487
  O      -0.695856     -0.628905      6.179083
  Cl      0.501617     -1.866418      4.171808
  C      -5.963563     -5.927698      4.841590
  C      -6.818683     -6.776180      5.577550
  C      -8.086531     -6.332208      5.919952
  C      -8.531954     -5.051756      5.537639
  C      -7.700729     -4.195345      4.830453
  C      -6.399976     -4.613995      4.491663
  N      -5.474923     -3.896362      3.754712
  C      -5.762527     -2.575776      3.463038
  C      -5.609931     -2.057489      2.170507
  O      -5.372169     -2.585513      1.096800
  Cl     -5.909350     -0.206473      2.185718
  C      -1.304720     -5.135230      5.694612
  C      -0.027037     -5.427458      6.225924
  C       0.276665     -5.053908      7.523341
  C      -0.673793     -4.375438      8.317007
  C      -1.939155     -4.110513      7.829450
  C      -2.293125     -4.526033      6.526355
  N      -3.519989     -4.329151      5.934982
  C      -4.613961     -4.012421      6.676141
  C      -4.940148     -4.641491      7.916597
  O      -4.417502     -5.559779      8.509487
  Cl     -6.483757     -3.882654      8.610170
  H      -2.439140     -3.093427     -0.672987
  H      -1.515829     -0.844153     -0.995341
  H      -1.247708      0.717664      0.932269
  H      -1.780731     -0.043540      3.228171
  H      -2.753733     -2.183260      5.862159
  H      -6.483249     -7.763410      5.893121
  H      -8.745320     -6.982359      6.496740
  H      -9.537680     -4.726565      5.806418
  H      -8.046408     -3.209231      4.523777
  H      -6.214067     -1.949322      4.233373
  H       0.730579     -5.904374      5.605691
  H       1.272486     -5.251836      7.921691
  H      -0.403265     -4.041111      9.318989
  H      -2.661628     -3.565099      8.434395
  H      -5.360358     -3.359423      6.237106
  N      -7.293460     -5.394919      1.329409
  H      -8.065043     -5.323435      0.657189
  H      -6.519294     -4.872103      0.907233
  H      -7.568089     -4.800699      2.118767
  N       1.010150     -4.027102      1.471938
  N       1.331113     -3.278346      0.729452
77
Coordinates from ORCA-job orca E -7409.258515486288
  N      -3.128494     -4.110136      1.809734
  C      -3.484638     -4.993785      0.704748
  C      -3.812376     -6.364615      1.269700
  N      -3.029634     -6.559453      2.518262
  C      -3.440579     -7.829671      3.201522
  C      -4.098385     -7.508249      4.541058
  N      -4.719655     -6.209690      4.380016
  Mo     -3.514815     -4.691750      3.759623
  N      -1.705845     -5.382815      4.416462
  C      -0.856465     -6.250928      3.600214
  C      -1.561179     -6.515190      2.281869
  H      -0.663475     -7.186595      4.154029
  H       0.120947     -5.783091      3.400877
  H      -1.225203     -7.459681      1.824655
  H      -1.351111     -5.701126      1.583288
  H      -4.831849     -8.285382      4.798234
  H      -3.350491     -7.467784      5.349744
  H      -4.151882     -8.348684      2.546361
  H      -2.564514     -8.477625      3.331942
  H      -2.641627     -5.063513     -0.002095
  H      -4.342605     -4.583180      0.150560
  H      -3.579394     -7.159752      0.540287
  H      -4.872145     -6.451729      1.548416
  C      -2.566114     -2.916249      1.500698
  C      -2.249021     -2.462647      0.194415
  C      -1.752323     -1.187062      0.014871
  C      -1.589701     -0.302575      1.107560
  C      -1.871936     -0.727079      2.387530
  C      -2.305757     -2.054602      2.609220
  N      -2.610259     -2.587707      3.837721
  C      -2.157024     -2.041602      4.964623
  C      -0.924645     -1.338119      5.236866
  O      -0.709575     -0.613998      6.177877
  Cl      0.498535     -1.836186      4.168063
  C      -5.963303     -5.926061      4.842281
  C      -6.819926     -6.772247      5.579424
  C      -8.086649     -6.325432      5.921964
  C      -8.530194     -5.044701      5.538803
  C      -7.697965     -4.190686      4.830260
  C      -6.397643     -4.611585      4.491699
  N      -5.471592     -3.895524      3.754789
  C      -5.755808     -2.574665      3.459552
  C      -5.607066     -2.062599      2.164271
  O      -5.372931     -2.594658      1.091298
  Cl     -5.903282     -0.210641      2.171789
  C      -1.303109     -5.141990      5.695557
  C      -0.026370     -5.437207      6.227575
  C       0.277372     -5.065391      7.525578
  C      -0.672153     -4.385584      8.319101
  C      -1.936670     -4.118072      7.830920
  C      -2.291051     -4.532225      6.527378
  N      -3.517168     -4.333491      5.935489
  C      -4.610486     -4.011386      6.675456
  C      -4.939474     -4.635940      7.917561
  O      -4.421159     -5.555029      8.513261
  Cl     -6.480674     -3.867589      8.608970
  H      -2.437371     -3.094655     -0.671199
  H      -1.530408     -0.838345     -0.994906
  H      -1.274970      0.726324      0.931797
  H      -1.799702     -0.037971      3.228518
  H      -2.748854     -2.191592      5.865187
  H      -6.486446     -7.760006      5.895281
  H      -8.746306     -6.973845      6.499781
  H      -9.535083     -4.717667      5.808039
  H      -8.041693     -3.204718      4.523417
  H      -6.204507     -1.945222      4.229470
  H       0.730687     -5.914958      5.607268
  H       1.272675     -5.265576      7.924203
  H      -0.401945     -4.052148      9.321602
  H      -2.657688     -3.571229      8.436158
  H      -5.355394     -3.357920      6.234539
  N      -7.280441     -5.395191      1.324545
  H      -8.053832     -5.316994      0.657603
  H      -6.510969     -4.862371      0.904076
  H      -7.554238     -4.810182      2.119629
  N       1.012925     -4.028877      1.466539
  N       1.334182     -3.270383      0.734051
77
Coordinates from ORCA-job orca E -7409.258610336181
  N      -3.121679     -4.113658      1.811915
  C      -3.474431     -4.996723      0.704900
  C      -3.807099     -6.366149      1.268971
  N      -3.026685     -6.562783      2.519399
  C      -3.442027     -7.832460      3.202361
  C      -4.098326     -7.509860      4.542727
  N      -4.719022     -6.210821      4.381632
  Mo     -3.511059     -4.694572      3.760619
  N      -1.701365     -5.389523      4.419658
  C      -0.853705     -6.258770      3.603314
  C      -1.558378     -6.521322      2.285253
  H      -0.661234     -7.195195      4.156036
  H       0.124213     -5.791713      3.403785
  H      -1.223208     -7.466036      1.827755
  H      -1.345988     -5.707970      1.586479
  H      -4.832685     -8.286149      4.800025
  H      -3.350156     -7.470390      5.351201
  H      -4.156047     -8.347103      2.546765
  H      -2.568933     -8.484867      3.330826
  H      -2.628843     -5.067433      0.001142
  H      -4.329856     -4.584196      0.147815
  H      -3.574783     -7.161860      0.539776
  H      -4.867600     -6.451300      1.543417
  C      -2.568320     -2.916006      1.502296
  C      -2.254406     -2.460529      0.196096
  C      -1.771864     -1.179968      0.015634
  C      -1.618647     -0.293486      1.107904
  C      -1.894828     -0.720674      2.388551
  C      -2.315266     -2.052239      2.610555
  N      -2.609646     -2.589850      3.839773
  C      -2.155050     -2.043816      4.965520
  C      -0.929941     -1.325452      5.232282
  O      -0.720040     -0.601720      6.175030
  Cl      0.492439     -1.800825      4.155009
  C      -5.961969     -5.924894      4.845448
  C      -6.820592     -6.766750      5.585889
  C      -8.086363     -6.315966      5.926997
  C      -8.528508     -5.036035      5.539501
  C      -7.695010     -4.185934      4.827712
  C      -6.394420     -4.610356      4.492042
  N      -5.467447     -3.896592      3.753861
  C      -5.749167     -2.576278      3.454764
  C      -5.602442     -2.068859      2.157629
  O      -5.372220     -2.604667      1.086107
  Cl     -5.893697     -0.216451      2.158733
  C      -1.301174     -5.151916      5.699795
  C      -0.025652     -5.451124      6.233044
  C       0.277742     -5.081379      7.531564
  C      -0.670942     -4.399667      8.324540
  C      -1.934218     -4.128702      7.835436
  C      -2.288756     -4.540970      6.531179
  N      -3.513431     -4.338304      5.938224
  C      -4.606539     -4.009369      6.674877
  C      -4.939921     -4.627575      7.919233
  O      -4.428718     -5.548000      8.518541
  Cl     -6.477206     -3.845500      8.607492
  H      -2.436114     -3.096244     -0.667980
  H      -1.553479     -0.829003     -0.994206
  H      -1.315755      0.738814      0.931664
  H      -1.827671     -0.030921      3.229448
  H      -2.738688     -2.203041      5.869629
  H      -6.488901     -7.754263      5.904505
  H      -8.746694     -6.961367      6.507543
  H      -9.532840     -4.707015      5.807558
  H      -8.037724     -3.197846      4.517019
  H      -6.196307     -1.944101      4.223379
  H       0.730043     -5.930441      5.612220
  H       1.272029     -5.284420      7.931287
  H      -0.401079     -4.067466      9.327527
  H      -2.653770     -3.580085      8.440783
  H      -5.349440     -3.355481      6.231607
  N      -7.267604     -5.385981      1.312220
  H      -8.039181     -5.304764      0.646127
  H      -6.500250     -4.845678      0.896221
  H      -7.543362     -4.811036      2.112011
  N       1.010793     -4.032211      1.447834
  N       1.331200     -3.265224      0.724097
77
Coordinates from ORCA-job orca E -7409.258710641730
  N      -3.117263     -4.116980      1.812002
  C      -3.469143     -5.000857      0.705081
  C      -3.804876     -6.368686      1.271846
  N      -3.026107     -6.564615      2.521644
  C      -3.444350     -7.834283      3.204902
  C      -4.095451     -7.510250      4.546504
  N      -4.715667     -6.210932      4.384310
  Mo     -3.507293     -4.696969      3.760758
  N      -1.698917     -5.396097      4.424128
  C      -0.853673     -6.266792      3.607034
  C      -1.558039     -6.525979      2.288736
  H      -0.663869     -7.205035      4.157695
  H       0.125692     -5.801861      3.408498
  H      -1.223436     -7.470377      1.830012
  H      -1.343629     -5.712945      1.590116
  H      -4.830460     -8.285285      4.805512
  H      -3.345990     -7.470723      5.353630
  H      -4.163404     -8.343479      2.550712
  H      -2.574039     -8.491576      3.327600
  H      -2.623380     -5.071954      0.001186
  H      -4.323705     -4.586981      0.148535
  H      -3.572265     -7.167186      0.545593
  H      -4.866627     -6.449415      1.543662
  C      -2.572320     -2.915935      1.500881
  C      -2.262973     -2.458467      0.194158
  C      -1.793700     -1.173723      0.012005
  C      -1.647888     -0.285131      1.103545
  C      -1.916808     -0.714527      2.384926
  C      -2.324366     -2.049764      2.608190
  N      -2.607404     -2.589323      3.838912
  C      -2.149280     -2.043684      4.962632
  C      -0.928794     -1.315097      5.222599
  O      -0.718791     -0.596501      6.169582
  Cl      0.485787     -1.765664      4.130019
  C      -5.958128     -5.924270      4.847260
  C      -6.815505     -6.764943      5.590799
  C      -8.081374     -6.315047      5.929779
  C      -8.524620     -5.037775      5.537081
  C      -7.692089     -4.188566      4.822178
  C      -6.391980     -4.610845      4.490408
  N      -5.465721     -3.896947      3.750889
  C      -5.746962     -2.576725      3.453566
  C      -5.596581     -2.066388      2.156738
  O      -5.366385     -2.602536      1.085169
  Cl     -5.881967     -0.213379      2.158129
  C      -1.302072     -5.162826      5.705592
  C      -0.028828     -5.468704      6.240832
  C       0.274155     -5.101281      7.539862
  C      -0.672777     -4.415419      8.331540
  C      -1.933804     -4.138384      7.840813
  C      -2.288465     -4.548080      6.535519
  N      -3.510572     -4.338511      5.940458
  C      -4.604078     -4.002344      6.671710
  C      -4.944112     -4.613547      7.917912
  O      -4.441043     -5.534894      8.522118
  Cl     -6.478896     -3.818102      8.599345
  H      -2.440315     -3.097913     -0.667925
  H      -1.579726     -0.820923     -0.998116
  H      -1.356079      0.750046      0.926612
  H      -1.853280     -0.024108      3.225609
  H      -2.722993     -2.211785      5.870978
  H      -6.481359     -7.750501      5.912865
  H      -8.740392     -6.959288      6.513189
  H      -9.529393     -4.709362      5.803314
  H      -8.039983     -3.205834      4.512623
  H      -6.194950     -1.945221      4.222093
  H       0.724237     -5.951231      5.619283
  H       1.266476     -5.308971      7.941834
  H      -0.402742     -4.084896      9.335052
  H      -2.651352     -3.586480      8.445418
  H      -5.344458     -3.348309      6.224836
  N      -7.235710     -5.369085      1.302055
  H      -8.010345     -5.282547      0.640307
  H      -6.473932     -4.819759      0.889269
  H      -7.512889     -4.807107      2.110939
  N       1.002425     -4.037469      1.438682
  N       1.321078     -3.261150      0.723764
77
Coordinates from ORCA-job orca E -7409.258831299907
  N      -3.111107     -4.120938      1.811847
  C      -3.456763     -5.004192      0.702611
  C      -3.797835     -6.369663      1.271243
  N      -3.023503     -6.565681      2.524060
  C      -3.444392     -7.836005      3.207128
  C      -4.089898     -7.511473      4.551316
  N      -4.709849     -6.211583      4.389647
  Mo     -3.502116     -4.699973      3.762557
  N      -1.697238     -5.404182      4.431842
  C      -0.851972     -6.273261      3.612395
  C      -1.555226     -6.529529      2.292838
  H      -0.663659     -7.213270      4.160284
  H       0.127577     -5.808088      3.415726
  H      -1.221102     -7.473588      1.833034
  H      -1.338731     -5.716864      1.594592
  H      -4.825850     -8.285111      4.811710
  H      -3.338856     -7.472394      5.356604
  H      -4.167431     -8.339885      2.553778
  H      -2.575764     -8.496470      3.322359
  H      -2.607353     -5.074517      0.003376
  H      -4.308232     -4.589876      0.141198
  H      -3.566736     -7.173476      0.550115
  H      -4.861080     -6.441312      1.535245
  C      -2.574666     -2.915721      1.500690
  C      -2.269047     -2.455118      0.193419
  C      -1.812067     -1.166404      0.010189
  C      -1.674390     -0.276164      1.101538
  C      -1.937440     -0.708480      2.383085
  C      -2.332971     -2.047557      2.606891
  N      -2.606823     -2.588531      3.839088
  C      -2.144654     -2.042184      4.960659
  C      -0.925997     -1.307640      5.213378
  O      -0.712799     -0.593908      6.163597
  Cl      0.479605     -1.740349      4.105262
  C      -5.953686     -5.923910      4.852276
  C      -6.810080     -6.762159      5.600034
  C      -8.076665     -6.312147      5.937300
  C      -8.522293     -5.037363      5.538370
  C      -7.691085     -4.189214      4.819326
  C      -6.389177     -4.612445      4.490893
  N      -5.463409     -3.899548      3.747566
  C      -5.746466     -2.580830      3.452030
  C      -5.590211     -2.064957      2.157196
  O      -5.360929     -2.600580      1.085904
  Cl     -5.869033     -0.212847      2.161406
  C      -1.302750     -5.174007      5.714435
  C      -0.031315     -5.486012      6.252107
  C       0.271090     -5.120221      7.551484
  C      -0.674500     -4.430070      8.341584
  C      -1.933700     -4.147271      7.849036
  C      -2.288072     -4.555137      6.542816
  N      -3.507954     -4.337489      5.945590
  C      -4.602392     -3.996257      6.671126
  C      -4.948562     -4.601308      7.919212
  O      -4.452076     -5.522465      8.529028
  Cl     -6.482744     -3.796284      8.592141
  H      -2.440940     -3.097904     -0.667252
  H      -1.601591     -0.811664     -1.000101
  H      -1.392908      0.761846      0.924575
  H      -1.879445     -0.017649      3.223813
  H      -2.709725     -2.218079      5.873084
  H      -6.473288     -7.745296      5.927281
  H      -8.733849     -6.954751      6.524588
  H      -9.527941     -4.709669      5.802485
  H      -8.044197     -3.204303      4.504915
  H      -6.195913     -1.949596      4.219536
  H       0.719192     -5.972009      5.630075
  H       1.261492     -5.332215      7.956330
  H      -0.403745     -4.100678      9.345276
  H      -2.650159     -3.592413      8.452412
  H      -5.340439     -3.341693      6.220864
  N      -7.230208     -5.352009      1.282141
  H      -8.000396     -5.272473      0.614382
  H      -6.468014     -4.797606      0.877154
  H      -7.513948     -4.801671      2.095362
  N       0.996885     -4.041962      1.408682
  N       1.313602     -3.260776      0.697757
77
Coordinates from ORCA-job orca E -7409.258942432972
  N      -3.106990     -4.122415      1.810769
  C      -3.448215     -5.007017      0.701186
  C      -3.794122     -6.370038      1.271782
  N      -3.023317     -6.566621      2.525817
  C      -3.446935     -7.836508      3.207901
  C      -4.088272     -7.511214      4.553385
  N      -4.706207     -6.210344      4.392113
  Mo     -3.498713     -4.700674      3.762949
  N      -1.697585     -5.409277      4.435730
  C      -0.852326     -6.278780      3.616670
  C      -1.554257     -6.533492      2.295756
  H      -0.666894     -7.219251      4.164529
  H       0.128185     -5.815339      3.421840
  H      -1.221780     -7.478100      1.835974
  H      -1.335416     -5.720819      1.598368
  H      -4.825006     -8.283533      4.815542
  H      -3.335647     -7.472553      5.357167
  H      -4.173103     -8.337110      2.555149
  H      -2.579431     -8.499322      3.319288
  H      -2.595665     -5.078983      0.006329
  H      -4.296579     -4.593769      0.133972
  H      -3.564739     -7.177166      0.553911
  H      -4.858819     -6.435195      1.532059
  C      -2.575404     -2.914553      1.499542
  C      -2.271201     -2.452921      0.191884
  C      -1.822337     -1.161323      0.007951
  C      -1.691925     -0.269071      1.098669
  C      -1.952011     -0.702706      2.380219
  C      -2.338158     -2.044528      2.604755
  N      -2.606492     -2.587042      3.837786
  C      -2.142428     -2.039007      4.957669
  C      -0.927003     -1.297226      5.205564
  O      -0.714464     -0.583792      6.156246
  Cl      0.476458     -1.718543      4.090600
  C      -5.950266     -5.922009      4.853786
  C      -6.804982     -6.761059      5.602179
  C      -8.071704     -6.312214      5.941037
  C      -8.518194     -5.037751      5.542222
  C      -7.688443     -4.188790      4.822002
  C      -6.386367     -4.611190      4.491651
  N      -5.460653     -3.898974      3.746260
  C      -5.745211     -2.581075      3.450247
  C      -5.589210     -2.065477      2.155373
  O      -5.360856     -2.603689      1.085453
  Cl     -5.868882     -0.215109      2.158200
  C      -1.303757     -5.181410      5.719068
  C      -0.034417     -5.499140      6.258732
  C       0.267076     -5.136224      7.559093
  C      -0.677012     -4.442902      8.348208
  C      -1.934174     -4.153850      7.853570
  C      -2.287772     -4.559371      6.546537
  N      -3.505688     -4.335215      5.947385
  C      -4.600222     -3.990878      6.670704
  C      -4.951550     -4.594282      7.918234
  O      -4.459797     -5.516417      8.530045
  Cl     -6.484865     -3.785089      8.585952
  H      -2.437867     -3.097369     -0.668722
  H      -1.613467     -0.806281     -1.002571
  H      -1.417914      0.770884      0.921078
  H      -1.899937     -0.010937      3.220490
  H      -2.700696     -2.221853      5.872814
  H      -6.466354     -7.743402      5.929998
  H      -8.727743     -6.955053      6.529254
  H      -9.523986     -4.710385      5.807277
  H      -8.043487     -3.205427      4.508468
  H      -6.193288     -1.948203      4.217070
  H       0.715009     -5.987785      5.637476
  H       1.255605     -5.353206      7.965953
  H      -0.406378     -4.116035      9.352653
  H      -2.649809     -3.596916      8.456082
  H      -5.334424     -3.333385      6.218754
  N      -7.221188     -5.342919      1.273146
  H      -7.992800     -5.264083      0.605856
  H      -6.463042     -4.778877      0.873462
  H      -7.508828     -4.803490      2.093260
  N       0.999140     -4.045594      1.392060
  N       1.315283     -3.257816      0.688659
77
Coordinates from ORCA-job orca E -7409.259106974237
  N      -3.105083     -4.122823      1.808870
  C      -3.440725     -5.007963      0.699573
  C      -3.792161     -6.368920      1.269901
  N      -3.025519     -6.567195      2.526574
  C      -3.451398     -7.836845      3.206477
  C      -4.083054     -7.512060      4.556368
  N      -4.698510     -6.209871      4.398671
  Mo     -3.495357     -4.702080      3.763761
  N      -1.701543     -5.412873      4.439134
  C      -0.855542     -6.284759      3.622168
  C      -1.554342     -6.537183      2.298331
  H      -0.676861     -7.225538      4.171647
  H       0.127822     -5.826316      3.431334
  H      -1.224193     -7.482761      1.839183
  H      -1.332096     -5.723250      1.603684
  H      -4.818840     -8.283324      4.823914
  H      -3.324692     -7.473747      5.354679
  H      -4.184022     -8.333013      2.557480
  H      -2.585089     -8.502279      3.311289
  H      -2.584038     -5.080003      0.010000
  H      -4.285042     -4.596286      0.126465
  H      -3.564871     -7.179378      0.555953
  H      -4.858296     -6.423904      1.525377
  C      -2.576188     -2.912939      1.498690
  C      -2.273096     -2.451500      0.190438
  C      -1.828889     -1.157966      0.005709
  C      -1.704699     -0.263150      1.095458
  C      -1.963930     -0.696972      2.376635
  C      -2.341707     -2.041150      2.602515
  N      -2.608354     -2.583818      3.836030
  C      -2.140622     -2.032530      4.953538
  C      -0.921526     -1.293724      5.196016
  O      -0.702257     -0.581048      6.145693
  Cl      0.477104     -1.715593      4.072935
  C      -5.944864     -5.921812      4.856525
  C      -6.797569     -6.762806      5.603824
  C      -8.065636     -6.316027      5.943405
  C      -8.512262     -5.041117      5.544744
  C      -7.683228     -4.191843      4.824602
  C      -6.382465     -4.613140      4.492409
  N      -5.458008     -3.901641      3.747052
  C      -5.747924     -2.584216      3.453360
  C      -5.590398     -2.062314      2.160698
  O      -5.357772     -2.598098      1.089642
  Cl     -5.877628     -0.214739      2.169468
  C      -1.306551     -5.185617      5.723136
  C      -0.040192     -5.509555      6.265390
  C       0.260320     -5.148428      7.566898
  C      -0.681332     -4.450221      8.354283
  C      -1.935911     -4.153931      7.856551
  C      -2.288418     -4.558416      6.549195
  N      -3.504475     -4.328014      5.947831
  C      -4.599437     -3.983435      6.670328
  C      -4.955920     -4.586981      7.916111
  O      -4.464005     -5.506928      8.531422
  Cl     -6.494034     -3.784452      8.573538
  H      -2.435177     -3.095871     -0.671520
  H      -1.620693     -0.804394     -1.005313
  H      -1.435964      0.778004      0.916641
  H      -1.918905     -0.004216      3.216395
  H      -2.693761     -2.217924      5.871590
  H      -6.457150     -7.744083      5.932787
  H      -8.721518     -6.959391      6.530936
  H      -9.518365     -4.713239      5.809747
  H      -8.032908     -3.207136      4.507125
  H      -6.196499     -1.952547      4.221176
  H       0.709064     -6.001772      5.646897
  H       1.246649     -5.371140      7.976023
  H      -0.410461     -4.125603      9.359464
  H      -2.650980     -3.593648      8.456537
  H      -5.329183     -3.323425      6.214329
  N      -7.209946     -5.333736      1.264439
  H      -7.984206     -5.262509      0.597371
  H      -6.458315     -4.757610      0.870013
  H      -7.507278     -4.806000      2.091389
  N       0.997558     -4.049542      1.377025
  N       1.313453     -3.256205      0.679573
77
Coordinates from ORCA-job orca E -7409.259230577174
  N      -3.103862     -4.120720      1.806938
  C      -3.435386     -5.007734      0.697042
  C      -3.791469     -6.367159      1.267006
  N      -3.027753     -6.566589      2.525794
  C      -3.457196     -7.835730      3.202709
  C      -4.080440     -7.511482      4.556500
  N      -4.693573     -6.207938      4.403020
  Mo     -3.492884     -4.701272      3.764111
  N      -1.705035     -5.414818      4.440867
  C      -0.859610     -6.290192      3.626453
  C      -1.555299     -6.539542      2.300411
  H      -0.686767     -7.231353      4.177136
  H       0.126517     -5.836334      3.439195
  H      -1.227333     -7.485795      1.841384
  H      -1.329760     -5.724167      1.608591
  H      -4.815265     -8.282064      4.828258
  H      -3.316934     -7.474552      5.350140
  H      -4.196535     -8.325925      2.556644
  H      -2.593982     -8.506236      3.302615
  H      -2.575135     -5.081319      0.011646
  H      -4.277446     -4.597683      0.117862
  H      -3.566088     -7.179392      0.554691
  H      -4.859578     -6.415420      1.520839
  C      -2.575919     -2.910019      1.497886
  C      -2.272764     -2.448943      0.189718
  C      -1.831145     -1.154148      0.004889
  C      -1.710117     -0.258264      1.093945
  C      -1.969179     -0.692214      2.375082
  C      -2.342578     -2.037279      2.601480
  N      -2.608154     -2.580779      3.835123
  C      -2.137999     -2.028219      4.950946
  C      -0.918777     -1.287847      5.189589
  O      -0.698313     -0.572388      6.136614
  Cl      0.480231     -1.711968      4.065561
  C      -5.940056     -5.920916      4.859592
  C      -6.791098     -6.763738      5.606423
  C      -8.060540     -6.320314      5.945769
  C      -8.509634     -5.046713      5.546633
  C      -7.682182     -4.196200      4.827344
  C      -6.378984     -4.613436      4.494150
  N      -5.455022     -3.900920      3.748363
  C      -5.748035     -2.584284      3.453320
  C      -5.593743     -2.063942      2.160396
  O      -5.360284     -2.600915      1.089617
  Cl     -5.887487     -0.218127      2.166886
  C      -1.308722     -5.188568      5.725446
  C      -0.044985     -5.518396      6.269057
  C       0.255274     -5.159460      7.571627
  C      -0.683848     -4.457224      8.357980
  C      -1.936220     -4.154304      7.858078
  C      -2.288483     -4.557112      6.550406
  N      -3.502934     -4.321716      5.947329
  C      -4.597672     -3.974882      6.670055
  C      -4.957845     -4.578263      7.914549
  O      -4.467066     -5.498446      8.530976
  Cl     -6.496495     -3.776508      8.567842
  H      -2.432237     -3.092100     -0.673457
  H      -1.623475     -0.801298     -1.006522
  H      -1.444623      0.783660      0.914169
  H      -1.927654      0.000645      3.214858
  H      -2.686608     -2.215875      5.871120
  H      -6.449422     -7.744412      5.935453
  H      -8.715956     -6.965189      6.532110
  H      -9.516572     -4.721042      5.810428
  H      -8.035284     -3.216226      4.508137
  H      -6.195332     -1.951805      4.221330
  H       0.704107     -6.013947      5.652995
  H       1.239924     -5.387739      7.981762
  H      -0.413084     -4.135147      9.364005
  H      -2.650006     -3.590904      8.456631
  H      -5.322884     -3.311376      6.211487
  N      -7.204706     -5.333606      1.261887
  H      -7.983079     -5.267881      0.598903
  H      -6.461544     -4.741956      0.872855
  H      -7.504547     -4.818697      2.095277
  N       1.003263     -4.051152      1.370731
  N       1.321395     -3.252562      0.680843
77
Coordinates from ORCA-job orca E -7409.259368128489
  N      -3.102314     -4.119811      1.806739
  C      -3.428818     -5.006797      0.695250
  C      -3.789427     -6.365720      1.262131
  N      -3.029041     -6.567621      2.523650
  C      -3.463310     -7.836727      3.197062
  C      -4.077615     -7.513770      4.555925
  N      -4.690011     -6.209237      4.408160
  Mo     -3.491138     -4.703256      3.764989
  N      -1.707127     -5.417183      4.442022
  C      -0.863290     -6.297283      3.630428
  C      -1.555900     -6.542958      2.302475
  H      -0.695882     -7.238906      4.182090
  H       0.125613     -5.847880      3.446488
  H      -1.229241     -7.489362      1.842851
  H      -1.327300     -5.726018      1.613482
  H      -4.810921     -8.284179      4.831950
  H      -3.308211     -7.478924      5.344169
  H      -4.210800     -8.318524      2.553881
  H      -2.605022     -8.514803      3.291262
  H      -2.564971     -5.080888      0.014111
  H      -4.268278     -4.597004      0.111747
  H      -3.565234     -7.177837      0.549794
  H      -4.858082     -6.408328      1.513718
  C      -2.576850     -2.907907      1.498996
  C      -2.273668     -2.446122      0.191550
  C      -1.836076     -1.149669      0.007502
  C      -1.718836     -0.253492      1.096396
  C      -1.977545     -0.688424      2.377449
  C      -2.346121     -2.034559      2.603180
  N      -2.610050     -2.579932      3.836203
  C      -2.136849     -2.027613      4.950366
  C      -0.917129     -1.285935      5.184062
  O      -0.694174     -0.568010      6.128469
  Cl      0.480380     -1.713628      4.057855
  C      -5.937160     -5.922720      4.864169
  C      -6.789475     -6.764189      5.611273
  C      -8.059243     -6.319758      5.948471
  C      -8.507915     -5.046312      5.547388
  C      -7.679358     -4.197667      4.828166
  C      -6.375733     -4.615503      4.496724
  N      -5.452483     -3.903663      3.750438
  C      -5.747624     -2.587413      3.452515
  C      -5.597216     -2.068794      2.158981
  O      -5.362284     -2.605064      1.087937
  Cl     -5.897886     -0.223807      2.163868
  C      -1.309731     -5.190538      5.727047
  C      -0.047496     -5.523010      6.271146
  C       0.253057     -5.163883      7.574030
  C      -0.684475     -4.458947      8.359333
  C      -1.935822     -4.153207      7.858228
  C      -2.288310     -4.556087      6.550780
  N      -3.501708     -4.318441      5.946508
  C      -4.596211     -3.968443      6.669172
  C      -4.958756     -4.570602      7.913239
  O      -4.469617     -5.491480      8.529932
  Cl     -6.495570     -3.766091      8.565828
  H      -2.429555     -3.088386     -0.672775
  H      -1.628809     -0.796458     -1.003912
  H      -1.457055      0.789210      0.916361
  H      -1.938532      0.003602      3.218124
  H      -2.681355     -2.215302      5.872734
  H      -6.449632     -7.745043      5.941660
  H      -8.715923     -6.963541      6.534706
  H      -9.514791     -4.719606      5.810098
  H      -8.026142     -3.215077      4.504058
  H      -6.195604     -1.955344      4.220673
  H       0.701864     -6.020907      5.657329
  H       1.237153     -5.394663      7.984197
  H      -0.413988     -4.137419      9.365664
  H      -2.648595     -3.587332      8.455665
  H      -5.317753     -3.302724      6.208388
  N      -7.191704     -5.332138      1.258209
  H      -7.972448     -5.274033      0.598714
  H      -6.457897     -4.724834      0.874289
  H      -7.498263     -4.830420      2.097025
  N       1.001815     -4.054254      1.363540
  N       1.321558     -3.249880      0.681200
77
Coordinates from ORCA-job orca E -7409.259530680501
  N      -3.104051     -4.115981      1.806674
  C      -3.427678     -5.001851      0.693783
  C      -3.790673     -6.362893      1.254586
  N      -3.033225     -6.567377      2.517855
  C      -3.474468     -7.836511      3.186318
  C      -4.072707     -7.516521      4.553396
  N      -4.686539     -6.211840      4.415109
  Mo     -3.492050     -4.704643      3.765202
  N      -1.711554     -5.416080      4.441007
  C      -0.871782     -6.304772      3.633824
  C      -1.559984     -6.544490      2.303894
  H      -0.711760     -7.247346      4.186464
  H       0.121202     -5.861725      3.454105
  H      -1.233025     -7.490033      1.842579
  H      -1.327968     -5.725178      1.618715
  H      -4.802284     -8.287744      4.836711
  H      -3.293326     -7.484658      5.331990
  H      -4.236419     -8.302614      2.549302
  H      -2.626386     -8.528661      3.269819
  H      -2.562415     -5.075160      0.013482
  H      -4.266075     -4.590602      0.112325
  H      -3.565772     -7.172032      0.539690
  H      -4.859727     -6.402499      1.507191
  C      -2.578091     -2.904992      1.500291
  C      -2.273599     -2.442242      0.194537
  C      -1.833783     -1.146180      0.012864
  C      -1.714300     -0.251757      1.102388
  C      -1.974926     -0.687344      2.383192
  C      -2.346658     -2.032530      2.606583
  N      -2.612839     -2.578629      3.837991
  C      -2.134462     -2.030333      4.951121
  C      -0.907820     -1.297341      5.180536
  O      -0.676801     -0.575959      6.120184
  Cl      0.484959     -1.745329      4.055008
  C      -5.933086     -5.928657      4.870887
  C      -6.785334     -6.769377      5.619563
  C      -8.055623     -6.326335      5.952654
  C      -8.507100     -5.055485      5.547123
  C      -7.678960     -4.208196      4.826986
  C      -6.374428     -4.622017      4.500223
  N      -5.454313     -3.907915      3.753383
  C      -5.752393     -2.591514      3.453585
  C      -5.605621     -2.073665      2.159123
  O      -5.364922     -2.604698      1.085655
  Cl     -5.918703     -0.228042      2.163933
  C      -1.313025     -5.187078      5.726290
  C      -0.051620     -5.519721      6.269546
  C       0.250423     -5.157443      7.571719
  C      -0.685627     -4.449792      8.355530
  C      -1.936805     -4.144221      7.854222
  C      -2.290757     -4.549102      6.547737
  N      -3.503295     -4.312066      5.942445
  C      -4.597452     -3.956922      6.664710
  C      -4.960159     -4.555911      7.909742
  O      -4.471562     -5.477571      8.526185
  Cl     -6.493595     -3.745196      8.565213
  H      -2.429490     -3.082021     -0.671511
  H      -1.625404     -0.792122     -0.998048
  H      -1.449899      0.790115      0.923124
  H      -1.932206      0.002086      3.226271
  H      -2.679973     -2.208456      5.874818
  H      -6.445920     -7.749669      5.952169
  H      -8.712293     -6.969573      6.539797
  H      -9.514767     -4.730382      5.807569
  H      -8.023236     -3.229693      4.498961
  H      -6.206565     -1.964572      4.222675
  H       0.698194     -6.020302      5.658576
  H       1.235013     -5.388450      7.980342
  H      -0.415606     -4.126559      9.361546
  H      -2.647903     -3.575396      8.450726
  H      -5.316501     -3.290677      6.201074
  N      -7.164343     -5.332978      1.257977
  H      -7.949831     -5.285410      0.605136
  H      -6.446785     -4.703837      0.878696
  H      -7.480010     -4.846470      2.102886
  N       0.993490     -4.059780      1.367066
  N       1.315067     -3.249559      0.692494
77
Coordinates from ORCA-job orca E -7409.259676942643
  N      -3.101614     -4.115363      1.806578
  C      -3.420990     -5.000193      0.690520
  C      -3.787865     -6.361433      1.248897
  N      -3.033883     -6.568272      2.515124
  C      -3.481212     -7.836925      3.181648
  C      -4.068949     -7.517894      4.553990
  N      -4.684104     -6.213232      4.420555
  Mo     -3.490938     -4.705357      3.766136
  N      -1.711481     -5.418336      4.442610
  C      -0.874526     -6.311320      3.636789
  C      -1.560682     -6.547607      2.305680
  H      -0.718977     -7.254636      4.189339
  H       0.120322     -5.871425      3.459091
  H      -1.233108     -7.492346      1.843125
  H      -1.326055     -5.727972      1.621794
  H      -4.797273     -8.288966      4.841200
  H      -3.284363     -7.487642      5.327220
  H      -4.252127     -8.291592      2.547847
  H      -2.640052     -8.538297      3.255553
  H      -2.552659     -5.074131      0.013832
  H      -4.257858     -4.587950      0.104998
  H      -3.563751     -7.170290      0.532996
  H      -4.857017     -6.397968      1.499395
  C      -2.578506     -2.903077      1.501133
  C      -2.273240     -2.437983      0.196327
  C      -1.836202     -1.140770      0.016252
  C      -1.719205     -0.247292      1.106614
  C      -1.979792     -0.684869      2.387011
  C      -2.350179     -2.030880      2.608473
  N      -2.615115     -2.578408      3.839657
  C      -2.133768     -2.032112      4.952171
  C      -0.906193     -1.299306      5.177563
  O      -0.672977     -0.574705      6.113887
  Cl      0.483377     -1.754744      4.051361
  C      -5.930940     -5.930608      4.876937
  C      -6.784678     -6.768732      5.627540
  C      -8.055486     -6.324466      5.957649
  C      -8.509186     -5.055381      5.547688
  C      -7.680877     -4.209722      4.825606
  C      -6.373423     -4.624899      4.502921
  N      -5.453623     -3.910866      3.753878
  C      -5.752839     -2.595471      3.452042
  C      -5.608525     -2.079413      2.157339
  O      -5.368320     -2.608768      1.083529
  Cl     -5.926858     -0.233707      2.161053
  C      -1.313304     -5.188693      5.728056
  C      -0.052198     -5.522366      6.271385
  C       0.250634     -5.158579      7.572928
  C      -0.684675     -4.448807      8.355675
  C      -1.935676     -4.142624      7.854293
  C      -2.290591     -4.548435      6.548167
  N      -3.502653     -4.310073      5.942446
  C      -4.596547     -3.951790      6.663296
  C      -4.959667     -4.548795      7.909296
  O      -4.473435     -5.472144      8.525265
  Cl     -6.490015     -3.731649      8.566896
  H      -2.426603     -3.078020     -0.669871
  H      -1.627530     -0.784744     -0.994018
  H      -1.456653      0.795437      0.928610
  H      -1.937827      0.003569      3.231081
  H      -2.677947     -2.207756      5.877291
  H      -6.445620     -7.748136      5.963397
  H      -8.711962     -6.966416      6.546533
  H      -9.517717     -4.731426      5.805821
  H      -8.025953     -3.227701      4.492695
  H      -6.209746     -1.969974      4.220632
  H       0.696595     -6.025285      5.661086
  H       1.235132     -5.390234      7.981441
  H      -0.414594     -4.124353      9.361273
  H      -2.645772     -3.572388      8.450677
  H      -5.314900     -3.284607      6.199865
  N      -7.152425     -5.333062      1.252288
  H      -7.938908     -5.293737      0.600577
  H      -6.444982     -4.687255      0.880290
  H      -7.472680     -4.862632      2.102078
  N       0.990476     -4.063144      1.356831
  N       1.313549     -3.247331      0.689694
77
Coordinates from ORCA-job orca E -7409.259853039234
  N      -3.100104     -4.113917      1.806266
  C      -3.416202     -4.996857      0.687324
  C      -3.786827     -6.358769      1.243797
  N      -3.036771     -6.568453      2.511374
  C      -3.491723     -7.836075      3.176683
  C      -4.063336     -7.517877      4.555454
  N      -4.682342     -6.214590      4.426061
  Mo     -3.492422     -4.704648      3.766001
  N      -1.711587     -5.418743      4.443202
  C      -0.879379     -6.317755      3.639324
  C      -1.563677     -6.550542      2.307082
  H      -0.730947     -7.261868      4.192361
  H       0.118013     -5.882953      3.463287
  H      -1.233794     -7.493842      1.842927
  H      -1.325767     -5.731388      1.623540
  H      -4.789293     -8.289101      4.848978
  H      -3.271951     -7.487203      5.321364
  H      -4.275700     -8.274679      2.547719
  H      -2.659598     -8.549777      3.233869
  H      -2.545920     -5.071501      0.013460
  H      -4.251351     -4.582229      0.099749
  H      -3.563396     -7.167010      0.526460
  H      -4.855817     -6.392749      1.494247
  C      -2.578844     -2.900697      1.501307
  C      -2.271139     -2.432308      0.197624
  C      -1.832224     -1.135662      0.020355
  C      -1.714469     -0.244682      1.112707
  C      -1.977616     -0.684338      2.391879
  C      -2.353009     -2.030028      2.609821
  N      -2.620139     -2.577185      3.840563
  C      -2.134121     -2.035003      4.953043
  C      -0.900812     -1.311902      5.174378
  O      -0.658794     -0.585712      6.107390
  Cl      0.480498     -1.787675      4.046963
  C      -5.928786     -5.933641      4.882914
  C      -6.780486     -6.771182      5.637000
  C      -8.052191     -6.329177      5.965375
  C      -8.511806     -5.064091      5.549659
  C      -7.686338     -4.217800      4.823381
  C      -6.376283     -4.630233      4.505247
  N      -5.458393     -3.914691      3.752418
  C      -5.759799     -2.600475      3.450391
  C      -5.613618     -2.083468      2.156670
  O      -5.370178     -2.608752      1.082776
  Cl     -5.938241     -0.237333      2.164084
  C      -1.314873     -5.187049      5.728268
  C      -0.052905     -5.519346      6.271472
  C       0.251047     -5.151820      7.571231
  C      -0.684686     -4.440641      8.352590
  C      -1.936405     -4.136738      7.852053
  C      -2.292474     -4.544915      6.546640
  N      -3.504502     -4.306855      5.941032
  C      -4.597907     -3.945209      6.659462
  C      -4.960619     -4.539978      7.907012
  O      -4.478453     -5.465902      8.521847
  Cl     -6.486173     -3.713024      8.568632
  H      -2.424100     -3.072904     -0.668215
  H      -1.621107     -0.776900     -0.988481
  H      -1.448390      0.797723      0.937742
  H      -1.933873      0.002633      3.237035
  H      -2.681108     -2.200818      5.878349
  H      -6.436945     -7.747668      5.977111
  H      -8.705337     -6.971128      6.558041
  H      -9.522384     -4.744654      5.805480
  H      -8.041254     -3.238773      4.488496
  H      -6.224006     -1.979065      4.217639
  H       0.693997     -6.024322      5.660603
  H       1.236068     -5.381435      7.979521
  H      -0.414404     -4.112808      9.356921
  H      -2.646091     -3.566386      8.448958
  H      -5.317251     -3.277615      6.198464
  N      -7.126574     -5.328037      1.248601
  H      -7.914795     -5.298793      0.597455
  H      -6.433615     -4.662824      0.884094
  H      -7.455399     -4.875091      2.104441
  N       0.979114     -4.070707      1.349142
  N       1.302168     -3.248869      0.689411
77
Coordinates from ORCA-job orca E -7409.260011991116
  N      -3.099663     -4.112845      1.806644
  C      -3.415294     -4.993999      0.686507
  C      -3.789278     -6.356402      1.240610
  N      -3.042357     -6.568540      2.509474
  C      -3.502382     -7.834379      3.174661
  C      -4.059049     -7.516258      4.558466
  N      -4.680701     -6.214054      4.431223
  Mo     -3.494915     -4.702686      3.766395
  N      -1.713006     -5.417599      4.442635
  C      -0.884835     -6.322172      3.641117
  C      -1.568784     -6.553836      2.307823
  H      -0.744151     -7.266065      4.196405
  H       0.115366     -5.894024      3.465612
  H      -1.238623     -7.497151      1.843676
  H      -1.327791     -5.735578      1.624052
  H      -4.781848     -8.287816      4.859042
  H      -3.261439     -7.483024      5.317422
  H      -4.296920     -8.261774      2.551452
  H      -2.676203     -8.555868      3.217434
  H      -2.544324     -5.068509      0.014098
  H      -4.248415     -4.576167      0.099723
  H      -3.565006     -7.163810      0.522635
  H      -4.858830     -6.388940      1.489584
  C      -2.577709     -2.899310      1.502100
  C      -2.267449     -2.430017      0.198525
  C      -1.823464     -1.135144      0.022788
  C      -1.703331     -0.245520      1.116427
  C      -1.970534     -0.685146      2.394392
  C      -2.352239     -2.029743      2.610554
  N      -2.624747     -2.574434      3.841129
  C      -2.136164     -2.033384      4.953664
  C      -0.895372     -1.322999      5.173421
  O      -0.644518     -0.596186      6.103746
  Cl      0.479074     -1.818697      4.045383
  C      -5.927799     -5.935277      4.886290
  C      -6.775880     -6.775582      5.641233
  C      -8.049966     -6.339220      5.968067
  C      -8.515257     -5.077618      5.548378
  C      -7.693088     -4.228009      4.821178
  C      -6.380280     -4.634813      4.506242
  N      -5.463468     -3.917024      3.752663
  C      -5.768678     -2.603268      3.453496
  C      -5.617218     -2.079866      2.162249
  O      -5.368741     -2.599982      1.086799
  Cl     -5.945369     -0.233954      2.178143
  C      -1.315914     -5.182958      5.726818
  C      -0.052982     -5.513574      6.269893
  C       0.252379     -5.142267      7.567972
  C      -0.683353     -4.429791      8.348585
  C      -1.936010     -4.128165      7.849068
  C      -2.293065     -4.539142      6.544658
  N      -3.506170     -4.302777      5.940120
  C      -4.598989     -3.940938      6.658386
  C      -4.960100     -4.534796      7.907099
  O      -4.477395     -5.459558      8.523373
  Cl     -6.486853     -3.707673      8.567651
  H      -2.421571     -3.070762     -0.667235
  H      -1.609242     -0.776004     -0.985169
  H      -1.431425      0.795618      0.943424
  H      -1.925868      0.001618      3.239509
  H      -2.687963     -2.189604      5.878225
  H      -6.426182     -7.748975      5.984027
  H      -8.699936     -6.983324      6.561803
  H      -9.528447     -4.763589      5.801056
  H      -8.058817     -3.254245      4.484041
  H      -6.239286     -1.986372      4.220117
  H       0.692336     -6.019856      5.658182
  H       1.237983     -5.369550      7.976105
  H      -0.411839     -4.098827      9.351523
  H      -2.645858     -3.557836      8.445906
  H      -5.320520     -3.274297      6.198656
  N      -7.105129     -5.324049      1.241876
  H      -7.895542     -5.300830      0.591910
  H      -6.426538     -4.640301      0.885205
  H      -7.439170     -4.889230      2.105635
  N       0.969413     -4.079067      1.338249
  N       1.292787     -3.250673      0.687300
77
Coordinates from ORCA-job orca E -7409.260174587505
  N      -3.101096     -4.110643      1.806691
  C      -3.415773     -4.991362      0.686329
  C      -3.792890     -6.352893      1.239228
  N      -3.048826     -6.567713      2.508177
  C      -3.512334     -7.831668      3.173553
  C      -4.055946     -7.513066      4.561172
  N      -4.680902     -6.212350      4.433907
  Mo     -3.499953     -4.698969      3.765545
  N      -1.714764     -5.413823      4.439086
  C      -0.890174     -6.323953      3.640991
  C      -1.574541     -6.556181      2.307622
  H      -0.757914     -7.266873      4.199692
  H       0.112752     -5.903793      3.464810
  H      -1.245144     -7.500306      1.844485
  H      -1.330621     -5.739023      1.623576
  H      -4.774536     -8.285566      4.869376
  H      -3.252769     -7.474762      5.314075
  H      -4.316039     -8.251117      2.555704
  H      -2.689617     -8.558548      3.203236
  H      -2.543342     -5.066705      0.016452
  H      -4.246241     -4.571667      0.097257
  H      -3.567438     -7.159339      0.520605
  H      -4.862711     -6.384982      1.487120
  C      -2.576349     -2.897761      1.502675
  C      -2.262239     -2.430091      0.198921
  C      -1.809110     -1.138384      0.024042
  C      -1.683892     -0.249812      1.118731
  C      -1.957784     -0.687372      2.395569
  C      -2.350216     -2.029445      2.610664
  N      -2.631988     -2.570677      3.840641
  C      -2.142758     -2.030353      4.954371
  C      -0.893542     -1.338131      5.176438
  O      -0.633081     -0.612958      6.105223
  Cl      0.476361     -1.859367      4.051325
  C      -5.929067     -5.935552      4.887575
  C      -6.771887     -6.779769      5.643616
  C      -8.048193     -6.349719      5.970975
  C      -8.517904     -5.090998      5.548331
  C      -7.699698     -4.237894      4.819928
  C      -6.386467     -4.638096      4.506213
  N      -5.471017     -3.918513      3.753003
  C      -5.780780     -2.605594      3.456879
  C      -5.620937     -2.074449      2.169880
  O      -5.365281     -2.589601      1.094014
  Cl     -5.951986     -0.229684      2.195365
  C      -1.316826     -5.175033      5.721729
  C      -0.052468     -5.502280      6.264705
  C       0.253799     -5.127261      7.561022
  C      -0.682653     -4.415058      8.341493
  C      -1.936675     -4.117240      7.843291
  C      -2.293990     -4.531422      6.540122
  N      -3.509369     -4.299658      5.937702
  C      -4.601744     -3.941590      6.658147
  C      -4.959109     -4.537483      7.907174
  O      -4.472615     -5.459720      8.523991
  Cl     -6.490395     -3.717903      8.566990
  H      -2.419599     -3.070762     -0.666471
  H      -1.590655     -0.780362     -0.983269
  H      -1.402280      0.789088      0.947185
  H      -1.911290      0.000123      3.239754
  H      -2.702526     -2.175615      5.875962
  H      -6.415171     -7.749900      5.988161
  H      -8.694714     -6.995957      6.566006
  H      -9.533077     -4.781165      5.799358
  H      -8.073570     -3.269714      4.480051
  H      -6.257570     -1.992275      4.222195
  H       0.691963     -6.008306      5.651633
  H       1.240239     -5.350936      7.968966
  H      -0.409868     -4.081095      9.342941
  H      -2.647612     -3.548160      8.440053
  H      -5.327281     -3.277159      6.200995
  N      -7.081827     -5.319918      1.240093
  H      -7.875313     -5.303456      0.592769
  H      -6.419812     -4.617237      0.891936
  H      -7.422138     -4.903149      2.112395
  N       0.959540     -4.086938      1.329571
  N       1.283327     -3.251422      0.687803
77
Coordinates from ORCA-job orca E -7409.260303653446
  N      -3.103069     -4.109200      1.808398
  C      -3.418382     -4.989251      0.687549
  C      -3.798082     -6.350447      1.237318
  N      -3.055077     -6.567180      2.507642
  C      -3.519888     -7.830195      3.172285
  C      -4.057327     -7.511524      4.562000
  N      -4.683195     -6.211002      4.435485
  Mo     -3.505086     -4.696515      3.766391
  N      -1.717093     -5.409602      4.435237
  C      -0.894882     -6.324006      3.639861
  C      -1.580417     -6.557554      2.306732
  H      -0.767731     -7.265774      4.201674
  H       0.110065     -5.909520      3.462649
  H      -1.253518     -7.503102      1.844744
  H      -1.334964     -5.740865      1.622540
  H      -4.772996     -8.284822      4.874522
  H      -3.251014     -7.470501      5.311523
  H      -4.327725     -8.246729      2.557707
  H      -2.698628     -8.559089      3.197186
  H      -2.545021     -5.064331      0.018869
  H      -4.246767     -4.567353      0.098493
  H      -3.570405     -7.155320      0.517601
  H      -4.869155     -6.383184      1.482416
  C      -2.572962     -2.898156      1.505578
  C      -2.254886     -2.433064      0.201734
  C      -1.792121     -1.144704      0.027300
  C      -1.661203     -0.256986      1.122211
  C      -1.941890     -0.691590      2.398419
  C      -2.344774     -2.030543      2.613519
  N      -2.637009     -2.567799      3.842467
  C      -2.150213     -2.026741      4.957517
  C      -0.894745     -1.348539      5.184414
  O      -0.629016     -0.624314      6.112223
  Cl      0.475240     -1.889207      4.065140
  C      -5.932824     -5.936696      4.887649
  C      -6.773717     -6.783985      5.642210
  C      -8.052399     -6.358198      5.968299
  C      -8.524400     -5.100621      5.544642
  C      -7.707795     -4.244737      4.818237
  C      -6.392039     -4.640657      4.505845
  N      -5.476047     -3.918586      3.755657
  C      -5.790433     -2.606301      3.461592
  C      -5.624378     -2.067944      2.177608
  O      -5.363743     -2.579297      1.100318
  Cl     -5.955333     -0.224495      2.209723
  C      -1.315736     -5.165381      5.715954
  C      -0.049293     -5.487470      6.257373
  C       0.259213     -5.106920      7.551671
  C      -0.677239     -4.395088      8.332642
  C      -1.933657     -4.103161      7.836729
  C      -2.292393     -4.522553      6.535730
  N      -3.511227     -4.298255      5.936624
  C      -4.602971     -3.946482      6.661887
  C      -4.953031     -4.545717      7.911150
  O      -4.457630     -5.463488      8.527617
  Cl     -6.490006     -3.740004      8.573069
  H      -2.415927     -3.072115     -0.664104
  H      -1.570015     -0.788720     -0.979914
  H      -1.370336      0.779357      0.950933
  H      -1.892890     -0.003707      3.242006
  H      -2.717609     -2.163991      5.875660
  H      -6.414185     -7.753088      5.986669
  H      -8.698178     -7.006433      6.561822
  H      -9.541026     -4.793211      5.793328
  H      -8.084543     -3.277615      4.474342
  H      -6.271075     -1.995549      4.226353
  H       0.695209     -5.992541      5.643547
  H       1.247496     -5.325552      7.958138
  H      -0.402035     -4.057028      9.332218
  H      -2.645540     -3.534486      8.432771
  H      -5.333442     -3.285902      6.206576
  N      -7.073882     -5.321963      1.235480
  H      -7.870553     -5.308522      0.592247
  H      -6.425496     -4.602664      0.894921
  H      -7.412620     -4.923682      2.116079
  N       0.955981     -4.094019      1.319520
  N       1.281768     -3.252304      0.687361
77
Coordinates from ORCA-job orca E -7409.260412831680
  N      -3.110245     -4.105586      1.811128
  C      -3.427173     -4.985509      0.691684
  C      -3.807237     -6.345076      1.239548
  N      -3.063093     -6.563599      2.507457
  C      -3.524597     -7.827264      3.170964
  C      -4.063511     -7.508464      4.559253
  N      -4.691981     -6.209218      4.429671
  Mo     -3.517910     -4.691299      3.764548
  N      -1.720764     -5.398288      4.424840
  C      -0.899782     -6.315179      3.632706
  C      -1.588311     -6.553282      2.302859
  H      -0.774754     -7.255096      4.198156
  H       0.105783     -5.904661      3.451681
  H      -1.264452     -7.500740      1.842853
  H      -1.343680     -5.737406      1.617728
  H      -4.775737     -8.283643      4.874302
  H      -3.257400     -7.462213      5.309047
  H      -4.331112     -8.247863      2.556935
  H      -2.700277     -8.553026      3.196902
  H      -2.553093     -5.060508      0.023679
  H      -4.252636     -4.562678      0.101812
  H      -3.575599     -7.147535      0.518021
  H      -4.880126     -6.382971      1.481545
  C      -2.567518     -2.900379      1.509820
  C      -2.241866     -2.442016      0.206057
  C      -1.757333     -1.161573      0.031688
  C      -1.611620     -0.276053      1.126963
  C      -1.905290     -0.703643      2.402636
  C      -2.333526     -2.034876      2.618168
  N      -2.647415     -2.564355      3.844101
  C      -2.168504     -2.023414      4.964242
  C      -0.901281     -1.376812      5.207890
  O      -0.626493     -0.660723      6.138687
  Cl      0.470676     -1.950898      4.101623
  C      -5.942362     -5.938696      4.882123
  C      -6.777708     -6.790223      5.637460
  C      -8.056988     -6.369002      5.967511
  C      -8.530055     -5.111776      5.545880
  C      -7.717314     -4.253289      4.818620
  C      -6.404588     -4.643238      4.502247
  N      -5.490400     -3.916979      3.756630
  C      -5.810070     -2.606421      3.465674
  C      -5.627162     -2.057900      2.187444
  O      -5.356212     -2.566040      1.110582
  Cl     -5.950618     -0.215982      2.225479
  C      -1.315269     -5.144252      5.701714
  C      -0.044212     -5.453709      6.240169
  C       0.266760     -5.063363      7.530689
  C      -0.671528     -4.354987      8.313045
  C      -1.932792     -4.077350      7.821768
  C      -2.293125     -4.506931      6.524790
  N      -3.518811     -4.300605      5.932574
  C      -4.610139     -3.964743      6.666910
  C      -4.942745     -4.570555      7.917500
  O      -4.427142     -5.478292      8.532110
  Cl     -6.491795     -3.795859      8.586158
  H      -2.412922     -3.078270     -0.659762
  H      -1.528501     -0.809930     -0.975528
  H      -1.300011      0.754505      0.955829
  H      -1.847121     -0.015317      3.245235
  H      -2.754770     -2.144896      5.872295
  H      -6.414083     -7.758566      5.979516
  H      -8.700390     -7.018662      6.561844
  H      -9.546150     -4.804370      5.797053
  H      -8.094348     -3.290932      4.475549
  H      -6.297379     -1.997568      4.227650
  H       0.701712     -5.954442      5.624400
  H       1.258666     -5.270558      7.934387
  H      -0.392863     -4.008980      9.309034
  H      -2.647329     -3.511119      8.416869
  H      -5.353762     -3.315991      6.215662
  N      -7.068607     -5.323718      1.237655
  H      -7.868776     -5.314592      0.599317
  H      -6.435689     -4.589820      0.902745
  H      -7.410670     -4.941511      2.125996
  N       0.949495     -4.102733      1.315202
  N       1.275716     -3.254972      0.690303
77
Coordinates from ORCA-job orca E -7409.260505228612
  N      -3.111225     -4.104723      1.810918
  C      -3.425930     -4.986404      0.689506
  C      -3.807775     -6.344795      1.238416
  N      -3.063985     -6.563453      2.507839
  C      -3.526553     -7.827869      3.169110
  C      -4.063375     -7.509417      4.559422
  N      -4.692083     -6.209859      4.431511
  Mo     -3.518710     -4.692011      3.765461
  N      -1.721168     -5.397908      4.424781
  C      -0.900964     -6.316273      3.633229
  C      -1.589520     -6.553309      2.303405
  H      -0.775549     -7.256119      4.198889
  H       0.105007     -5.906145      3.452301
  H      -1.266942     -7.500680      1.842574
  H      -1.345448     -5.736331      1.619649
  H      -4.774850     -8.284794      4.875596
  H      -3.255653     -7.464030      5.307770
  H      -4.335630     -8.245350      2.556011
  H      -2.704623     -8.556694      3.194848
  H      -2.550099     -5.062577      0.023625
  H      -4.252163     -4.565118      0.094318
  H      -3.576449     -7.147978      0.517889
  H      -4.880622     -6.379611      1.478312
  C      -2.567464     -2.900014      1.510711
  C      -2.240482     -2.441987      0.207655
  C      -1.755912     -1.161397      0.033739
  C      -1.610898     -0.275896      1.128936
  C      -1.905342     -0.703286      2.404748
  C      -2.334177     -2.034284      2.620361
  N      -2.648786     -2.563883      3.845899
  C      -2.169996     -2.022999      4.965805
  C      -0.902083     -1.378524      5.209854
  O      -0.625244     -0.664427      6.141439
  Cl      0.469201     -1.953680      4.102993
  C      -5.943561     -5.940724      4.884716
  C      -6.780760     -6.790589      5.640547
  C      -8.061246     -6.369304      5.967889
  C      -8.536357     -5.113352      5.543758
  C      -7.723107     -4.255896      4.816791
  C      -6.405801     -4.645296      4.502877
  N      -5.490738     -3.917633      3.757184
  C      -5.813739     -2.608668      3.464138
  C      -5.630233     -2.059777      2.186952
  O      -5.356597     -2.568022      1.111389
  Cl     -5.958869     -0.219540      2.221663
  C      -1.314573     -5.143041      5.701073
  C      -0.043787     -5.452986      6.238836
  C       0.267952     -5.061935      7.528916
  C      -0.668985     -4.351931      8.311176
  C      -1.930196     -4.074035      7.820366
  C      -2.291809     -4.505070      6.524362
  N      -3.518072     -4.300243      5.933275
  C      -4.608960     -3.964582      6.668761
  C      -4.938817     -4.568308      7.920928
  O      -4.420383     -5.474174      8.535906
  Cl     -6.487603     -3.795156      8.591559
  H      -2.410555     -3.077438     -0.658929
  H      -1.526886     -0.809886     -0.973504
  H      -1.299494      0.754685      0.957554
  H      -1.846571     -0.015675      3.248177
  H      -2.755910     -2.144267      5.873602
  H      -6.418959     -7.759080      5.983981
  H      -8.705196     -7.018653      6.562100
  H      -9.552942     -4.806433      5.792855
  H      -8.098528     -3.288865      4.469214
  H      -6.304355     -2.000587      4.225099
  H       0.702291     -5.954758      5.624118
  H       1.259858     -5.270065      7.931898
  H      -0.389602     -4.005374      9.306615
  H      -2.643738     -3.506087      8.415004
  H      -5.353522     -3.318429      6.215967
  N      -7.053924     -5.317635      1.233958
  H      -7.857327     -5.311993      0.600410
  H      -6.431357     -4.569808      0.907963
  H      -7.389383     -4.953963      2.129901
  N       0.944203     -4.107662      1.303116
  N       1.273718     -3.254416      0.687848
77
Coordinates from ORCA-job orca E -7409.260580730747
  N      -3.112698     -4.107217      1.813236
  C      -3.429305     -4.988024      0.691754
  C      -3.811800     -6.346687      1.241081
  N      -3.064942     -6.564360      2.509545
  C      -3.524474     -7.830263      3.170521
  C      -4.069141     -7.511466      4.558262
  N      -4.697414     -6.211922      4.428450
  Mo     -3.522041     -4.694428      3.766462
  N      -1.721098     -5.396177      4.423767
  C      -0.900195     -6.312342      3.630761
  C      -1.591244     -6.552388      2.302214
  H      -0.768050     -7.251254      4.196383
  H       0.103447     -5.897119      3.447564
  H      -1.268660     -7.499741      1.841524
  H      -1.350272     -5.736184      1.616447
  H      -4.782764     -8.286426      4.870683
  H      -3.264895     -7.467592      5.310343
  H      -4.327973     -8.252642      2.554060
  H      -2.700407     -8.555807      3.204045
  H      -2.554838     -5.063933      0.024097
  H      -4.255840     -4.564865      0.100066
  H      -3.581461     -7.150780      0.520845
  H      -4.885404     -6.380181      1.480293
  C      -2.564228     -2.904632      1.513089
  C      -2.233430     -2.446671      0.210719
  C      -1.745607     -1.167351      0.037773
  C      -1.600924     -0.282360      1.132827
  C      -1.898786     -0.708890      2.408204
  C      -2.331097     -2.038753      2.623625
  N      -2.649840     -2.566335      3.848370
  C      -2.175341     -2.024598      4.969206
  C      -0.907963     -1.380452      5.217724
  O      -0.633681     -0.667205      6.151050
  Cl      0.465652     -1.954978      4.114942
  C      -5.948423     -5.943659      4.881966
  C      -6.787394     -6.792972      5.636535
  C      -8.067290     -6.370871      5.963290
  C      -8.542615     -5.114562      5.541002
  C      -7.728355     -4.257003      4.815239
  C      -6.409897     -4.646826      4.501652
  N      -5.493864     -3.916717      3.757611
  C      -5.815991     -2.607316      3.466387
  C      -5.628153     -2.055792      2.189922
  O      -5.352241     -2.563235      1.114057
  Cl     -5.952693     -0.215558      2.224264
  C      -1.312385     -5.137906      5.698531
  C      -0.039124     -5.442093      6.233592
  C       0.274502     -5.046243      7.521808
  C      -0.662942     -4.337345      8.304620
  C      -1.926583     -4.066011      7.816581
  C      -2.290321     -4.501851      6.522606
  N      -3.519021     -4.304134      5.934522
  C      -4.609855     -3.972453      6.671908
  C      -4.932565     -4.575665      7.925998
  O      -4.407666     -5.478434      8.539667
  Cl     -6.481741     -3.808129      8.602492
  H      -2.403015     -3.081014     -0.656668
  H      -1.513959     -0.816316     -0.969123
  H      -1.287192      0.747267      0.961747
  H      -1.839088     -0.022044      3.252289
  H      -2.764368     -2.144025      5.874773
  H      -6.427933     -7.762883      5.978594
  H      -8.711831     -7.020685      6.556487
  H      -9.558897     -4.807602      5.790091
  H      -8.102796     -3.289485      4.470777
  H      -6.308724     -2.000963      4.227258
  H       0.707699     -5.942707      5.618905
  H       1.268403     -5.249612      7.922475
  H      -0.382039     -3.986580      9.298157
  H      -2.640667     -3.498630      8.411338
  H      -5.359259     -3.332330      6.219256
  N      -7.055061     -5.310968      1.227882
  H      -7.860559     -5.300687      0.597044
  H      -6.435743     -4.559463      0.903394
  H      -7.385144     -4.957195      2.128711
  N       0.939948     -4.115331      1.289034
  N       1.271646     -3.258418      0.680920
77
Coordinates from ORCA-job orca E -7409.260682761063
  N      -3.117098     -4.110148      1.813313
  C      -3.434494     -4.989523      0.692084
  C      -3.815038     -6.347748      1.245752
  N      -3.062401     -6.563876      2.510330
  C      -3.514655     -7.833595      3.170564
  C      -4.073344     -7.515545      4.554008
  N      -4.702393     -6.216951      4.421072
  Mo     -3.525540     -4.698794      3.764244
  N      -1.721243     -5.394522      4.422550
  C      -0.896450     -6.303275      3.625362
  C      -1.588802     -6.546619      2.299389
  H      -0.751022     -7.241903      4.188387
  H       0.102328     -5.876775      3.439379
  H      -1.263101     -7.492613      1.838587
  H      -1.353177     -5.730814      1.612016
  H      -4.790442     -8.290249      4.859562
  H      -3.275040     -7.474207      5.312247
  H      -4.307347     -8.265678      2.547830
  H      -2.685395     -8.551473      3.216930
  H      -2.561882     -5.064990      0.022404
  H      -4.262583     -4.567233      0.103215
  H      -3.589300     -7.154960      0.527473
  H      -4.887767     -6.377283      1.485691
  C      -2.562634     -2.911198      1.513342
  C      -2.228243     -2.454348      0.212044
  C      -1.737655     -1.176130      0.038746
  C      -1.594268     -0.290791      1.133275
  C      -1.893993     -0.716468      2.408763
  C      -2.329117     -2.045731      2.624866
  N      -2.650846     -2.572305      3.849006
  C      -2.182626     -2.029102      4.971970
  C      -0.915503     -1.385862      5.228558
  O      -0.645903     -0.676633      6.166505
  Cl      0.461876     -1.951215      4.129083
  C      -5.952195     -5.948151      4.877005
  C      -6.792708     -6.794693      5.632846
  C      -8.069334     -6.368590      5.962914
  C      -8.543602     -5.110556      5.545152
  C      -7.728133     -4.255217      4.817119
  C      -6.413392     -4.648830      4.499769
  N      -5.498984     -3.916982      3.754670
  C      -5.817717     -2.606647      3.467410
  C      -5.623893     -2.052359      2.192660
  O      -5.345448     -2.559127      1.117402
  Cl     -5.942330     -0.212136      2.226064
  C      -1.313193     -5.135730      5.696611
  C      -0.038165     -5.435347      6.230138
  C       0.276055     -5.035601      7.516880
  C      -0.662069     -4.326957      8.299388
  C      -1.927401     -4.061671      7.813219
  C      -2.292911     -4.502251      6.521005
  N      -3.522903     -4.310907      5.935332
  C      -4.614388     -3.981589      6.671422
  C      -4.931554     -4.578482      7.930301
  O      -4.401541     -5.476690      8.545884
  Cl     -6.480432     -3.812102      8.608735
  H      -2.396535     -3.088928     -0.655528
  H      -1.503540     -0.826228     -0.968027
  H      -1.279888      0.738630      0.961862
  H      -1.833531     -0.030290      3.253578
  H      -2.777034     -2.147109      5.874408
  H      -6.437525     -7.766910      5.973222
  H      -8.713803     -7.017379      6.557589
  H      -9.557523     -4.800805      5.798900
  H      -8.095828     -3.283474      4.479716
  H      -6.313152     -2.002655      4.228696
  H       0.710387     -5.935141      5.617061
  H       1.271406     -5.235742      7.915718
  H      -0.380544     -3.971336      9.290916
  H      -2.641594     -3.494165      8.407894
  H      -5.368910     -3.350727      6.215458
  N      -7.052272     -5.297738      1.227052
  H      -7.860977     -5.289050      0.600641
  H      -6.437742     -4.542322      0.901941
  H      -7.381272     -4.954981      2.133027
  N       0.933381     -4.122150      1.277455
  N       1.267917     -3.260805      0.675467
77
Coordinates from ORCA-job orca E -7409.260755291587
  N      -3.121506     -4.111956      1.813354
  C      -3.440747     -4.992484      0.692688
  C      -3.821090     -6.349496      1.250663
  N      -3.063704     -6.563964      2.512115
  C      -3.510625     -7.834416      3.173611
  C      -4.078623     -7.515820      4.552873
  N      -4.707417     -6.217717      4.416372
  Mo     -3.529658     -4.699094      3.763374
  N      -1.722420     -5.390416      4.420187
  C      -0.895182     -6.294699      3.620945
  C      -1.590239     -6.543762      2.297017
  H      -0.741887     -7.231779      4.184524
  H       0.100353     -5.862037      3.431327
  H      -1.263044     -7.490118      1.838149
  H      -1.358167     -5.729669      1.606540
  H      -4.797604     -8.290427      4.854374
  H      -3.284685     -7.474090      5.315646
  H      -4.295362     -8.275194      2.546830
  H      -2.675793     -8.545098      3.228019
  H      -2.568991     -5.069919      0.022553
  H      -4.269386     -4.571471      0.103531
  H      -3.600013     -7.159056      0.533616
  H      -4.893846     -6.375919      1.493416
  C      -2.559479     -2.916034      1.513709
  C      -2.220357     -2.461155      0.212808
  C      -1.722284     -1.185692      0.039725
  C      -1.576896     -0.300648      1.134132
  C      -1.881595     -0.724248      2.408963
  C      -2.323372     -2.051550      2.625241
  N      -2.652167     -2.575294      3.848981
  C      -2.190121     -2.029845      4.974006
  C      -0.922180     -1.392125      5.238726
  O      -0.655970     -0.683871      6.178404
  Cl      0.459722     -1.962705      4.147997
  C      -5.956663     -5.949168      4.872068
  C      -6.796710     -6.798219      5.625314
  C      -8.073584     -6.374567      5.956669
  C      -8.549260     -5.116304      5.542450
  C      -7.734081     -4.258144      4.816958
  C      -6.418336     -4.649328      4.498279
  N      -5.503169     -3.914487      3.755118
  C      -5.820691     -2.603009      3.473322
  C      -5.623047     -2.044810      2.200880
  O      -5.343580     -2.549436      1.124289
  Cl     -5.937086     -0.204837      2.239902
  C      -1.312661     -5.128785      5.692620
  C      -0.035141     -5.422380      6.223885
  C       0.280319     -5.018818      7.508995
  C      -0.658812     -4.312292      8.292379
  C      -1.926435     -4.053509      7.808909
  C      -2.293213     -4.498141      6.518437
  N      -3.525430     -4.313542      5.935821
  C      -4.616767     -3.989209      6.673753
  C      -4.927872     -4.585491      7.934737
  O      -4.390805     -5.479312      8.550504
  Cl     -6.479917     -3.828228      8.614379
  H      -2.389545     -3.095030     -0.655069
  H      -1.483827     -0.837868     -0.966685
  H      -1.256929      0.727199      0.962968
  H      -1.820949     -0.037550      3.253155
  H      -2.792267     -2.142429      5.872166
  H      -6.441393     -7.771182      5.963298
  H      -8.717394     -7.026103      6.549049
  H      -9.563825     -4.808814      5.796485
  H      -8.104912     -3.289819      4.483697
  H      -6.317508     -2.001716      4.235581
  H       0.714590     -5.920503      5.610938
  H       1.277467     -5.214511      7.905481
  H      -0.376280     -3.952734      9.282113
  H      -2.641624     -3.488038      8.404317
  H      -5.376420     -3.364207      6.218311
  N      -7.049586     -5.286372      1.226489
  H      -7.863606     -5.278031      0.607057
  H      -6.445785     -4.520993      0.905988
  H      -7.371309     -4.960131      2.140201
  N       0.928901     -4.131298      1.259139
  N       1.269564     -3.264560      0.668761
77
Coordinates from ORCA-job orca E -7409.260848941997
  N      -3.127952     -4.116201      1.812757
  C      -3.450797     -4.996054      0.693912
  C      -3.826331     -6.353027      1.256796
  N      -3.061496     -6.564885      2.513327
  C      -3.498565     -7.836801      3.178911
  C      -4.084355     -7.518259      4.550692
  N      -4.714357     -6.221654      4.408136
  Mo     -3.533769     -4.702194      3.761219
  N      -1.723633     -5.385426      4.417741
  C      -0.890487     -6.279883      3.613879
  C      -1.588380     -6.538075      2.292318
  H      -0.724119     -7.214815      4.177305
  H       0.099187     -5.836352      3.419016
  H      -1.256563     -7.484465      1.836754
  H      -1.361822     -5.726951      1.596310
  H      -4.805717     -8.293760      4.844329
  H      -3.298694     -7.474580      5.321975
  H      -4.268034     -8.294575      2.544847
  H      -2.652332     -8.532858      3.246628
  H      -2.582036     -5.074121      0.020574
  H      -4.282170     -4.576815      0.108898
  H      -3.612026     -7.164657      0.539947
  H      -4.896813     -6.377007      1.507115
  C      -2.556863     -2.923848      1.513287
  C      -2.213884     -2.470069      0.212543
  C      -1.707236     -1.197784      0.040140
  C      -1.558246     -0.314041      1.134964
  C      -1.867078     -0.736487      2.408798
  C      -2.315341     -2.061765      2.624221
  N      -2.651131     -2.582719      3.847488
  C      -2.196779     -2.034250      4.974592
  C      -0.930861     -1.397155      5.247792
  O      -0.672727     -0.687333      6.189009
  Cl      0.460442     -1.968807      4.169965
  C      -5.963090     -5.950654      4.864185
  C      -6.803934     -6.801154      5.614336
  C      -8.079278     -6.375876      5.949362
  C      -8.551711     -5.114663      5.541613
  C      -7.734814     -4.255266      4.818286
  C      -6.423173     -4.649468      4.496142
  N      -5.506729     -3.914453      3.755319
  C      -5.817094     -2.598676      3.482258
  C      -5.620188     -2.035783      2.212078
  O      -5.344280     -2.535452      1.132230
  Cl     -5.926671     -0.194535      2.264439
  C      -1.312935     -5.121476      5.689012
  C      -0.031795     -5.405434      6.217518
  C       0.283850     -4.998663      7.501524
  C      -0.658840     -4.298526      8.286585
  C      -1.929553     -4.049187      7.806103
  C      -2.296022     -4.496637      6.516411
  N      -3.530202     -4.319672      5.935949
  C      -4.621925     -4.000459      6.674794
  C      -4.928944     -4.597445      7.936941
  O      -4.386758     -5.488462      8.552436
  Cl     -6.483412     -3.847289      8.616891
  H      -2.385618     -3.102518     -0.655644
  H      -1.464615     -0.851364     -0.965747
  H      -1.232463      0.712200      0.964748
  H      -1.806711     -0.049347      3.252136
  H      -2.807464     -2.140522      5.868042
  H      -6.450369     -7.775830      5.948916
  H      -8.723848     -7.028797      6.539326
  H      -9.565418     -4.806589      5.798680
  H      -8.100584     -3.280997      4.487744
  H      -6.310377     -2.000574      4.249013
  H       0.720435     -5.898935      5.603870
  H       1.283558     -5.187129      7.895137
  H      -0.376978     -3.935364      9.275143
  H      -2.647481     -3.489380      8.403603
  H      -5.385926     -3.379050      6.221498
  N      -7.057203     -5.277611      1.228471
  H      -7.876694     -5.271277      0.615785
  H      -6.462234     -4.505481      0.908549
  H      -7.376463     -4.963176      2.148190
  N       0.929877     -4.139756      1.241218
  N       1.275127     -3.270082      0.658248
77
Coordinates from ORCA-job orca E -7409.260932440040
  N      -3.131694     -4.120311      1.810622
  C      -3.456992     -5.001874      0.693948
  C      -3.827804     -6.357391      1.263168
  N      -3.055259     -6.566773      2.515542
  C      -3.484282     -7.838959      3.186221
  C      -4.084025     -7.520743      4.551832
  N      -4.712751     -6.224163      4.405909
  Mo     -3.529255     -4.705288      3.760451
  N      -1.723518     -5.385590      4.420896
  C      -0.883047     -6.269461      3.611430
  C      -1.582293     -6.533985      2.291451
  H      -0.705540     -7.203579      4.172960
  H       0.101685     -5.815947      3.413693
  H      -1.246303     -7.480779      1.839529
  H      -1.359461     -5.725534      1.591358
  H      -4.807385     -8.296986      4.838253
  H      -3.305160     -7.476504      5.330099
  H      -4.240706     -8.311992      2.547232
  H      -2.627793     -8.521386      3.264876
  H      -2.589650     -5.081955      0.019069
  H      -4.291359     -4.587149      0.109174
  H      -3.624183     -7.171899      0.547134
  H      -4.895884     -6.376178      1.523120
  C      -2.560668     -2.928048      1.510283
  C      -2.222923     -2.475956      0.208125
  C      -1.720898     -1.202134      0.032232
  C      -1.573368     -0.315754      1.125799
  C      -1.875549     -0.738464      2.401111
  C      -2.314669     -2.066252      2.619089
  N      -2.644165     -2.588966      3.844545
  C      -2.190903     -2.035767      4.970305
  C      -0.930056     -1.386808      5.241343
  O      -0.680119     -0.674898      6.183500
  Cl      0.468515     -1.937476      4.163705
  C      -5.961888     -5.949403      4.860373
  C      -6.805990     -6.799708      5.607230
  C      -8.082279     -6.372290      5.940503
  C      -8.550548     -5.108904      5.533603
  C      -7.729363     -4.250290      4.814669
  C      -6.418401     -4.647945      4.494317
  N      -5.499659     -3.915252      3.756675
  C      -5.802395     -2.595407      3.490712
  C      -5.611695     -2.031440      2.221236
  O      -5.342596     -2.526606      1.137465
  Cl     -5.913497     -0.187626      2.285433
  C      -1.314692     -5.126919      5.694102
  C      -0.034208     -5.411903      6.223230
  C       0.279361     -5.010629      7.509633
  C      -0.664807     -4.314191      8.295843
  C      -1.934576     -4.062362      7.814072
  C      -2.298596     -4.504332      6.521884
  N      -3.530298     -4.321844      5.938404
  C      -4.622862     -3.999949      6.673857
  C      -4.938189     -4.595621      7.935164
  O      -4.401165     -5.487837      8.553654
  Cl     -6.493521     -3.841952      8.605062
  H      -2.394992     -3.111133     -0.658220
  H      -1.481511     -0.856715     -0.974653
  H      -1.253962      0.712350      0.953333
  H      -1.818819     -0.048999      3.242533
  H      -2.800174     -2.144610      5.865582
  H      -6.455022     -7.775369      5.941433
  H      -8.729832     -7.025477      6.526700
  H      -9.565091     -4.800378      5.787969
  H      -8.094497     -3.280597      4.482373
  H      -6.288376     -1.998198      4.263560
  H       0.719415     -5.902732      5.609196
  H       1.278613     -5.200723      7.903399
  H      -0.385548     -3.954954      9.286632
  H      -2.652967     -3.505352      8.413245
  H      -5.383041     -3.374319      6.219615
  N      -7.052794     -5.260679      1.231622
  H      -7.878143     -5.258558      0.627397
  H      -6.465626     -4.482112      0.912954
  H      -7.368640     -4.957346      2.156020
  N       0.929632     -4.143518      1.224514
  N       1.280790     -3.271701      0.647195
77
Coordinates from ORCA-job orca E -7409.260991252075
  N      -3.136246     -4.120489      1.811379
  C      -3.465098     -5.003707      0.696160
  C      -3.831818     -6.359400      1.266690
  N      -3.055097     -6.566896      2.517352
  C      -3.479797     -7.838525      3.191585
  C      -4.087151     -7.520090      4.553379
  N      -4.716559     -6.223995      4.404539
  Mo     -3.531166     -4.704618      3.761891
  N      -1.724826     -5.380276      4.420435
  C      -0.881110     -6.259299      3.608751
  C      -1.583520     -6.530589      2.290790
  H      -0.696417     -7.191639      4.170753
  H       0.100207     -5.800405      3.406902
  H      -1.246015     -7.478514      1.842140
  H      -1.363591     -5.724829      1.586685
  H      -4.809940     -8.297995      4.836441
  H      -3.312697     -7.473409      5.335993
  H      -4.229562     -8.319805      2.550991
  H      -2.618435     -8.513950      3.276015
  H      -2.599605     -5.084053      0.018709
  H      -4.302364     -4.590656      0.113557
  H      -3.630912     -7.173109      0.549079
  H      -4.898712     -6.379835      1.532322
  C      -2.560600     -2.930553      1.510842
  C      -2.224488     -2.479771      0.207686
  C      -1.715576     -1.208875      0.031586
  C      -1.559006     -0.324196      1.125728
  C      -1.860822     -0.745424      2.401656
  C      -2.307084     -2.070703      2.619940
  N      -2.639929     -2.590777      3.845653
  C      -2.186960     -2.038109      4.972151
  C      -0.923211     -1.397128      5.246646
  O      -0.671882     -0.687263      6.189850
  Cl      0.476362     -1.954290      4.172875
  C      -5.966576     -5.950307      4.857288
  C      -6.811218     -6.803482      5.600477
  C      -8.089581     -6.378795      5.929916
  C      -8.557037     -5.114979      5.523108
  C      -7.734955     -4.252681      4.810133
  C      -6.421411     -4.648059      4.492656
  N      -5.500215     -3.914294      3.759394
  C      -5.801329     -2.592760      3.497117
  C      -5.612440     -2.025365      2.229076
  O      -5.346052     -2.515887      1.142512
  Cl     -5.913121     -0.179947      2.302148
  C      -1.314311     -5.118722      5.692770
  C      -0.031286     -5.396310      6.219097
  C       0.282663     -4.993812      7.505109
  C      -0.664010     -4.303410      8.293492
  C      -1.935929     -4.057736      7.814087
  C      -2.299409     -4.500212      6.521964
  N      -3.532536     -4.322527      5.939137
  C      -4.625406     -4.004808      6.676599
  C      -4.938263     -4.605010      7.936297
  O      -4.398088     -5.496784      8.552969
  Cl     -6.496653     -3.858224      8.607922
  H      -2.404484     -3.113525     -0.658166
  H      -1.477543     -0.863442     -0.975602
  H      -1.233608      0.702071      0.953138
  H      -1.798130     -0.056066      3.242765
  H      -2.801910     -2.139632      5.865131
  H      -6.459264     -7.779418      5.933038
  H      -8.738342     -7.033959      6.512444
  H      -9.572954     -4.808439      5.774446
  H      -8.101886     -3.279508      4.475818
  H      -6.286225     -1.997775      4.272514
  H       0.723124     -5.882391      5.602128
  H       1.283717     -5.177840      7.896951
  H      -0.385298     -3.943992      9.284460
  H      -2.655884     -3.504894      8.415058
  H      -5.388227     -3.379332      6.225826
  N      -7.051845     -5.255584      1.230931
  H      -7.881899     -5.258001      0.633593
  H      -6.475487     -4.465947      0.917142
  H      -7.362589     -4.964998      2.160079
  N       0.926668     -4.151040      1.208061
  N       1.282946     -3.277480      0.637348
77
Coordinates from ORCA-job orca E -7409.261056766324
  N      -3.140307     -4.121630      1.813024
  C      -3.472386     -5.005976      0.701205
  C      -3.830868     -6.363233      1.271786
  N      -3.050273     -6.567352      2.520556
  C      -3.468657     -7.839184      3.199729
  C      -4.089996     -7.520513      4.555291
  N      -4.721606     -6.225553      4.401590
  Mo     -3.532392     -4.706023      3.763893
  N      -1.725160     -5.374877      4.421176
  C      -0.875312     -6.245245      3.606559
  C      -1.580908     -6.525359      2.291019
  H      -0.679278     -7.175355      4.168125
  H       0.100318     -5.776650      3.400421
  H      -1.241258     -7.474547      1.846175
  H      -1.365038     -5.722841      1.581480
  H      -4.812090     -8.300985      4.832690
  H      -3.323048     -7.470591      5.345227
  H      -4.207373     -8.333011      2.555763
  H      -2.600646     -8.504541      3.294722
  H      -2.609854     -5.083788      0.019187
  H      -4.313632     -4.595418      0.123089
  H      -3.629940     -7.174487      0.551286
  H      -4.895972     -6.390138      1.543510
  C      -2.563337     -2.932893      1.511185
  C      -2.233074     -2.480699      0.206577
  C      -1.719871     -1.211848      0.031296
  C      -1.551301     -0.330796      1.126596
  C      -1.848998     -0.752266      2.403445
  C      -2.301216     -2.075184      2.621100
  N      -2.633397     -2.594139      3.846529
  C      -2.177817     -2.045303      4.973521
  C      -0.912653     -1.409021      5.249650
  O      -0.659624     -0.703015      6.195659
  Cl      0.487315     -1.966941      4.175691
  C      -5.972365     -5.951568      4.854103
  C      -6.819926     -6.802752      5.596570
  C      -8.097892     -6.373231      5.923177
  C      -8.559073     -5.106989      5.514837
  C      -7.733570     -4.246772      4.804173
  C      -6.422777     -4.647586      4.489990
  N      -5.499742     -3.916638      3.761547
  C      -5.795575     -2.593007      3.500542
  C      -5.608508     -2.024672      2.233404
  O      -5.346303     -2.511924      1.145721
  Cl     -5.902817     -0.175738      2.313052
  C      -1.313721     -5.110098      5.693082
  C      -0.027714     -5.377723      6.216361
  C       0.284421     -4.976596      7.503254
  C      -0.667496     -4.297188      8.294772
  C      -1.941547     -4.058737      7.817041
  C      -2.301985     -4.498742      6.523400
  N      -3.535786     -4.325632      5.939224
  C      -4.630190     -4.013993      6.678560
  C      -4.941124     -4.624179      7.933356
  O      -4.398766     -5.518298      8.544980
  Cl     -6.502453     -3.884988      8.610769
  H      -2.424069     -3.111320     -0.659135
  H      -1.487246     -0.863723     -0.976297
  H      -1.221067      0.693665      0.954305
  H      -1.776488     -0.064773      3.245405
  H      -2.795119     -2.143037      5.865224
  H      -6.470171     -7.779660      5.928607
  H      -8.750116     -7.025363      6.505162
  H      -9.574058     -4.796346      5.764928
  H      -8.096868     -3.272982      4.469526
  H      -6.276105     -1.997590      4.278085
  H       0.728246     -5.855450      5.594550
  H       1.287174     -5.152476      7.894114
  H      -0.391408     -3.940928      9.287677
  H      -2.664860     -3.513144      8.420636
  H      -5.394742     -3.386058      6.233525
  N      -7.064235     -5.254850      1.225558
  H      -7.894647     -5.258187      0.628568
  H      -6.489175     -4.464392      0.912857
  H      -7.381797     -4.966439      2.155527
  N       0.928244     -4.155374      1.190794
  N       1.283154     -3.283598      0.617236
77
Coordinates from ORCA-job orca E -7409.261125737298
  N      -3.141929     -4.122232      1.814686
  C      -3.478286     -5.008886      0.705517
  C      -3.831763     -6.366243      1.278976
  N      -3.046245     -6.566841      2.525919
  C      -3.459719     -7.838916      3.207885
  C      -4.091255     -7.518703      4.558831
  N      -4.723257     -6.224186      4.400401
  Mo     -3.531174     -4.705134      3.766803
  N      -1.723622     -5.372061      4.423998
  C      -0.869532     -6.235703      3.606328
  C      -1.578177     -6.521494      2.293154
  H      -0.663279     -7.164637      4.166049
  H       0.101208     -5.758578      3.397023
  H      -1.238041     -7.471616      1.850623
  H      -1.366074     -5.720914      1.580456
  H      -4.814103     -8.300030      4.832042
  H      -3.330353     -7.467579      5.354562
  H      -4.190588     -8.341342      2.561651
  H      -2.588180     -8.497936      3.312227
  H      -2.618591     -5.084943      0.019256
  H      -4.323079     -4.600585      0.130775
  H      -3.632589     -7.178033      0.558314
  H      -4.895882     -6.395428      1.556088
  C      -2.565803     -2.934310      1.510613
  C      -2.241563     -2.482743      0.204218
  C      -1.728913     -1.214407      0.026598
  C      -1.553569     -0.333770      1.121151
  C      -1.845376     -0.754225      2.400042
  C      -2.298791     -2.076150      2.620515
  N      -2.626547     -2.594346      3.847074
  C      -2.167267     -2.047436      4.973198
  C      -0.902065     -1.410909      5.248183
  O      -0.646470     -0.710667      6.198121
  Cl      0.495306     -1.957957      4.165412
  C      -5.974772     -5.951972      4.851506
  C      -6.824373     -6.803729      5.591136
  C      -8.103111     -6.374299      5.913527
  C      -8.562851     -5.107610      5.504391
  C      -7.735799     -4.245928      4.797653
  C      -6.422701     -4.646103      4.487408
  N      -5.497088     -3.914574      3.762878
  C      -5.791622     -2.590462      3.503127
  C      -5.603793     -2.019814      2.236517
  O      -5.344436     -2.506438      1.148016
  Cl     -5.892457     -0.169464      2.317878
  C      -1.312672     -5.108001      5.696331
  C      -0.025968     -5.373090      6.219135
  C       0.283798     -4.975429      7.507558
  C      -0.671000     -4.301859      8.300822
  C      -1.945168     -4.064516      7.822778
  C      -2.303009     -4.500752      6.527327
  N      -3.535927     -4.326551      5.941484
  C      -4.631677     -4.017613      6.680788
  C      -4.943975     -4.633452      7.931897
  O      -4.402847     -5.529628      8.541195
  Cl     -6.506809     -3.896668      8.611617
  H      -2.439338     -3.113390     -0.660069
  H      -1.502114     -0.865744     -0.982244
  H      -1.223308      0.690077      0.946859
  H      -1.765404     -0.067268      3.241970
  H      -2.782110     -2.147917      5.865552
  H      -6.475151     -7.781296      5.922001
  H      -8.757427     -7.026431      6.493207
  H      -9.578439     -4.796633      5.751351
  H      -8.100699     -3.271765      4.465693
  H      -6.270124     -1.994597      4.281390
  H       0.730825     -5.845632      5.594350
  H       1.286584     -5.148757      7.899547
  H      -0.396560     -3.949504      9.295625
  H      -2.670145     -3.521902      8.427276
  H      -5.395351     -3.387971      6.237254
  N      -7.066486     -5.246927      1.221519
  H      -7.899156     -5.251592      0.627625
  H      -6.496056     -4.451440      0.911169
  H      -7.382660     -4.967129      2.154220
  N       0.924548     -4.159201      1.171219
  N       1.282484     -3.286564      0.600351
77
Coordinates from ORCA-job orca E -7409.261215546475
  N      -3.145108     -4.121353      1.816742
  C      -3.486915     -5.010515      0.711255
  C      -3.830911     -6.369397      1.287885
  N      -3.040505     -6.564293      2.532976
  C      -3.446894     -7.836743      3.217744
  C      -4.091293     -7.515047      4.562964
  N      -4.724894     -6.221919      4.398229
  Mo     -3.530953     -4.702310      3.770117
  N      -1.722021     -5.367775      4.427396
  C      -0.862034     -6.221542      3.605990
  C      -1.573039     -6.514355      2.295726
  H      -0.641164     -7.148768      4.162969
  H       0.101665     -5.731660      3.393338
  H      -1.231592     -7.465139      1.855838
  H      -1.366128     -5.715719      1.579559
  H      -4.815071     -8.297310      4.831516
  H      -3.337570     -7.462626      5.365099
  H      -4.167519     -8.349524      2.568944
  H      -2.571730     -8.487699      3.334464
  H      -2.632014     -5.081591      0.018411
  H      -4.337601     -4.606561      0.142128
  H      -3.629420     -7.181025      0.567907
  H      -4.893286     -6.405906      1.569061
  C      -2.569929     -2.934637      1.509275
  C      -2.253491     -2.483489      0.200891
  C      -1.738686     -1.216691      0.020412
  C      -1.552205     -0.337476      1.114320
  C      -1.836580     -0.756980      2.395372
  C      -2.295542     -2.076775      2.619096
  N      -2.618386     -2.594208      3.846688
  C      -2.152647     -2.051823      4.972659
  C      -0.883704     -1.421969      5.247649
  O      -0.620411     -0.731807      6.202719
  Cl      0.505680     -1.960783      4.150966
  C      -5.977235     -5.952068      4.848392
  C      -6.828941     -6.803787      5.585472
  C      -8.107782     -6.373762      5.904994
  C      -8.567008     -5.106905      5.495561
  C      -7.738616     -4.244631      4.790676
  C      -6.423837     -4.644370      4.484289
  N      -5.496016     -3.911619      3.763542
  C      -5.790640     -2.587844      3.506027
  C      -5.601035     -2.013861      2.240374
  O      -5.345949     -2.501365      1.151435
  Cl     -5.881631     -0.163465      2.322781
  C      -1.312737     -5.105064      5.700321
  C      -0.025302     -5.367320      6.223647
  C       0.280821     -4.973597      7.513974
  C      -0.677677     -4.306831      8.308819
  C      -1.951700     -4.071117      7.829688
  C      -2.306126     -4.503213      6.531924
  N      -3.537638     -4.327439      5.943972
  C      -4.635237     -4.022400      6.682878
  C      -4.949066     -4.645514      7.929321
  O      -4.410105     -5.544833      8.535291
  Cl     -6.513128     -3.911002      8.612630
  H      -2.460648     -3.113396     -0.662088
  H      -1.518888     -0.867877     -0.989955
  H      -1.219192      0.685161      0.938005
  H      -1.745049     -0.071525      3.237806
  H      -2.765426     -2.155728      5.865801
  H      -6.480219     -7.781889      5.915340
  H      -8.764034     -7.025490      6.483060
  H      -9.583133     -4.795266      5.739349
  H      -8.104423     -3.271026      4.462403
  H      -6.268145     -1.991619      4.284554
  H       0.733088     -5.833595      5.596239
  H       1.283291     -5.144004      7.908258
  H      -0.404972     -3.958373      9.305615
  H      -2.678948     -3.531932      8.434507
  H      -5.397137     -3.390712      6.239944
  N      -7.071198     -5.241179      1.214313
  H      -7.905796     -5.251889      0.622434
  H      -6.507717     -4.438435      0.907586
  H      -7.390808     -4.972458      2.149193
  N       0.918975     -4.161744      1.146178
  N       1.278953     -3.288079      0.576669
77
Coordinates from ORCA-job orca E -7409.261299441588
  N      -3.148253     -4.120863      1.818591
  C      -3.495842     -5.012839      0.717015
  C      -3.830116     -6.373261      1.297863
  N      -3.034473     -6.561719      2.540579
  C      -3.432865     -7.834152      3.228439
  C      -4.090519     -7.510943      4.567603
  N      -4.725823     -6.219613      4.395809
  Mo     -3.530796     -4.699106      3.773209
  N      -1.719860     -5.363657      4.430761
  C      -0.854419     -6.207323      3.605448
  C      -1.567594     -6.506939      2.297348
  H      -0.619107     -7.132501      4.160064
  H       0.102372     -5.704785      3.389734
  H      -1.224428     -7.457863      1.859422
  H      -1.366980     -5.709720      1.577855
  H      -4.815456     -8.293759      4.831799
  H      -3.343393     -7.456631      5.375725
  H      -4.142550     -8.358460      2.576678
  H      -2.552779     -8.475819      3.357819
  H      -2.646548     -5.079698      0.017181
  H      -4.353040     -4.613921      0.153765
  H      -3.626203     -7.185506      0.579370
  H      -4.890233     -6.416162      1.584181
  C      -2.573914     -2.934763      1.507177
  C      -2.262733     -2.484068      0.197255
  C      -1.745281     -1.218727      0.014263
  C      -1.550896     -0.340290      1.107470
  C      -1.830368     -0.758918      2.389742
  C      -2.293696     -2.077043      2.615942
  N      -2.611920     -2.594215      3.844563
  C      -2.139890     -2.055323      4.969873
  C      -0.868327     -1.430607      5.243200
  O      -0.596909     -0.748617      6.202185
  Cl      0.512863     -1.965071      4.133956
  C      -5.978878     -5.951161      4.844513
  C      -6.832538     -6.803858      5.577752
  C      -8.111709     -6.374389      5.895519
  C      -8.571104     -5.107148      5.488141
  C      -7.741132     -4.243456      4.785987
  C      -6.425163     -4.642532      4.481866
  N      -5.495152     -3.907937      3.764435
  C      -5.790090     -2.583865      3.510732
  C      -5.601496     -2.006523      2.245815
  O      -5.351189     -2.495291      1.156124
  Cl     -5.875924     -0.157554      2.330219
  C      -1.312846     -5.103731      5.704500
  C      -0.025367     -5.365188      6.229221
  C       0.276858     -4.976576      7.521709
  C      -0.684761     -4.315412      8.317765
  C      -1.957937     -4.079399      7.836916
  C      -2.308942     -4.506445      6.536572
  N      -3.538781     -4.327784      5.946619
  C      -4.638097     -4.024893      6.684584
  C      -4.954782     -4.653319      7.927122
  O      -4.418544     -5.555606      8.530926
  Cl     -6.520114     -3.919622      8.611016
  H      -2.475528     -3.113217     -0.664978
  H      -1.529470     -0.870985     -0.997305
  H      -1.214915      0.681084      0.929723
  H      -1.731423     -0.074507      3.232348
  H      -2.748830     -2.163072      5.864461
  H      -6.484531     -7.782633      5.906291
  H      -8.769605     -7.027189      6.470583
  H      -9.588040     -4.795964      5.729145
  H      -8.106246     -3.269699      4.460184
  H      -6.266183     -1.988160      4.290576
  H       0.735242     -5.826783      5.601103
  H       1.278470     -5.146610      7.918249
  H      -0.414016     -3.971096      9.316439
  H      -2.687498     -3.543720      8.442117
  H      -5.396965     -3.390394      6.240730
  N      -7.073586     -5.234341      1.207902
  H      -7.910150     -5.252002      0.618239
  H      -6.519782     -4.422717      0.905808
  H      -7.396566     -4.979031      2.145681
  N       0.911809     -4.163926      1.117770
  N       1.275563     -3.288945      0.552524
77
Coordinates from ORCA-job orca E -7409.261398214936
  N      -3.151208     -4.119036      1.820498
  C      -3.503196     -5.012543      0.722029
  C      -3.826913     -6.375598      1.304494
  N      -3.028151     -6.558047      2.546359
  C      -3.420056     -7.830143      3.236725
  C      -4.086270     -7.506649      4.572160
  N      -4.723492     -6.217234      4.395758
  Mo     -3.530015     -4.694571      3.776202
  N      -1.717663     -5.360616      4.434452
  C      -0.848040     -6.196312      3.606398
  C      -1.560867     -6.499272      2.299193
  H      -0.602929     -7.120000      4.159289
  H       0.103927     -5.684516      3.390416
  H      -1.215608     -7.449596      1.861967
  H      -1.364808     -5.702488      1.578143
  H      -4.811740     -8.289758      4.834205
  H      -3.342325     -7.450685      5.383015
  H      -4.122224     -8.362601      2.583462
  H      -2.536264     -8.464844      3.374298
  H      -2.659431     -5.073926      0.015532
  H      -4.366924     -4.619172      0.165287
  H      -3.616586     -7.187253      0.587439
  H      -4.884992     -6.426966      1.593192
  C      -2.579787     -2.932619      1.504958
  C      -2.273418     -2.482332      0.194063
  C      -1.753414     -1.218046      0.008601
  C      -1.552589     -0.339911      1.101175
  C      -1.828017     -0.758253      2.384092
  C      -2.294872     -2.075188      2.611702
  N      -2.607845     -2.593177      3.841283
  C      -2.126849     -2.058428      4.965438
  C      -0.849448     -1.443562      5.233070
  O      -0.565036     -0.767686      6.192459
  Cl      0.518589     -1.984078      4.109546
  C      -5.977680     -5.949310      4.842020
  C      -6.834124     -6.802532      5.571010
  C      -8.113941     -6.373085      5.886552
  C      -8.573166     -5.104982      5.481535
  C      -7.740390     -4.240680      4.782475
  C      -6.424570     -4.641125      4.480827
  N      -5.493732     -3.904625      3.765702
  C      -5.790214     -2.580254      3.516639
  C      -5.605894     -1.999558      2.252379
  O      -5.361955     -2.489286      1.161223
  Cl     -5.876681     -0.153302      2.338891
  C      -1.314215     -5.105135      5.709750
  C      -0.027847     -5.368966      6.237426
  C       0.270931     -4.985102      7.531993
  C      -0.692442     -4.326244      8.328088
  C      -1.963987     -4.087820      7.844531
  C      -2.312021     -4.509910      6.541566
  N      -3.539617     -4.326230      5.949217
  C      -4.640735     -4.023053      6.684850
  C      -4.963328     -4.655356      7.923686
  O      -4.432700     -5.562253      8.525343
  Cl     -6.528433     -3.918506      8.605317
  H      -2.489383     -3.110959     -0.667764
  H      -1.540318     -0.871951     -1.004029
  H      -1.213707      0.680624      0.922506
  H      -1.724495     -0.074723      3.226875
  H      -2.729977     -2.168428      5.863713
  H      -6.487954     -7.782011      5.899480
  H      -8.773831     -7.027122      6.457966
  H      -9.590916     -4.794010      5.719630
  H      -8.102049     -3.267048      4.456894
  H      -6.264758     -1.986197      4.298928
  H       0.735073     -5.828725      5.610876
  H       1.271278     -5.157413      7.930936
  H      -0.423283     -3.985018      9.328223
  H      -2.695303     -3.553993      8.449171
  H      -5.394333     -3.383960      6.238639
  N      -7.075251     -5.235078      1.203388
  H      -7.912388     -5.267002      0.615302
  H      -6.534192     -4.412695      0.906271
  H      -7.406190     -4.993519      2.142459
  N       0.906259     -4.161637      1.096661
  N       1.271009     -3.285194      0.533473
77
Coordinates from ORCA-job orca E -7409.261496852923
  N      -3.152321     -4.118254      1.822894
  C      -3.508012     -5.014294      0.726890
  C      -3.824250     -6.379146      1.311142
  N      -3.023812     -6.556075      2.552410
  C      -3.411195     -7.827079      3.245362
  C      -4.083901     -7.502962      4.577398
  N      -4.720637     -6.214284      4.397315
  Mo     -3.528151     -4.690444      3.780131
  N      -1.714683     -5.360112      4.439202
  C      -0.843259     -6.190997      3.608802
  C      -1.557086     -6.494695      2.301372
  H      -0.592547     -7.113911      4.160766
  H       0.106389     -5.673866      3.392913
  H      -1.210813     -7.443977      1.862785
  H      -1.365305     -5.696844      1.580151
  H      -4.810471     -8.285507      4.837721
  H      -3.341969     -7.445651      5.390112
  H      -4.107275     -8.366579      2.590776
  H      -2.523661     -8.455718      3.389165
  H      -2.669104     -5.073903      0.015048
  H      -4.377164     -4.625555      0.174921
  H      -3.606296     -7.190388      0.596187
  H      -4.881574     -6.437457      1.599920
  C      -2.585300     -2.929978      1.503168
  C      -2.280982     -2.479980      0.191636
  C      -1.762283     -1.214936      0.004354
  C      -1.562043     -0.335277      1.096097
  C      -1.835327     -0.753724      2.379072
  C      -2.299621     -2.071462      2.607331
  N      -2.605866     -2.591304      3.838322
  C      -2.116520     -2.058081      4.959862
  C      -0.835163     -1.447975      5.217107
  O      -0.538627     -0.773734      6.173915
  Cl      0.519453     -1.996199      4.080405
  C      -5.975818     -5.946051      4.839375
  C      -6.834455     -6.802501      5.561799
  C      -8.115901     -6.376246      5.874676
  C      -8.575608     -5.107436      5.473893
  C      -7.740420     -4.240114      4.781169
  C      -6.423317     -4.638610      4.481402
  N      -5.490851     -3.899164      3.768517
  C      -5.787579     -2.573776      3.524223
  C      -5.610213     -1.992734      2.259105
  O      -5.372585     -2.484951      1.166434
  Cl     -5.879417     -0.149507      2.345082
  C      -1.314558     -5.110081      5.716208
  C      -0.030493     -5.379875      6.247168
  C       0.266255     -5.001109      7.543701
  C      -0.696645     -4.340872      8.339259
  C      -1.965869     -4.096689      7.852766
  C      -2.312181     -4.513637      6.547548
  N      -3.537600     -4.323296      5.953075
  C      -4.639945     -4.016367      6.685585
  C      -4.969961     -4.648309      7.922826
  O      -4.444774     -5.558525      8.524882
  Cl     -6.534713     -3.906079      8.597597
  H      -2.494318     -3.108995     -0.670299
  H      -1.549716     -0.870681     -1.008897
  H      -1.224201      0.685700      0.916738
  H      -1.734182     -0.069909      3.221620
  H      -2.710456     -2.171271      5.864055
  H      -6.490128     -7.782929      5.889168
  H      -8.777197     -7.034141      6.439972
  H      -9.594671     -4.798868      5.709619
  H      -8.098951     -3.263890      4.455147
  H      -6.259295     -1.981045      4.309613
  H       0.734250     -5.841438      5.624162
  H       1.264993     -5.179520      7.943999
  H      -0.428798     -4.002655      9.340648
  H      -2.697587     -3.562890      8.456864
  H      -5.387883     -3.372895      6.235512
  N      -7.068359     -5.233445      1.196594
  H      -7.905671     -5.275073      0.609609
  H      -6.541187     -4.399535      0.905814
  H      -7.401816     -5.006412      2.137997
  N       0.895670     -4.160071      1.071965
  N       1.265616     -3.282234      0.516688
77
Coordinates from ORCA-job orca E -7409.261574631109
  N      -3.154290     -4.117556      1.824311
  C      -3.510618     -5.013664      0.730069
  C      -3.818099     -6.380677      1.313251
  N      -3.016320     -6.553701      2.554407
  C      -3.398735     -7.825073      3.250509
  C      -4.078978     -7.502603      4.579733
  N      -4.716735     -6.214755      4.398469
  Mo     -3.525503     -4.688577      3.782400
  N      -1.712219     -5.359236      4.443390
  C      -0.837550     -6.184984      3.610997
  C      -1.549947     -6.487576      2.302971
  H      -0.584207     -7.108097      4.161308
  H       0.110692     -5.664673      3.396433
  H      -1.200609     -7.434973      1.862470
  H      -1.360206     -5.688141      1.582895
  H      -4.805318     -8.286159      4.837231
  H      -3.339247     -7.443587      5.394607
  H      -4.087518     -8.372542      2.594121
  H      -2.506118     -8.446016      3.399160
  H      -2.675169     -5.070519      0.014005
  H      -4.384343     -4.629586      0.183033
  H      -3.592879     -7.189869      0.598075
  H      -4.874773     -6.445901      1.601724
  C      -2.592299     -2.927668      1.501970
  C      -2.290923     -2.477072      0.190332
  C      -1.773741     -1.211032      0.002657
  C      -1.572900     -0.330896      1.094134
  C      -1.843803     -0.750413      2.377203
  C      -2.305377     -2.068976      2.604309
  N      -2.605737     -2.591320      3.835817
  C      -2.107893     -2.060368      4.954879
  C      -0.820922     -1.458049      5.199921
  O      -0.511130     -0.783057      6.151995
  Cl      0.521362     -2.021826      4.053097
  C      -5.973355     -5.944274      4.838122
  C      -6.837028     -6.798860      5.557428
  C      -8.118641     -6.368066      5.867954
  C      -8.573296     -5.096057      5.469156
  C      -7.732498     -4.231722      4.780123
  C      -6.418837     -4.637471      4.482259
  N      -5.487361     -3.898792      3.770320
  C      -5.782386     -2.571360      3.528631
  C      -5.614963     -1.990563      2.262988
  O      -5.384307     -2.482879      1.169335
  Cl     -5.883795     -0.148195      2.350494
  C      -1.316002     -5.114157      5.722584
  C      -0.034116     -5.388252      6.256490
  C       0.260415     -5.014574      7.555112
  C      -0.703044     -4.354450      8.350059
  C      -1.970286     -4.105800      7.860620
  C      -2.314058     -4.517321      6.552961
  N      -3.537162     -4.321246      5.955557
  C      -4.641075     -4.011242      6.684312
  C      -4.979092     -4.644076      7.919356
  O      -4.459368     -5.558665      8.520177
  Cl     -6.542688     -3.896885      8.588401
  H      -2.503292     -3.105778     -0.671881
  H      -1.562471     -0.866572     -1.010809
  H      -1.236263      0.690639      0.914666
  H      -1.744299     -0.067130      3.220081
  H      -2.693580     -2.171925      5.865019
  H      -6.498657     -7.781144      5.885476
  H      -8.783343     -7.025343      6.429918
  H      -9.591610     -4.784534      5.704589
  H      -8.081485     -3.255243      4.452935
  H      -6.249219     -1.980123      4.318299
  H       0.732565     -5.850741      5.636463
  H       1.258011     -5.197747      7.956146
  H      -0.437902     -4.019785      9.353276
  H      -2.702986     -3.573077      8.464518
  H      -5.384188     -3.362897      6.232904
  N      -7.072082     -5.240130      1.192864
  H      -7.907046     -5.298048      0.605216
  H      -6.558117     -4.396876      0.907553
  H      -7.416091     -5.027869      2.135034
  N       0.893806     -4.154500      1.057496
  N       1.263329     -3.275606      0.503440
77
Coordinates from ORCA-job orca E -7409.261661207121
  N      -3.153829     -4.117906      1.825342
  C      -3.508667     -5.014642      0.730244
  C      -3.815921     -6.381849      1.311992
  N      -3.015459     -6.553946      2.554159
  C      -3.398819     -7.825017      3.251429
  C      -4.080408     -7.503257      4.579440
  N      -4.714869     -6.213548      4.400003
  Mo     -3.522821     -4.687613      3.783982
  N      -1.711103     -5.361641      4.446917
  C      -0.837458     -6.189690      3.614891
  C      -1.549604     -6.487571      2.305662
  H      -0.589969     -7.114435      4.164837
  H       0.113611     -5.674220      3.402118
  H      -1.199705     -7.433577      1.862182
  H      -1.357946     -5.685909      1.588632
  H      -4.807784     -8.286417      4.834605
  H      -3.341647     -7.445162      5.395425
  H      -4.085824     -8.373853      2.594063
  H      -2.504708     -8.444250      3.399674
  H      -2.672842     -5.073269      0.014582
  H      -4.382538     -4.631268      0.183786
  H      -3.585730     -7.189938      0.597068
  H      -4.875225     -6.448481      1.596281
  C      -2.595617     -2.926297      1.502619
  C      -2.294146     -2.475815      0.191184
  C      -1.782205     -1.207523      0.003608
  C      -1.586846     -0.325469      1.094507
  C      -1.857207     -0.745536      2.377830
  C      -2.311647     -2.066170      2.604266
  N      -2.607991     -2.590467      3.836487
  C      -2.106234     -2.057944      4.952994
  C      -0.816324     -1.458127      5.186841
  O      -0.499144     -0.778340      6.132785
  Cl      0.518429     -2.035107      4.035895
  C      -5.971558     -5.942010      4.836933
  C      -6.835483     -6.800060      5.552259
  C      -8.117987     -6.371925      5.861432
  C      -8.571134     -5.098613      5.465979
  C      -7.729837     -4.231282      4.782444
  C      -6.415531     -4.634394      4.483975
  N      -5.483738     -3.894638      3.772531
  C      -5.775685     -2.565604      3.532016
  C      -5.613738     -1.988471      2.264439
  O      -5.386526     -2.482142      1.169804
  Cl     -5.882728     -0.145270      2.349323
  C      -1.316298     -5.118875      5.727224
  C      -0.036542     -5.398050      6.262667
  C       0.259059     -5.025231      7.561697
  C      -0.702096     -4.360495      8.355346
  C      -1.968077     -4.107318      7.864551
  C      -2.312377     -4.517868      6.556727
  N      -3.534489     -4.317961      5.958168
  C      -4.638323     -4.003355      6.683999
  C      -4.981664     -4.632083      7.920464
  O      -4.465013     -5.547609      8.522881
  Cl     -6.543610     -3.880336      8.582976
  H      -2.502408     -3.105915     -0.670846
  H      -1.570715     -0.862324     -1.009606
  H      -1.255376      0.697738      0.914513
  H      -1.763160     -0.061415      3.220365
  H      -2.685668     -2.166373      5.868157
  H      -6.498415     -7.783597      5.877860
  H      -8.782884     -7.032325      6.419396
  H      -9.589792     -4.789071      5.702550
  H      -8.078912     -3.250192      4.455744
  H      -6.238677     -1.974505      4.324112
  H       0.729669     -5.864753      5.645138
  H       1.256133     -5.213223      7.961925
  H      -0.437640     -4.026192      9.358976
  H      -2.699305     -3.571930      8.467850
  H      -5.379990     -3.354032      6.231404
  N      -7.064633     -5.241335      1.189479
  H      -7.898586     -5.306854      0.602693
  H      -6.561019     -4.390175      0.908722
  H      -7.406111     -5.038498      2.133260
  N       0.886946     -4.152940      1.049325
  N       1.262207     -3.272726      0.502340
77
Coordinates from ORCA-job orca E -7409.261745841330
  N      -3.155344     -4.119165      1.826765
  C      -3.510188     -5.016947      0.732606
  C      -3.812188     -6.385145      1.314529
  N      -3.011270     -6.554336      2.556349
  C      -3.390800     -7.826045      3.256368
  C      -4.083627     -7.505196      4.578941
  N      -4.716682     -6.214550      4.398039
  Mo     -3.521078     -4.688802      3.785903
  N      -1.709737     -5.360970      4.450791
  C      -0.833328     -6.184449      3.616609
  C      -1.547634     -6.483216      2.307505
  H      -0.582377     -7.109857      4.163930
  H       0.115598     -5.665281      3.402417
  H      -1.195409     -7.427643      1.862080
  H      -1.358537     -5.679834      1.591580
  H      -4.812195     -8.289411      4.827198
  H      -3.352026     -7.447659      5.401352
  H      -4.067720     -8.383292      2.595814
  H      -2.492580     -8.437056      3.412414
  H      -2.675676     -5.075037      0.014870
  H      -4.387056     -4.635274      0.188396
  H      -3.577153     -7.191192      0.598735
  H      -4.872483     -6.457035      1.595556
  C      -2.599028     -2.926751      1.503783
  C      -2.300296     -2.474860      0.191817
  C      -1.791422     -1.205527      0.005129
  C      -1.595153     -0.324291      1.096343
  C      -1.862311     -0.745363      2.380487
  C      -2.314206     -2.066681      2.606551
  N      -2.607288     -2.592434      3.838832
  C      -2.101205     -2.059996      4.953627
  C      -0.807403     -1.465916      5.180335
  O      -0.481348     -0.786654      6.123614
  Cl      0.519153     -2.051462      4.022593
  C      -5.973668     -5.942112      4.835124
  C      -6.839753     -6.798955      5.549900
  C      -8.121804     -6.367693      5.858647
  C      -8.571201     -5.092533      5.463669
  C      -7.728080     -4.226908      4.781640
  C      -6.414098     -4.632714      4.483214
  N      -5.481543     -3.894308      3.773693
  C      -5.769001     -2.563718      3.533575
  C      -5.609869     -1.988696      2.264989
  O      -5.385919     -2.482675      1.170134
  Cl     -5.875740     -0.143096      2.349519
  C      -1.315871     -5.118621      5.731591
  C      -0.036421     -5.397130      6.267235
  C       0.258234     -5.026204      7.567215
  C      -0.703991     -4.363354      8.360923
  C      -1.969862     -4.109878      7.869385
  C      -2.312811     -4.518767      6.560870
  N      -3.534390     -4.318009      5.960740
  C      -4.638702     -4.003275      6.684957
  C      -4.983944     -4.631375      7.921687
  O      -4.467269     -5.546734      8.524837
  Cl     -6.546087     -3.880498      8.582072
  H      -2.510865     -3.104639     -0.669962
  H      -1.582885     -0.857612     -1.007857
  H      -1.266462      0.699576      0.915955
  H      -1.766058     -0.062290      3.223710
  H      -2.677750     -2.164231      5.871268
  H      -6.505744     -7.783943      5.873904
  H      -8.788145     -7.027065      6.416050
  H      -9.588941     -4.781268      5.701491
  H      -8.074371     -3.245204      4.456571
  H      -6.228402     -1.972049      4.327144
  H       0.730249     -5.862060      5.648898
  H       1.255470     -5.213978      7.967191
  H      -0.441664     -4.031041      9.365924
  H      -2.701224     -3.575311      8.473190
  H      -5.381675     -3.354654      6.233349
  N      -7.062614     -5.238927      1.177422
  H      -7.895195     -5.309861      0.588486
  H      -6.569644     -4.379647      0.903942
  H      -7.405822     -5.053020      2.123791
  N       0.874436     -4.153423      1.024231
  N       1.259181     -3.273253      0.485351
77
Coordinates from ORCA-job orca E -7409.261842751414
  N      -3.154182     -4.118965      1.825946
  C      -3.504698     -5.016383      0.729835
  C      -3.805287     -6.385169      1.310277
  N      -3.008329     -6.554089      2.554439
  C      -3.389736     -7.827083      3.253179
  C      -4.087683     -7.507223      4.573243
  N      -4.717942     -6.214359      4.394057
  Mo     -3.518069     -4.690176      3.784301
  N      -1.708908     -5.362818      4.453601
  C      -0.832513     -6.189299      3.621993
  C      -1.544508     -6.482530      2.310867
  H      -0.589538     -7.117296      4.168343
  H       0.119529     -5.675626      3.411281
  H      -1.191410     -7.425146      1.862234
  H      -1.351934     -5.675649      1.600156
  H      -4.818495     -8.291314      4.815677
  H      -3.361433     -7.453421      5.400663
  H      -4.063993     -8.384014      2.589615
  H      -2.491961     -8.438397      3.411097
  H      -2.668209     -5.071901      0.013767
  H      -4.381775     -4.635463      0.185645
  H      -3.564376     -7.189182      0.593551
  H      -4.868375     -6.458701      1.584190
  C      -2.601233     -2.924993      1.505668
  C      -2.305137     -2.470270      0.194219
  C      -1.802412     -1.198713      0.009974
  C      -1.608041     -0.319277      1.102195
  C      -1.871947     -0.742698      2.386726
  C      -2.319607     -2.065347      2.611404
  N      -2.609980     -2.594038      3.842510
  C      -2.098461     -2.061744      4.955271
  C      -0.800545     -1.474038      5.172987
  O      -0.463252     -0.794265      6.111882
  Cl      0.517195     -2.071732      4.006558
  C      -5.973715     -5.941357      4.834804
  C      -6.838644     -6.796609      5.552842
  C      -8.118229     -6.362216      5.865929
  C      -8.564931     -5.085412      5.472434
  C      -7.723722     -4.221447      4.786876
  C      -6.411104     -4.629099      4.482601
  N      -5.479500     -3.893647      3.771510
  C      -5.764488     -2.563070      3.525824
  C      -5.608141     -1.994190      2.254550
  O      -5.386160     -2.492424      1.162304
  Cl     -5.873863     -0.146042      2.332162
  C      -1.316444     -5.120210      5.734852
  C      -0.038411     -5.400828      6.272251
  C       0.254795     -5.030367      7.572801
  C      -0.707534     -4.365674      8.364736
  C      -1.972353     -4.109726      7.871235
  C      -2.313965     -4.519078      6.562773
  N      -3.534448     -4.317163      5.960840
  C      -4.638587     -4.000918      6.683127
  C      -4.985315     -4.624432      7.922222
  O      -4.469445     -5.537879      8.528954
  Cl     -6.546412     -3.871710      8.580276
  H      -2.516216     -3.099933     -0.667659
  H      -1.596662     -0.846461     -1.002244
  H      -1.284554      0.705868      0.922063
  H      -1.773431     -0.061459      3.231461
  H      -2.671056     -2.161268      5.875124
  H      -6.505145     -7.782707      5.873861
  H      -8.783660     -7.019466      6.426955
  H      -9.580434     -4.771647      5.716258
  H      -8.070582     -3.238488      4.468671
  H      -6.220430     -1.967681      4.318205
  H       0.727467     -5.865768      5.652919
  H       1.251189     -5.219275      7.974329
  H      -0.447218     -4.034419      9.370714
  H      -2.702758     -3.572650      8.474136
  H      -5.383721     -3.355219      6.231419
  N      -7.060066     -5.243427      1.170457
  H      -7.889573     -5.324146      0.578428
  H      -6.579332     -4.375176      0.904644
  H      -7.404723     -5.074389      2.119037
  N       0.867017     -4.148993      1.012892
  N       1.261840     -3.266956      0.482601
77
Coordinates from ORCA-job orca E -7409.261907791329
  N      -3.154575     -4.120270      1.825816
  C      -3.504353     -5.017545      0.729311
  C      -3.800610     -6.387888      1.309741
  N      -3.006167     -6.554723      2.555381
  C      -3.386404     -7.828091      3.254010
  C      -4.092286     -7.508443      4.570001
  N      -4.721231     -6.214935      4.388964
  Mo     -3.517157     -4.692161      3.783101
  N      -1.708514     -5.363903      4.455225
  C      -0.830997     -6.189255      3.623884
  C      -1.542320     -6.481761      2.311937
  H      -0.588034     -7.117924      4.169021
  H       0.120682     -5.674431      3.414414
  H      -1.188003     -7.423280      1.862133
  H      -1.350976     -5.673212      1.602960
  H      -4.825694     -8.292028      4.806484
  H      -3.372185     -7.457496      5.402806
  H      -4.054722     -8.388216      2.587626
  H      -2.487938     -8.436257      3.417968
  H      -2.668505     -5.068629      0.012134
  H      -4.384125     -4.637620      0.187609
  H      -3.554069     -7.190096      0.592836
  H      -4.864144     -6.465615      1.578289
  C      -2.602938     -2.925311      1.506690
  C      -2.309248     -2.468883      0.195080
  C      -1.809136     -1.196563      0.011359
  C      -1.615373     -0.318143      1.104557
  C      -1.876669     -0.742990      2.389174
  C      -2.322360     -2.066605      2.613910
  N      -2.610641     -2.597406      3.844706
  C      -2.096099     -2.065133      4.956784
  C      -0.797177     -1.479532      5.172135
  O      -0.454881     -0.801570      6.110207
  Cl      0.515336     -2.078576      3.999185
  C      -5.976078     -5.940865      4.832507
  C      -6.841263     -6.793629      5.552731
  C      -8.118761     -6.355636      5.869442
  C      -8.563441     -5.077598      5.477344
  C      -7.722482     -4.215878      4.788441
  C      -6.411341     -4.627071      4.480156
  N      -5.478469     -3.893798      3.769999
  C      -5.759407     -2.562602      3.525179
  C      -5.602532     -1.994399      2.253355
  O      -5.383822     -2.493083      1.160255
  Cl     -5.862061     -0.144539      2.331280
  C      -1.316568     -5.120537      5.736315
  C      -0.038210     -5.399837      6.274429
  C       0.253708     -5.028638      7.574946
  C      -0.709654     -4.364635      8.366069
  C      -1.974551     -4.109812      7.871903
  C      -2.315417     -4.520558      6.563677
  N      -3.535777     -4.319492      5.961129
  C      -4.639654     -4.003811      6.683430
  C      -4.985870     -4.625686      7.923544
  O      -4.470738     -5.538207      8.531706
  Cl     -6.546095     -3.872135      8.582080
  H      -2.521199     -3.099099     -0.666397
  H      -1.605066     -0.842696     -1.000613
  H      -1.294295      0.707721      0.924737
  H      -1.776253     -0.062361      3.234481
  H      -2.667497     -2.164324      5.877234
  H      -6.508180     -7.780208      5.872490
  H      -8.784369     -7.010510      6.433082
  H      -9.577332     -4.761066      5.724284
  H      -8.067676     -3.232413      4.474632
  H      -6.211754     -1.965242      4.318074
  H       0.727521     -5.863107      5.653779
  H       1.249878     -5.215848      7.977961
  H      -0.449850     -4.032752      9.372011
  H      -2.704995     -3.572419      8.474333
  H      -5.386017     -3.359899      6.231806
  N      -7.053593     -5.245746      1.161896
  H      -7.882136     -5.332099      0.568792
  H      -6.585710     -4.368614      0.902688
  H      -7.399146     -5.094134      2.112674
  N       0.854784     -4.144563      0.996788
  N       1.262974     -3.262162      0.477436
77
Coordinates from ORCA-job orca E -7409.261981013279
  N      -3.152018     -4.120423      1.823138
  C      -3.498862     -5.017305      0.724808
  C      -3.795729     -6.388299      1.304942
  N      -3.006956     -6.555575      2.553454
  C      -3.390751     -7.828581      3.249005
  C      -4.097807     -7.508292      4.564088
  N      -4.724471     -6.213653      4.382654
  Mo     -3.515848     -4.693959      3.778712
  N      -1.709785     -5.367588      4.454688
  C      -0.834019     -6.197863      3.626704
  C      -1.541263     -6.485719      2.312128
  H      -0.598207     -7.127912      4.172638
  H       0.121355     -5.688163      3.421500
  H      -1.187707     -7.426758      1.861178
  H      -1.347783     -5.674693      1.606685
  H      -4.834606     -8.289816      4.797475
  H      -3.380237     -7.462019      5.399318
  H      -4.060367     -8.385115      2.581012
  H      -2.495201     -8.440611      3.414362
  H      -2.661552     -5.063899      0.009589
  H      -4.378551     -4.637779      0.183200
  H      -3.546073     -7.189532      0.587818
  H      -4.860213     -6.465390      1.567886
  C      -2.601527     -2.923889      1.507169
  C      -2.308410     -2.464705      0.196351
  C      -1.811303     -1.191014      0.014325
  C      -1.620878     -0.314309      1.109575
  C      -1.881569     -0.741872      2.392962
  C      -2.324695     -2.067018      2.616454
  N      -2.612542     -2.600737      3.846340
  C      -2.096504     -2.068228      4.958339
  C      -0.799344     -1.480222      5.174210
  O      -0.456356     -0.801967      6.111490
  Cl      0.512698     -2.077974      3.998119
  C      -5.976568     -5.938068      4.831619
  C      -6.837926     -6.789625      5.556902
  C      -8.112540     -6.351178      5.880781
  C      -8.558424     -5.073971      5.489913
  C      -7.721409     -4.212970      4.794221
  C      -6.412084     -4.623206      4.478792
  N      -5.478586     -3.892670      3.766691
  C      -5.758139     -2.562146      3.517803
  C      -5.602968     -1.998612      2.243849
  O      -5.386884     -2.501303      1.152361
  Cl     -5.860249     -0.148170      2.317479
  C      -1.318038     -5.123128      5.735364
  C      -0.039793     -5.403091      6.274515
  C       0.251494     -5.029573      7.574155
  C      -0.711528     -4.363187      8.363598
  C      -1.976033     -4.108216      7.868735
  C      -2.317300     -4.521978      6.561477
  N      -3.537608     -4.321737      5.958834
  C      -4.640244     -4.004694      6.682357
  C      -4.984343     -4.621968      7.925096
  O      -4.469607     -5.531973      8.537048
  Cl     -6.543431     -3.864421      8.583950
  H      -2.518284     -3.095115     -0.665474
  H      -1.607174     -0.835441     -0.996962
  H      -1.302460      0.712753      0.931574
  H      -1.782133     -0.061827      3.239030
  H      -2.668033     -2.169066      5.878196
  H      -6.501097     -7.775219      5.875654
  H      -8.775813     -7.004124      6.449472
  H      -9.570597     -4.756006      5.741474
  H      -8.069456     -3.228017      4.484042
  H      -6.206990     -1.959797      4.308990
  H       0.724723     -5.867249      5.653090
  H       1.246803     -5.216341      7.979439
  H      -0.450790     -4.029043      9.368441
  H      -2.705483     -3.568418      8.470105
  H      -5.387329     -3.362836      6.229257
  N      -7.045109     -5.252415      1.160747
  H      -7.873306     -5.343365      0.567631
  H      -6.591572     -4.365851      0.908553
  H      -7.389475     -5.115933      2.113956
  N       0.848363     -4.135771      0.993264
  N       1.274591     -3.252630      0.489194
77
Coordinates from ORCA-job orca E -7409.262030608667
  N      -3.151779     -4.120735      1.821706
  C      -3.498004     -5.016938      0.722885
  C      -3.790902     -6.389630      1.301607
  N      -3.005316     -6.555730      2.552593
  C      -3.389805     -7.828295      3.247435
  C      -4.098343     -7.508506      4.562307
  N      -4.724772     -6.214012      4.380472
  Mo     -3.514483     -4.694997      3.776784
  N      -1.710204     -5.369604      4.454578
  C      -0.834496     -6.201055      3.627916
  C      -1.538004     -6.486623      2.311811
  H      -0.601407     -7.131366      4.174446
  H       0.122402     -5.692849      3.426047
  H      -1.184131     -7.427256      1.860592
  H      -1.344556     -5.674559      1.607608
  H      -4.836786     -8.289010      4.794135
  H      -3.381189     -7.464350      5.398054
  H      -4.059181     -8.384485      2.578770
  H      -2.494764     -8.440839      3.414345
  H      -2.661714     -5.058498      0.006612
  H      -4.380413     -4.639737      0.183618
  H      -3.536488     -7.188706      0.583955
  H      -4.854721     -6.469735      1.561337
  C      -2.603388     -2.922773      1.506607
  C      -2.311861     -2.461535      0.196382
  C      -1.815022     -1.187331      0.014950
  C      -1.624682     -0.311885      1.111619
  C      -1.884888     -0.741618      2.393846
  C      -2.327066     -2.067547      2.615822
  N      -2.613295     -2.603302      3.845454
  C      -2.094802     -2.072074      4.957164
  C      -0.798239     -1.483523      5.171858
  O      -0.453358     -0.805460      6.108396
  Cl      0.511586     -2.082206      3.992490
  C      -5.976438     -5.936079      4.831048
  C      -6.840688     -6.783793      5.557626
  C      -8.114422     -6.340590      5.881983
  C      -8.558053     -5.061994      5.490846
  C      -7.717915     -4.204509      4.794030
  C      -6.410508     -4.621783      4.478320
  N      -5.476394     -3.893440      3.766063
  C      -5.754818     -2.562353      3.518503
  C      -5.604807     -1.998179      2.244532
  O      -5.394897     -2.499943      1.151261
  Cl     -5.859779     -0.148079      2.321076
  C      -1.319154     -5.125416      5.735505
  C      -0.040799     -5.405354      6.275260
  C       0.250182     -5.030609      7.574356
  C      -0.713048     -4.363556      8.363100
  C      -1.977409     -4.109348      7.867915
  C      -2.318709     -4.524082      6.560769
  N      -3.538763     -4.323588      5.957826
  C      -4.641027     -4.005933      6.682302
  C      -4.984900     -4.623612      7.924651
  O      -4.471721     -5.534811      8.535849
  Cl     -6.542688     -3.862741      8.584876
  H      -2.520756     -3.091342     -0.665951
  H      -1.611245     -0.831366     -0.996179
  H      -1.306223      0.715728      0.935369
  H      -1.786966     -0.062039      3.240330
  H      -2.665058     -2.174517      5.877768
  H      -6.505898     -7.769552      5.878485
  H      -8.779736     -6.990801      6.451432
  H      -9.569232     -4.740216      5.741780
  H      -8.059859     -3.221381      4.482757
  H      -6.199161     -1.958886      4.311551
  H       0.723629     -5.870497      5.654485
  H       1.245098     -5.217029      7.980786
  H      -0.451461     -4.027889      9.367091
  H      -2.707249     -3.569402      8.468691
  H      -5.386158     -3.362065      6.228725
  N      -7.039738     -5.264890      1.162301
  H      -7.867842     -5.365774      0.571467
  H      -6.604218     -4.367768      0.917082
  H      -7.385624     -5.147819      2.117363
  N       0.844502     -4.124017      0.991192
  N       1.284108     -3.240396      0.499099
77
Coordinates from ORCA-job orca E -7409.262083558374
  N      -3.150264     -4.122375      1.818850
  C      -3.496171     -5.018077      0.719669
  C      -3.792067     -6.390725      1.297477
  N      -3.010761     -6.558016      2.550228
  C      -3.399868     -7.829021      3.243174
  C      -4.102460     -7.508206      4.560385
  N      -4.726858     -6.213210      4.378972
  Mo     -3.515282     -4.696946      3.773235
  N      -1.713862     -5.373656      4.451047
  C      -0.841174     -6.210420      3.626725
  C      -1.541346     -6.494222      2.309901
  H      -0.613515     -7.140591      4.175731
  H       0.119130     -5.707386      3.427097
  H      -1.190201     -7.436505      1.860338
  H      -1.346178     -5.683226      1.604754
  H      -4.842678     -8.286322      4.794547
  H      -3.381444     -7.466250      5.392894
  H      -4.075033     -8.379901      2.575960
  H      -2.508047     -8.447091      3.407086
  H      -2.658993     -5.058602      0.004735
  H      -4.377410     -4.640101      0.179501
  H      -3.537842     -7.189438      0.579921
  H      -4.856771     -6.468922      1.554478
  C      -2.601571     -2.923754      1.504924
  C      -2.308098     -2.461069      0.195662
  C      -1.810765     -1.186441      0.015165
  C      -1.623730     -0.311020      1.113001
  C      -1.886814     -0.742365      2.393301
  C      -2.327217     -2.069340      2.613497
  N      -2.614944     -2.604939      3.843149
  C      -2.102090     -2.072700      4.956414
  C      -0.811993     -1.473074      5.178505
  O      -0.479376     -0.792530      6.117596
  Cl      0.508389     -2.059809      4.007820
  C      -5.976522     -5.933118      4.830032
  C      -6.838644     -6.781534      5.557918
  C      -8.111245     -6.339526      5.884519
  C      -8.555527     -5.061523      5.494335
  C      -7.716414     -4.202444      4.796613
  C      -6.411245     -4.618950      4.478349
  N      -5.475675     -3.891996      3.765285
  C      -5.748832     -2.560318      3.520967
  C      -5.595366     -1.996164      2.247094
  O      -5.388251     -2.496542      1.151080
  Cl     -5.840426     -0.145080      2.325921
  C      -1.320769     -5.127383      5.731228
  C      -0.041100     -5.405691      6.269180
  C       0.252561     -5.026168      7.565980
  C      -0.709441     -4.356885      8.354559
  C      -1.974940     -4.105705      7.861475
  C      -2.318992     -4.524492      6.556080
  N      -3.540259     -4.325941      5.954859
  C      -4.640977     -4.007639      6.682720
  C      -4.981047     -4.626691      7.924941
  O      -4.467623     -5.538928      8.533643
  Cl     -6.536663     -3.862461      8.590614
  H      -2.513284     -3.090225     -0.667940
  H      -1.605079     -0.831328     -0.995733
  H      -1.304920      0.717214      0.939124
  H      -1.794805     -0.061917      3.239502
  H      -2.676282     -2.179320      5.874529
  H      -6.501182     -7.766242      5.880006
  H      -8.776097     -6.989523      6.454709
  H      -9.566528     -4.738937      5.745454
  H      -8.060704     -3.217005      4.482217
  H      -6.188448     -1.954072      4.314727
  H       0.721896     -5.874008      5.649095
  H       1.248042     -5.210684      7.971900
  H      -0.444271     -4.016839      9.355959
  H      -2.704518     -3.564916      8.461839
  H      -5.384381     -3.361206      6.229877
  N      -7.032332     -5.278539      1.169020
  H      -7.862492     -5.377415      0.581262
  H      -6.607262     -4.376560      0.926069
  H      -7.377871     -5.165354      2.124913
  N       0.845672     -4.112225      1.007521
  N       1.299634     -3.227948      0.530342
77
Coordinates from ORCA-job orca E -7409.262138829529
  N      -3.148864     -4.121243      1.818230
  C      -3.495832     -5.017968      0.719292
  C      -3.793191     -6.389693      1.297381
  N      -3.010705     -6.557577      2.549726
  C      -3.400001     -7.828272      3.243058
  C      -4.102642     -7.507133      4.560792
  N      -4.726408     -6.211682      4.379557
  Mo     -3.513762     -4.695694      3.773794
  N      -1.713490     -5.373451      4.451174
  C      -0.840649     -6.209042      3.625521
  C      -1.542190     -6.493581      2.308879
  H      -0.610595     -7.139147      4.173733
  H       0.118821     -5.704409      3.424997
  H      -1.191813     -7.436210      1.859317
  H      -1.348378     -5.683093      1.602963
  H      -4.842485     -8.285460      4.795239
  H      -3.380945     -7.464417      5.392764
  H      -4.074938     -8.380239      2.576238
  H      -2.507736     -8.445741      3.407519
  H      -2.658956     -5.060352      0.004147
  H      -4.377266     -4.641039      0.178703
  H      -3.542409     -7.188683      0.578783
  H      -4.857847     -6.465464      1.557057
  C      -2.599909     -2.923123      1.504175
  C      -2.306642     -2.462001      0.194395
  C      -1.807925     -1.188145      0.012355
  C      -1.618660     -0.312205      1.109987
  C      -1.881772     -0.742522      2.391219
  C      -2.323899     -2.068775      2.612426
  N      -2.611953     -2.603576      3.843049
  C      -2.100077     -2.071925      4.957007
  C      -0.810301     -1.472271      5.181696
  O      -0.479902     -0.792982      6.122706
  Cl      0.511813     -2.056454      4.013107
  C      -5.975851     -5.930857      4.830876
  C      -6.839440     -6.779510      5.557940
  C      -8.113644     -6.338351      5.881690
  C      -8.559138     -5.061424      5.488801
  C      -7.718757     -4.202350      4.793574
  C      -6.410104     -4.617206      4.479831
  N      -5.474183     -3.888993      3.766399
  C      -5.751119     -2.557689      3.518961
  C      -5.604803     -1.995574      2.243767
  O      -5.400542     -2.498662      1.149681
  Cl     -5.854650     -0.145174      2.320493
  C      -1.320374     -5.128155      5.731606
  C      -0.040583     -5.406481      6.268476
  C       0.253717     -5.028263      7.565388
  C      -0.708423     -4.360242      8.355093
  C      -1.974055     -4.109070      7.862832
  C      -2.318400     -4.526012      6.556942
  N      -3.539662     -4.326577      5.955853
  C      -4.640099     -4.007407      6.684411
  C      -4.980322     -4.628649      7.925269
  O      -4.467679     -5.542806      8.531910
  Cl     -6.534882     -3.861790      8.593294
  H      -2.513573     -3.091817     -0.668334
  H      -1.603357     -0.833854     -0.999097
  H      -1.298439      0.715583      0.935629
  H      -1.789340     -0.061609      3.236818
  H      -2.676389     -2.177667      5.874221
  H      -6.502742     -7.763978      5.881346
  H      -8.779072     -6.989013      6.450385
  H      -9.571267     -4.739797      5.736267
  H      -8.063924     -3.217911      4.474553
  H      -6.190494     -1.950715      4.312260
  H       0.722537     -5.874760      5.648461
  H       1.249512     -5.212947      7.970322
  H      -0.443009     -4.021300      9.356734
  H      -2.703750     -3.569389      8.464061
  H      -5.381915     -3.358257      6.232698
  N      -7.030997     -5.281152      1.175256
  H      -7.864620     -5.384946      0.592580
  H      -6.620890     -4.369466      0.939426
  H      -7.370076     -5.184685      2.134403
  N       0.841677     -4.103396      1.004715
  N       1.314717     -3.222584      0.540747
77
Coordinates from ORCA-job orca E -7409.262206748886
  N      -3.146305     -4.120838      1.816567
  C      -3.491921     -5.016607      0.717616
  C      -3.793895     -6.387012      1.293643
  N      -3.013251     -6.558121      2.546323
  C      -3.406751     -7.829349      3.238873
  C      -4.102414     -7.508090      4.560519
  N      -4.725059     -6.211456      4.382549
  Mo     -3.512951     -4.696445      3.773058
  N      -1.713283     -5.375352      4.448985
  C      -0.842327     -6.213885      3.623949
  C      -1.545192     -6.496693      2.308015
  H      -0.615959     -7.144579      4.172921
  H       0.119234     -5.713794      3.422540
  H      -1.197977     -7.440366      1.857773
  H      -1.348540     -5.686914      1.601584
  H      -4.840345     -8.286662      4.799623
  H      -3.375584     -7.463372      5.387959
  H      -4.087686     -8.376582      2.574119
  H      -2.516315     -8.451389      3.396744
  H      -2.653696     -5.063153      0.003769
  H      -4.370579     -4.638586      0.174551
  H      -3.543819     -7.185533      0.574132
  H      -4.860317     -6.459913      1.551602
  C      -2.598692     -2.922670      1.502612
  C      -2.304419     -2.461141      0.193202
  C      -1.806776     -1.186759      0.012424
  C      -1.617264     -0.310862      1.109547
  C      -1.881239     -0.741308      2.391095
  C      -2.323317     -2.067141      2.610990
  N      -2.612275     -2.600576      3.841315
  C      -2.105935     -2.069275      4.956880
  C      -0.818343     -1.464642      5.185434
  O      -0.496080     -0.784373      6.128916
  Cl      0.511255     -2.040445      4.024074
  C      -5.974322     -5.928243      4.833721
  C      -6.839732     -6.774958      5.562055
  C      -8.113461     -6.330604      5.884064
  C      -8.556118     -5.053105      5.488260
  C      -7.713757     -4.196970      4.793201
  C      -6.406591     -4.614481      4.482442
  N      -5.472959     -3.887932      3.765978
  C      -5.751035     -2.557325      3.513551
  C      -5.607371     -2.000103      2.236599
  O      -5.403227     -2.508826      1.146790
  Cl     -5.858651     -0.149285      2.305256
  C      -1.319653     -5.130194      5.729683
  C      -0.040433     -5.409823      6.265319
  C       0.255505     -5.032399      7.562309
  C      -0.705776     -4.363738      8.352865
  C      -1.971420     -4.111484      7.861471
  C      -2.316471     -4.527082      6.555450
  N      -3.538025     -4.327343      5.954822
  C      -4.638300     -4.007233      6.683691
  C      -4.977752     -4.631257      7.923313
  O      -4.464235     -5.547415      8.526888
  Cl     -6.531206     -3.863293      8.595256
  H      -2.511260     -3.089224     -0.670708
  H      -1.603398     -0.831454     -0.999029
  H      -1.297372      0.716857      0.935506
  H      -1.790124     -0.061174      3.237203
  H      -2.684755     -2.176152      5.872433
  H      -6.507089     -7.760177      5.887123
  H      -8.779907     -6.979595      6.453428
  H      -9.567402     -4.728863      5.735459
  H      -8.055725     -3.213415      4.471466
  H      -6.189638     -1.947852      4.305096
  H       0.722583     -5.879877      5.646402
  H       1.251775     -5.218415      7.965234
  H      -0.440197     -4.026023      9.354943
  H      -2.700897     -3.571847      8.463185
  H      -5.379386     -3.355369      6.234119
  N      -7.031642     -5.295405      1.184081
  H      -7.866688     -5.399055      0.602414
  H      -6.632610     -4.377843      0.954328
  H      -7.371348     -5.211839      2.146036
  N       0.844603     -4.087255      1.020455
  N       1.333571     -3.207524      0.571460
77
Coordinates from ORCA-job orca E -7409.262266784007
  N      -3.145402     -4.121324      1.816673
  C      -3.490073     -5.016592      0.717086
  C      -3.797107     -6.386274      1.291759
  N      -3.017950     -6.559462      2.545191
  C      -3.415179     -7.830238      3.237325
  C      -4.103935     -7.508058      4.562355
  N      -4.725225     -6.210538      4.386784
  Mo     -3.513233     -4.697032      3.773669
  N      -1.713761     -5.377601      4.447037
  C      -0.845083     -6.218269      3.622005
  C      -1.549903     -6.500689      2.307179
  H      -0.620211     -7.149082      4.171462
  H       0.117350     -5.720395      3.419294
  H      -1.204933     -7.445227      1.856770
  H      -1.351758     -5.692097      1.599606
  H      -4.841183     -8.286051      4.805369
  H      -3.372997     -7.462801      5.386088
  H      -4.101952     -8.372167      2.574575
  H      -2.527408     -8.457156      3.389617
  H      -2.650125     -5.065841      0.005056
  H      -4.366814     -4.636678      0.171620
  H      -3.548935     -7.186329      0.573359
  H      -4.864427     -6.455635      1.547065
  C      -2.598201     -2.923084      1.502405
  C      -2.304525     -2.461765      0.192838
  C      -1.807655     -1.187253      0.011606
  C      -1.617688     -0.310677      1.107696
  C      -1.880480     -0.740705      2.389884
  C      -2.322045     -2.066480      2.610278
  N      -2.611654     -2.598905      3.840670
  C      -2.112382     -2.066494      4.958325
  C      -0.829192     -1.453697      5.193366
  O      -0.517925     -0.772096      6.139796
  Cl      0.509388     -2.015834      4.039750
  C      -5.974827     -5.925841      4.835850
  C      -6.842486     -6.771560      5.562840
  C      -8.116869     -6.326178      5.881463
  C      -8.558544     -5.048857      5.483246
  C      -7.714315     -4.193533      4.789713
  C      -6.405662     -4.611934      4.482856
  N      -5.471106     -3.885971      3.766382
  C      -5.747945     -2.555991      3.511684
  C      -5.601146     -2.001742      2.233322
  O      -5.395671     -2.513822      1.144942
  Cl     -5.850949     -0.150063      2.296399
  C      -1.317579     -5.132226      5.727143
  C      -0.038116     -5.413479      6.260591
  C       0.260554     -5.036632      7.557460
  C      -0.698471     -4.366457      8.349344
  C      -1.964502     -4.112304      7.859699
  C      -2.312227     -4.527726      6.554253
  N      -3.534556     -4.327266      5.955469
  C      -4.633114     -4.005576      6.686317
  C      -4.971258     -4.631629      7.925073
  O      -4.459517     -5.551438      8.524414
  Cl     -6.523325     -3.863998      8.600604
  H      -2.511465     -3.089677     -0.671315
  H      -1.605081     -0.832326     -1.000153
  H      -1.297960      0.716740      0.933068
  H      -1.788398     -0.060502      3.236054
  H      -2.693679     -2.177680      5.871390
  H      -6.512302     -7.757181      5.889011
  H      -8.784503     -6.974769      6.449921
  H      -9.570582     -4.724530      5.727740
  H      -8.055082     -3.210927      4.464954
  H      -6.186941     -1.944850      4.301648
  H       0.723774     -5.884781      5.641277
  H       1.257408     -5.224078      7.958204
  H      -0.431146     -4.029447      9.351344
  H      -2.692564     -3.571693      8.462199
  H      -5.372986     -3.350541      6.239745
  N      -7.025429     -5.309547      1.187639
  H      -7.861588     -5.412922      0.606551
  H      -6.635961     -4.385742      0.964338
  H      -7.364986     -5.236574      2.150685
  N       0.839993     -4.069575      1.032951
  N       1.343798     -3.191123      0.597648
77
Coordinates from ORCA-job orca E -7409.262320569579
  N      -3.143754     -4.121782      1.816169
  C      -3.488008     -5.015398      0.715238
  C      -3.803242     -6.384260      1.288690
  N      -3.025583     -6.560826      2.542665
  C      -3.428466     -7.830687      3.233974
  C      -4.105692     -7.506608      4.563822
  N      -4.725724     -6.208280      4.391571
  Mo     -3.515163     -4.696969      3.773133
  N      -1.714870     -5.379128      4.442834
  C      -0.849752     -6.223711      3.618574
  C      -1.557223     -6.506843      2.305442
  H      -0.627106     -7.154225      4.169443
  H       0.113641     -5.728836      3.413425
  H      -1.214960     -7.452952      1.855957
  H      -1.355225     -5.700875      1.595710
  H      -4.841667     -8.283686      4.813647
  H      -3.368578     -7.460522      5.381868
  H      -4.124726     -8.363516      2.574215
  H      -2.545239     -8.465727      3.377330
  H      -2.645465     -5.068803      0.006266
  H      -4.360987     -4.630327      0.166581
  H      -3.558920     -7.187906      0.573070
  H      -4.871819     -6.448509      1.541232
  C      -2.593416     -2.924868      1.501521
  C      -2.297809     -2.464700      0.191822
  C      -1.800589     -1.190591      0.010323
  C      -1.611465     -0.312533      1.104445
  C      -1.875197     -0.740617      2.387021
  C      -2.317295     -2.065913      2.608644
  N      -2.610435     -2.595799      3.838598
  C      -2.122336     -2.060946      4.959171
  C      -0.846408     -1.434831      5.203934
  O      -0.552232     -0.752938      6.155952
  Cl      0.507316     -1.979850      4.065915
  C      -5.975113     -5.922156      4.839074
  C      -6.843138     -6.767412      5.565258
  C      -8.117195     -6.321772      5.882743
  C      -8.558261     -5.044781      5.483483
  C      -7.714048     -4.189504      4.789616
  C      -6.404719     -4.607511      4.483862
  N      -5.469989     -3.883055      3.765630
  C      -5.745108     -2.554136      3.509320
  C      -5.595345     -2.004224      2.228726
  O      -5.389283     -2.520565      1.141310
  Cl     -5.843398     -0.151605      2.283753
  C      -1.314978     -5.132072      5.721843
  C      -0.035469     -5.415211      6.253548
  C       0.265498     -5.039018      7.550716
  C      -0.691202     -4.367618      8.343791
  C      -1.957600     -4.110957      7.855491
  C      -2.307457     -4.525674      6.550393
  N      -3.530963     -4.326420      5.953814
  C      -4.629982     -4.009893      6.685907
  C      -4.964419     -4.640577      7.923227
  O      -4.443454     -5.554430      8.523509
  Cl     -6.514068     -3.878109      8.607305
  H      -2.504111     -3.092471     -0.672699
  H      -1.596564     -0.836833     -1.001576
  H      -1.291413      0.714296      0.928428
  H      -1.782195     -0.059717      3.232774
  H      -2.706511     -2.179986      5.868754
  H      -6.514447     -7.753643      5.890996
  H      -8.784734     -6.970412      6.451342
  H      -9.571044     -4.721662      5.727069
  H      -8.055851     -3.207211      4.463015
  H      -6.185117     -1.941876      4.297754
  H       0.725431     -5.887313      5.633700
  H       1.262769     -5.228418      7.949522
  H      -0.422858     -4.032103      9.346182
  H      -2.684388     -3.569529      8.458783
  H      -5.373830     -3.357753      6.241650
  N      -7.021052     -5.326297      1.192559
  H      -7.857990     -5.426231      0.611358
  H      -6.639327     -4.397036      0.977725
  H      -7.361102     -5.261862      2.156587
  N       0.831757     -4.049707      1.056106
  N       1.350749     -3.172048      0.636974
77
Coordinates from ORCA-job orca E -7409.262341693851
  N      -3.142152     -4.122053      1.816916
  C      -3.487140     -5.013896      0.714162
  C      -3.806337     -6.382649      1.286771
  N      -3.029698     -6.561538      2.541645
  C      -3.436054     -7.830661      3.232172
  C      -4.106374     -7.505269      4.564877
  N      -4.726231     -6.206784      4.394259
  Mo     -3.516056     -4.696818      3.773498
  N      -1.714666     -5.380507      4.440632
  C      -0.851948     -6.227408      3.616452
  C      -1.561103     -6.510997      2.304211
  H      -0.629901     -7.157660      4.167936
  H       0.111584     -5.733570      3.409716
  H      -1.220093     -7.457913      1.855504
  H      -1.356834     -5.706600      1.593528
  H      -4.841880     -8.281600      4.818638
  H      -3.365969     -7.459443      5.379909
  H      -4.138319     -8.357435      2.573982
  H      -2.555943     -8.471129      3.370522
  H      -2.643630     -5.068354      0.006614
  H      -4.358512     -4.624718      0.164960
  H      -3.563811     -7.188586      0.573128
  H      -4.875095     -6.444261      1.537687
  C      -2.589268     -2.926177      1.502252
  C      -2.293177     -2.467689      0.192041
  C      -1.795395     -1.194182      0.008848
  C      -1.606805     -0.314603      1.101584
  C      -1.871242     -0.740613      2.384608
  C      -2.313119     -2.065812      2.608534
  N      -2.607989     -2.594513      3.838618
  C      -2.125022     -2.058228      4.960307
  C      -0.853624     -1.423862      5.210309
  O      -0.571258     -0.735585      6.161500
  Cl      0.508770     -1.957376      4.080104
  C      -5.976121     -5.920057      4.840919
  C      -6.846047     -6.763749      5.566003
  C      -8.119929     -6.316318      5.882657
  C      -8.559728     -5.038669      5.483587
  C      -7.714091     -4.184614      4.789743
  C      -6.404155     -4.605123      4.484492
  N      -5.468487     -3.881855      3.765922
  C      -5.743426     -2.553250      3.509120
  C      -5.595140     -2.005609      2.227288
  O      -5.391439     -2.524000      1.139761
  Cl     -5.842140     -0.152973      2.278609
  C      -1.311940     -5.132792      5.718726
  C      -0.032101     -5.416914      6.249227
  C       0.270484     -5.040176      7.546146
  C      -0.684352     -4.367492      8.339787
  C      -1.951223     -4.109613      7.852639
  C      -2.302898     -4.525191      6.548450
  N      -3.527122     -4.326000      5.953559
  C      -4.625682     -4.010752      6.686694
  C      -4.959966     -4.643150      7.923285
  O      -4.445148     -5.565136      8.516414
  Cl     -6.523602     -3.901341      8.595302
  H      -2.499599     -3.096669     -0.671524
  H      -1.590385     -0.841977     -1.003407
  H      -1.287056      0.712086      0.923876
  H      -1.778473     -0.058125      3.229097
  H      -2.710020     -2.182403      5.868465
  H      -6.518926     -7.750645      5.891451
  H      -8.788347     -6.964392      6.450919
  H      -9.572771     -4.715647      5.726184
  H      -8.054212     -3.202865      4.463048
  H      -6.183446     -1.940880      4.297459
  H       0.727849     -5.889201      5.628359
  H       1.267991     -5.230600      7.943975
  H      -0.414945     -4.031938      9.341865
  H      -2.676843     -3.567014      8.456295
  H      -5.371225     -3.359884      6.243390
  N      -7.017633     -5.337892      1.196804
  H      -7.854837     -5.438261      0.616322
  H      -6.645065     -4.402447      0.992049
  H      -7.355457     -5.286624      2.161905
  N       0.819800     -4.032829      1.071281
  N       1.352230     -3.157009      0.664956
77
Coordinates from ORCA-job orca E -7409.262375325412
  N      -3.141855     -4.122592      1.817727
  C      -3.486943     -5.013548      0.713865
  C      -3.806007     -6.382462      1.285863
  N      -3.030024     -6.562101      2.541258
  C      -3.436894     -7.831287      3.230979
  C      -4.106584     -7.505905      4.563835
  N      -4.727310     -6.207851      4.392930
  Mo     -3.517121     -4.697700      3.773603
  N      -1.714533     -5.381922      4.440135
  C      -0.852199     -6.228978      3.615686
  C      -1.561436     -6.512418      2.303495
  H      -0.629788     -7.159158      4.167095
  H       0.111104     -5.734876      3.408633
  H      -1.220252     -7.459360      1.855166
  H      -1.356514     -5.708139      1.592984
  H      -4.842027     -8.282248      4.817920
  H      -3.366292     -7.460504      5.379014
  H      -4.140128     -8.356733      2.572559
  H      -2.557414     -8.472902      3.368899
  H      -2.643398     -5.066993      0.006603
  H      -4.357784     -4.622483      0.165620
  H      -3.562628     -7.188649      0.572742
  H      -4.874631     -6.444276      1.535869
  C      -2.589196     -2.926370      1.503502
  C      -2.293334     -2.467630      0.193192
  C      -1.795989     -1.193903      0.009864
  C      -1.608726     -0.314182      1.102813
  C      -1.873545     -0.740327      2.385494
  C      -2.313790     -2.066131      2.609836
  N      -2.607999     -2.595504      3.839935
  C      -2.124618     -2.058609      4.961029
  C      -0.854718     -1.420953      5.210496
  O      -0.575035     -0.729084      6.159845
  Cl      0.510059     -1.955063      4.082833
  C      -5.978333     -5.922274      4.838297
  C      -6.849156     -6.766140      5.561787
  C      -8.123178     -6.318466      5.878085
  C      -8.562045     -5.039976      5.480735
  C      -7.715611     -4.185926      4.787663
  C      -6.406153     -4.607331      4.481999
  N      -5.469281     -3.884023      3.765263
  C      -5.743986     -2.554921      3.508296
  C      -5.594953     -2.007475      2.226781
  O      -5.391318     -2.525742      1.139185
  Cl     -5.839713     -0.155013      2.278068
  C      -1.311285     -5.135335      5.718044
  C      -0.031406     -5.420101      6.248493
  C       0.271208     -5.043561      7.545373
  C      -0.683095     -4.370670      8.339226
  C      -1.949955     -4.112112      7.852212
  C      -2.301808     -4.527708      6.548270
  N      -3.525739     -4.326645      5.953682
  C      -4.622236     -4.006802      6.687577
  C      -4.955711     -4.632556      7.928001
  O      -4.438970     -5.549857      8.527008
  Cl     -6.505420     -3.872156      8.609643
  H      -2.499113     -3.097037     -0.670099
  H      -1.590410     -0.841654     -1.002262
  H      -1.290188      0.713024      0.924970
  H      -1.782566     -0.057138      3.229488
  H      -2.708658     -2.184112      5.869815
  H      -6.521790     -7.753196      5.886655
  H      -8.792284     -6.966636      6.445412
  H      -9.574956     -4.716891      5.723478
  H      -8.054551     -3.203568      4.463180
  H      -6.184236     -1.942598      4.296564
  H       0.728046     -5.892101      5.626749
  H       1.268532     -5.234613      7.943436
  H      -0.413504     -4.035126      9.341165
  H      -2.675254     -3.569198      8.456057
  H      -5.366406     -3.354155      6.244768
  N      -7.016048     -5.340396      1.194322
  H      -7.851986     -5.440908      0.612577
  H      -6.644379     -4.403546      0.994830
  H      -7.354357     -5.294355      2.159255
  N       0.812743     -4.027429      1.077425
  N       1.347147     -3.151209      0.674733
77
Coordinates from ORCA-job orca E -7409.262401527097
  N      -3.140856     -4.123509      1.818269
  C      -3.487237     -5.014081      0.714229
  C      -3.807157     -6.382190      1.286653
  N      -3.030636     -6.562873      2.541157
  C      -3.438134     -7.832044      3.230283
  C      -4.107388     -7.505850      4.562599
  N      -4.729021     -6.208288      4.390230
  Mo     -3.518909     -4.698552      3.773119
  N      -1.714329     -5.382748      4.439459
  C      -0.852537     -6.230381      3.614964
  C      -1.562441     -6.514590      2.303159
  H      -0.629413     -7.160021      4.166977
  H       0.110451     -5.736269      3.406393
  H      -1.221597     -7.462245      1.856206
  H      -1.356085     -5.711094      1.591962
  H      -4.842357     -8.282275      4.817925
  H      -3.367291     -7.459852      5.377963
  H      -4.142044     -8.356863      2.571818
  H      -2.559115     -8.474451      3.368263
  H      -2.643918     -5.068464      0.006977
  H      -4.356141     -4.619323      0.167476
  H      -3.564209     -7.188950      0.573921
  H      -4.876078     -6.443725      1.537684
  C      -2.587804     -2.927144      1.504326
  C      -2.290654     -2.467228      0.194218
  C      -1.793306     -1.193097      0.012539
  C      -1.607664     -0.314099      1.106351
  C      -1.873669     -0.741317      2.388022
  C      -2.313102     -2.067450      2.611328
  N      -2.607204     -2.596948      3.841260
  C      -2.122783     -2.058643      4.960820
  C      -0.854812     -1.415739      5.207078
  O      -0.575995     -0.723346      6.156131
  Cl      0.512930     -1.957042      4.084933
  C      -5.980037     -5.923899      4.836095
  C      -6.848007     -6.769505      5.560340
  C      -8.120767     -6.322991      5.880564
  C      -8.559027     -5.043998      5.486618
  C      -7.714909     -4.188919      4.791535
  C      -6.408588     -4.608381      4.480681
  N      -5.471348     -3.886212      3.763924
  C      -5.744074     -2.556096      3.505056
  C      -5.592346     -2.010513      2.223612
  O      -5.387933     -2.530039      1.137104
  Cl     -5.831373     -0.157748      2.272938
  C      -1.310975     -5.135523      5.716847
  C      -0.030917     -5.419317      6.247684
  C       0.271505     -5.040723      7.543760
  C      -0.682574     -4.366699      8.336805
  C      -1.949704     -4.109148      7.849787
  C      -2.301565     -4.527219      6.546852
  N      -3.525916     -4.327580      5.952105
  C      -4.623412     -4.008640      6.684520
  C      -4.958639     -4.631512      7.926315
  O      -4.439657     -5.545032      8.529859
  Cl     -6.506165     -3.867590      8.606772
  H      -2.495052     -3.095830     -0.669875
  H      -1.586257     -0.839790     -0.998921
  H      -1.289969      0.713594      0.929184
  H      -1.785093     -0.058014      3.232089
  H      -2.705006     -2.184436      5.871087
  H      -6.518039     -7.756463      5.882913
  H      -8.788721     -6.971590      6.448712
  H      -9.570733     -4.720813      5.733876
  H      -8.056139     -3.203590      4.471983
  H      -6.183542     -1.942324      4.292572
  H       0.727959     -5.891830      5.625570
  H       1.268783     -5.231213      7.942266
  H      -0.413028     -4.029095      9.337984
  H      -2.674457     -3.565064      8.453106
  H      -5.369919     -3.360092      6.239369
  N      -7.019809     -5.335210      1.191690
  H      -7.853682     -5.430993      0.606615
  H      -6.638654     -4.401912      0.995535
  H      -7.361720     -5.285639      2.155972
  N       0.805797     -4.029749      1.087001
  N       1.334299     -3.150451      0.684329
77
Coordinates from ORCA-job orca E -7409.262421862850
  N      -3.138383     -4.123820      1.817982
  C      -3.486642     -5.013805      0.712813
  C      -3.806826     -6.381596      1.284978
  N      -3.030569     -6.563420      2.539964
  C      -3.439691     -7.832350      3.228386
  C      -4.108302     -7.505620      4.561176
  N      -4.729950     -6.208043      4.388144
  Mo     -3.518336     -4.699236      3.772353
  N      -1.713039     -5.384216      4.438554
  C      -0.852141     -6.232709      3.613776
  C      -1.562451     -6.516704      2.301730
  H      -0.628810     -7.162219      4.165911
  H       0.110988     -5.738892      3.404663
  H      -1.222509     -7.464930      1.855384
  H      -1.355880     -5.713420      1.590585
  H      -4.843292     -8.281749      4.817405
  H      -3.367721     -7.459647      5.376098
  H      -4.144734     -8.355974      2.570148
  H      -2.561621     -8.476087      3.366281
  H      -2.643939     -5.068028      0.004810
  H      -4.356037     -4.616832      0.167479
  H      -3.563751     -7.187829      0.571713
  H      -4.875418     -6.442841      1.536653
  C      -2.585178     -2.927503      1.504876
  C      -2.288672     -2.468667      0.194482
  C      -1.791449     -1.194759      0.011054
  C      -1.605453     -0.315288      1.105063
  C      -1.871022     -0.742248      2.387223
  C      -2.310216     -2.068379      2.611643
  N      -2.604900     -2.597778      3.842484
  C      -2.122099     -2.057855      4.961707
  C      -0.857541     -1.408352      5.208838
  O      -0.584636     -0.708818      6.154138
  Cl      0.513978     -1.945991      4.089243
  C      -5.980760     -5.922662      4.835751
  C      -6.850380     -6.766125      5.560968
  C      -8.122631     -6.316468      5.882203
  C      -8.559274     -5.036372      5.488574
  C      -7.713555     -4.183646      4.792726
  C      -6.407862     -4.607300      4.480704
  N      -5.469486     -3.886922      3.763234
  C      -5.741857     -2.556265      3.502043
  C      -5.594048     -2.012476      2.219887
  O      -5.393732     -2.533864      1.133858
  Cl     -5.831011     -0.159616      2.267734
  C      -1.309725     -5.136812      5.715767
  C      -0.029557     -5.420293      6.246845
  C       0.272539     -5.041403      7.542691
  C      -0.681836     -4.367641      8.335761
  C      -1.949029     -4.110580      7.848746
  C      -2.300468     -4.528454      6.545631
  N      -3.525187     -4.329998      5.950715
  C      -4.624062     -4.014708      6.682746
  C      -4.958362     -4.638265      7.924396
  O      -4.434686     -5.547850      8.530055
  Cl     -6.508366     -3.878273      8.603679
  H      -2.493282     -3.098896     -0.668374
  H      -1.584902     -0.842209     -1.000739
  H      -1.288075      0.712443      0.927444
  H      -1.783730     -0.057648      3.230394
  H      -2.704887     -2.184550      5.871629
  H      -6.521682     -7.753486      5.883677
  H      -8.791769     -6.963555      6.450662
  H      -9.569878     -4.710626      5.736969
  H      -8.051803     -3.198085      4.474626
  H      -6.177858     -1.940611      4.290017
  H       0.728881     -5.893468      5.624702
  H       1.269633     -5.231798      7.941737
  H      -0.412274     -4.029694      9.336801
  H      -2.673957     -3.567055      8.452328
  H      -5.373447     -3.370456      6.235843
  N      -7.019772     -5.339510      1.195201
  H      -7.853882     -5.436580      0.610834
  H      -6.644097     -4.401773      1.008647
  H      -7.358007     -5.304413      2.160697
  N       0.792952     -4.016328      1.097627
  N       1.331501     -3.138582      0.704347
77
Coordinates from ORCA-job orca E -7409.262438744745
  N      -3.137156     -4.124462      1.817510
  C      -3.486170     -5.014133      0.712265
  C      -3.807789     -6.381501      1.284263
  N      -3.031550     -6.564014      2.539101
  C      -3.441656     -7.832860      3.227346
  C      -4.109426     -7.505770      4.560454
  N      -4.730814     -6.208040      4.387137
  Mo     -3.518721     -4.699796      3.771611
  N      -1.712446     -5.385280      4.436954
  C      -0.852662     -6.234791      3.612360
  C      -1.563474     -6.518634      2.300694
  H      -0.630172     -7.164293      4.164857
  H       0.111012     -5.742216      3.402658
  H      -1.224895     -7.467628      1.854865
  H      -1.356128     -5.715833      1.589155
  H      -4.844116     -8.281865      4.817567
  H      -3.368237     -7.459156      5.374771
  H      -4.147457     -8.355797      2.569517
  H      -2.564080     -8.477293      3.364666
  H      -2.643332     -5.069372      0.004319
  H      -4.355005     -4.615387      0.167106
  H      -3.565002     -7.187560      0.570726
  H      -4.876512     -6.442355      1.535904
  C      -2.583456     -2.928340      1.504817
  C      -2.286712     -2.469528      0.194521
  C      -1.790326     -1.195396      0.011043
  C      -1.605278     -0.315638      1.104928
  C      -1.870969     -0.742661      2.387128
  C      -2.309037     -2.069050      2.611616
  N      -2.604864     -2.598005      3.842684
  C      -2.126770     -2.056571      4.962876
  C      -0.865267     -1.401979      5.213891
  O      -0.599114     -0.697775      6.157468
  Cl      0.511868     -1.934986      4.099261
  C      -5.981431     -5.922455      4.834900
  C      -6.850657     -6.765723      5.560838
  C      -8.122222     -6.315234      5.883420
  C      -8.558199     -5.034742      5.490417
  C      -7.712989     -4.182514      4.793284
  C      -6.408335     -4.606967      4.479625
  N      -5.469349     -3.887707      3.762067
  C      -5.740206     -2.557065      3.498995
  C      -5.592290     -2.015341      2.215982
  O      -5.392726     -2.538623      1.130531
  Cl     -5.826867     -0.161862      2.261259
  C      -1.308575     -5.138297      5.713945
  C      -0.028402     -5.422835      6.244494
  C       0.274434     -5.044818      7.540437
  C      -0.679305     -4.370750      8.334167
  C      -1.946416     -4.112524      7.847538
  C      -2.298330     -4.529416      6.544233
  N      -3.523084     -4.330154      5.949753
  C      -4.620373     -4.012127      6.682823
  C      -4.952713     -4.632148      7.926682
  O      -4.431211     -5.543978      8.530801
  Cl     -6.505208     -3.874438      8.602727
  H      -2.490703     -3.100015     -0.668339
  H      -1.584005     -0.842787     -1.000762
  H      -1.288641      0.712214      0.927289
  H      -1.784717     -0.057536      3.230004
  H      -2.711794     -2.184905      5.871048
  H      -6.522074     -7.753199      5.883224
  H      -8.791211     -6.961727      6.452728
  H      -9.567897     -4.707716      5.740914
  H      -8.051110     -3.196331      4.476792
  H      -6.173805     -1.939520      4.286794
  H       0.729195     -5.896853      5.621966
  H       1.271478     -5.236148      7.939159
  H      -0.409315     -4.033786      9.335470
  H      -2.671075     -3.569379      8.451890
  H      -5.369573     -3.367609      6.236177
  N      -7.020719     -5.342119      1.194871
  H      -7.853811     -5.436968      0.608751
  H      -6.643610     -4.404179      1.013589
  H      -7.359824     -5.311799      2.160367
  N       0.786050     -4.009427      1.109325
  N       1.327422     -3.131002      0.721311
77
Coordinates from ORCA-job orca E -7409.262453415055
  N      -3.136013     -4.125202      1.816929
  C      -3.485784     -5.014667      0.711910
  C      -3.808646     -6.381859      1.283476
  N      -3.032350     -6.565134      2.538191
  C      -3.443434     -7.833955      3.226263
  C      -4.111888     -7.506867      4.559227
  N      -4.731982     -6.208417      4.385877
  Mo     -3.518384     -4.700944      3.770857
  N      -1.711513     -5.387243      4.435478
  C      -0.853061     -6.238306      3.611350
  C      -1.564150     -6.521360      2.299794
  H      -0.632492     -7.168071      4.164228
  H       0.111777     -5.748020      3.401675
  H      -1.227757     -7.471313      1.854298
  H      -1.356132     -5.718947      1.588031
  H      -4.846933     -8.282727      4.815800
  H      -3.370749     -7.460174      5.373579
  H      -4.148777     -8.357108      2.568266
  H      -2.565938     -8.478300      3.364040
  H      -2.643092     -5.070896      0.003687
  H      -4.354612     -4.615066      0.167009
  H      -3.566139     -7.186939      0.568738
  H      -4.877307     -6.442592      1.535180
  C      -2.582940     -2.928790      1.504996
  C      -2.286996     -2.469509      0.194847
  C      -1.791914     -1.195012      0.011338
  C      -1.607362     -0.315261      1.105216
  C      -1.872274     -0.742806      2.387636
  C      -2.308953     -2.069549      2.611938
  N      -2.604586     -2.598776      3.843349
  C      -2.131195     -2.056126      4.964711
  C      -0.873632     -1.394838      5.219673
  O      -0.612945     -0.691835      6.165440
  Cl      0.510462     -1.926222      4.113160
  C      -5.982063     -5.921690      4.834198
  C      -6.851618     -6.763930      5.561246
  C      -8.122294     -6.311508      5.885055
  C      -8.557175     -5.030481      5.492149
  C      -7.712030     -4.179515      4.793472
  C      -6.408110     -4.605986      4.478589
  N      -5.468107     -3.888315      3.760951
  C      -5.736610     -2.557805      3.495305
  C      -5.588969     -2.018856      2.211007
  O      -5.390741     -2.544602      1.126201
  Cl     -5.821071     -0.164509      2.253055
  C      -1.307049     -5.139789      5.712106
  C      -0.026532     -5.424726      6.241644
  C       0.278145     -5.045474      7.536789
  C      -0.674268     -4.369070      8.330448
  C      -1.941651     -4.110725      7.844825
  C      -2.295618     -4.529833      6.542632
  N      -3.521182     -4.331959      5.949050
  C      -4.617557     -4.012200      6.683020
  C      -4.950160     -4.632402      7.926595
  O      -4.432128     -5.547855      8.527958
  Cl     -6.503026     -3.873735      8.601789
  H      -2.490751     -3.100149     -0.668016
  H      -1.586788     -0.842042     -1.000579
  H      -1.291509      0.712780      0.927893
  H      -1.786048     -0.057540      3.230394
  H      -2.717976     -2.187577      5.871193
  H      -6.524288     -7.751736      5.883750
  H      -8.791473     -6.956780      6.455533
  H      -9.565636     -4.701127      5.744696
  H      -8.049225     -3.192934      4.478025
  H      -6.166175     -1.937254      4.282973
  H       0.730011     -5.900429      5.619123
  H       1.275550     -5.236679      7.934629
  H      -0.402715     -4.030911      9.330972
  H      -2.665115     -3.566159      8.449238
  H      -5.365797     -3.366710      6.236464
  N      -7.021874     -5.344887      1.194103
  H      -7.853500     -5.437047      0.605566
  H      -6.643090     -4.406451      1.019635
  H      -7.361628     -5.322132      2.159416
  N       0.779683     -4.001744      1.124609
  N       1.325937     -3.123174      0.743634
77
Coordinates from ORCA-job orca E -7409.262465041862
  N      -3.134758     -4.126546      1.815812
  C      -3.485545     -5.016072      0.711997
  C      -3.810026     -6.383018      1.283765
  N      -3.033179     -6.566682      2.537732
  C      -3.444502     -7.835421      3.226151
  C      -4.115268     -7.508195      4.557912
  N      -4.733450     -6.208812      4.384099
  Mo     -3.518138     -4.702338      3.769528
  N      -1.710679     -5.388863      4.433768
  C      -0.853323     -6.241221      3.610246
  C      -1.564825     -6.523951      2.299068
  H      -0.634741     -7.171140      4.163749
  H       0.112682     -5.753451      3.400460
  H      -1.230606     -7.474868      1.853988
  H      -1.356678     -5.722023      1.586686
  H      -4.851232     -8.283615      4.812867
  H      -3.375125     -7.461580      5.373182
  H      -4.147914     -8.360162      2.567433
  H      -2.566428     -8.478516      3.365700
  H      -2.643169     -5.074165      0.003424
  H      -4.353980     -4.616054      0.167296
  H      -3.568414     -7.187125      0.567607
  H      -4.878675     -6.443648      1.536110
  C      -2.581338     -2.930109      1.504555
  C      -2.285879     -2.469230      0.194702
  C      -1.792171     -1.194052      0.012512
  C      -1.607045     -0.315379      1.106770
  C      -1.870950     -0.744242      2.388967
  C      -2.307723     -2.070961      2.611995
  N      -2.604700     -2.599853      3.843154
  C      -2.136810     -2.056193      4.965902
  C      -0.882698     -1.389518      5.225207
  O      -0.629187     -0.680166      6.167970
  Cl      0.506734     -1.911835      4.120847
  C      -5.982354     -5.920451      4.833406
  C      -6.850675     -6.762063      5.562656
  C      -8.119558     -6.308126      5.889576
  C      -8.553417     -5.026794      5.497359
  C      -7.709853     -4.176723      4.795528
  C      -6.407740     -4.604106      4.477527
  N      -5.467210     -3.888692      3.759012
  C      -5.732070     -2.558303      3.490367
  C      -5.584267     -2.023309      2.204313
  O      -5.387245     -2.552087      1.120314
  Cl     -5.813296     -0.167949      2.241766
  C      -1.306130     -5.140686      5.710242
  C      -0.025445     -5.425671      6.239321
  C       0.280303     -5.045449      7.533968
  C      -0.671641     -4.367741      8.327411
  C      -1.939197     -4.109772      7.842316
  C      -2.294215     -4.530288      6.540724
  N      -3.520456     -4.334589      5.947668
  C      -4.616829     -4.015449      6.682405
  C      -4.948066     -4.636982      7.925532
  O      -4.429079     -5.552277      8.525950
  Cl     -6.500341     -3.877807      8.603021
  H      -2.489429     -3.098810     -0.669020
  H      -1.588443     -0.839809     -0.999253
  H      -1.291501      0.712883      0.930533
  H      -1.783981     -0.059575      3.232121
  H      -2.726348     -2.189531      5.870169
  H      -6.524051     -7.750146      5.884898
  H      -8.787981     -6.952123      6.462386
  H      -9.560210     -4.695048      5.753540
  H      -8.047661     -3.188937      4.481475
  H      -6.156648     -1.933788      4.277646
  H       0.730736     -5.902412      5.617163
  H       1.277954     -5.236219      7.931334
  H      -0.399220     -4.028857      9.327481
  H      -2.662137     -3.564532      8.446721
  H      -5.365546     -3.370556      6.235866
  N      -7.026060     -5.344430      1.191665
  H      -7.854883     -5.430911      0.598579
  H      -6.640011     -4.408150      1.023264
  H      -7.369258     -5.325271      2.156062
  N       0.773587     -3.994292      1.139673
  N       1.319695     -3.113644      0.763675
77
Coordinates from ORCA-job orca E -7409.262477112540
  N      -3.133885     -4.126788      1.815009
  C      -3.485045     -5.016269      0.711513
  C      -3.810022     -6.383331      1.283509
  N      -3.033078     -6.567266      2.537412
  C      -3.444629     -7.835757      3.226098
  C      -4.116745     -7.508425      4.557229
  N      -4.733568     -6.208409      4.383613
  Mo     -3.517065     -4.702510      3.768843
  N      -1.709562     -5.389193      4.432709
  C      -0.853025     -6.242923      3.609650
  C      -1.564536     -6.525420      2.298445
  H      -0.636082     -7.173004      4.163582
  H       0.113851     -5.756833      3.400211
  H      -1.231348     -7.476743      1.853544
  H      -1.356239     -5.723796      1.585822
  H      -4.853887     -8.283212      4.810655
  H      -3.377434     -7.462852      5.373327
  H      -4.146956     -8.361152      2.566656
  H      -2.566379     -8.478390      3.366843
  H      -2.642992     -5.074988      0.002679
  H      -4.353715     -4.616735      0.166795
  H      -3.569211     -7.187140      0.566729
  H      -4.878444     -6.443641      1.536349
  C      -2.580772     -2.930327      1.503741
  C      -2.286320     -2.469784      0.193544
  C      -1.793257     -1.194489      0.010489
  C      -1.607746     -0.315394      1.104280
  C      -1.871052     -0.743721      2.386831
  C      -2.307433     -2.070480      2.610739
  N      -2.604253     -2.599037      3.842090
  C      -2.138438     -2.054381      4.965089
  C      -0.887155     -1.382878      5.225758
  O      -0.636919     -0.675248      6.170719
  Cl      0.506513     -1.903730      4.126579
  C      -5.982074     -5.918811      4.833272
  C      -6.851095     -6.759224      5.563110
  C      -8.119346     -6.303775      5.890523
  C      -8.552373     -5.022157      5.498113
  C      -7.708448     -4.173267      4.795353
  C      -6.406398     -4.602244      4.477193
  N      -5.465649     -3.887866      3.758179
  C      -5.730060     -2.557611      3.488105
  C      -5.585140     -2.024854      2.201009
  O      -5.390052     -2.555160      1.117435
  Cl     -5.815323     -0.169580      2.235751
  C      -1.305040     -5.141215      5.709382
  C      -0.024546     -5.426495      6.238652
  C       0.280680     -5.047431      7.533856
  C      -0.671898     -4.371135      8.327709
  C      -1.939312     -4.112982      7.842381
  C      -2.293529     -4.531668      6.540011
  N      -3.519695     -4.336165      5.947109
  C      -4.615938     -4.018340      6.683023
  C      -4.943702     -4.640528      7.926608
  O      -4.421223     -5.553643      8.527116
  Cl     -6.495490     -3.882870      8.607935
  H      -2.490418     -3.099854     -0.669673
  H      -1.590518     -0.840567     -1.001601
  H      -1.292665      0.713016      0.927687
  H      -1.783914     -0.058449      3.229411
  H      -2.728353     -2.189591      5.868830
  H      -6.525815     -7.747626      5.885797
  H      -8.787990     -6.946912      6.464051
  H      -9.558771     -4.689303      5.754399
  H      -8.045325     -3.185543      4.480598
  H      -6.152420     -1.931510      4.275341
  H       0.732210     -5.902557      5.616665
  H       1.278140     -5.238557      7.931512
  H      -0.399925     -4.033587      9.328329
  H      -2.663000     -3.569012      8.447201
  H      -5.365607     -3.373681      6.237595
  N      -7.027755     -5.346135      1.191670
  H      -7.855292     -5.430200      0.596690
  H      -6.641160     -4.408996      1.029069
  H      -7.370919     -5.334180      2.155917
  N       0.770625     -3.986995      1.149878
  N       1.321442     -3.106971      0.779252
77
Coordinates from ORCA-job orca E -7409.262489473045
  N      -3.133666     -4.127468      1.815245
  C      -3.484834     -5.016867      0.712006
  C      -3.809835     -6.384165      1.284325
  N      -3.032775     -6.568335      2.538167
  C      -3.443986     -7.836554      3.227270
  C      -4.118634     -7.509165      4.557102
  N      -4.733721     -6.208436      4.383775
  Mo     -3.515743     -4.703067      3.769103
  N      -1.708580     -5.390041      4.432489
  C      -0.852609     -6.244931      3.609789
  C      -1.564094     -6.527023      2.298526
  H      -0.637202     -7.175190      4.164055
  H       0.114981     -5.760144      3.400988
  H      -1.231156     -7.478270      1.853394
  H      -1.355925     -5.725417      1.585933
  H      -4.857921     -8.282897      4.807663
  H      -3.381343     -7.465998      5.375184
  H      -4.144226     -8.363190      2.566428
  H      -2.565306     -8.478177      3.370216
  H      -2.643099     -5.075793      0.002956
  H      -4.353932     -4.618506      0.167257
  H      -3.570168     -7.188255      0.567460
  H      -4.878023     -6.443803      1.537552
  C      -2.581356     -2.930732      1.503591
  C      -2.288657     -2.470340      0.192810
  C      -1.796265     -1.194872      0.008877
  C      -1.610282     -0.315349      1.102196
  C      -1.872704     -0.743045      2.385027
  C      -2.307955     -2.070138      2.610173
  N      -2.603555     -2.598989      3.841515
  C      -2.137704     -2.054917      4.964816
  C      -0.888076     -1.380807      5.226111
  O      -0.640058     -0.674430      6.172790
  Cl      0.507625     -1.897453      4.128090
  C      -5.982231     -5.917600      4.832894
  C      -6.852676     -6.756870      5.562179
  C      -8.120638     -6.300182      5.889020
  C      -8.552478     -5.018158      5.496541
  C      -7.707380     -4.170236      4.794068
  C      -6.405015     -4.600554      4.476801
  N      -5.463840     -3.886689      3.758239
  C      -5.728002     -2.556205      3.487952
  C      -5.585527     -2.025044      2.200152
  O      -5.391645     -2.556075      1.116725
  Cl     -5.817204     -0.170165      2.232810
  C      -1.303490     -5.141945      5.709131
  C      -0.022848     -5.426603      6.238106
  C       0.282403     -5.047043      7.533276
  C      -0.670136     -4.371009      8.327050
  C      -1.937806     -4.113424      7.841936
  C      -2.292338     -4.532971      6.540012
  N      -3.518839     -4.338233      5.947714
  C      -4.615042     -4.021276      6.684546
  C      -4.942371     -4.646186      7.926851
  O      -4.419301     -5.559316      8.526775
  Cl     -6.491107     -3.886446      8.613387
  H      -2.493934     -3.100676     -0.669887
  H      -1.594702     -0.841158     -1.003539
  H      -1.296166      0.713365      0.925069
  H      -1.785714     -0.057050      3.226958
  H      -2.726617     -2.193080      5.868910
  H      -6.528973     -7.745722      5.885209
  H      -8.789967     -6.942789      6.462349
  H      -9.559129     -4.685003      5.751349
  H      -8.042899     -3.182668      4.477964
  H      -6.149693     -1.929518      4.275055
  H       0.734523     -5.901683      5.616085
  H       1.279979     -5.237851      7.930811
  H      -0.397937     -4.032872      9.327375
  H      -2.661497     -3.569040      8.446376
  H      -5.364480     -3.375254      6.240677
  N      -7.029139     -5.345805      1.189779
  H      -7.854397     -5.426155      0.591407
  H      -6.640605     -4.408317      1.033664
  H      -7.373712     -5.340807      2.153271
  N       0.769633     -3.980514      1.158061
  N       1.323810     -3.100885      0.791535
77
Coordinates from ORCA-job orca E -7409.262501667034
  N      -3.134038     -4.128663      1.815570
  C      -3.485400     -5.018530      0.713179
  C      -3.809647     -6.385733      1.286541
  N      -3.031830     -6.569396      2.539806
  C      -3.441709     -7.837290      3.229881
  C      -4.120432     -7.509635      4.557490
  N      -4.733700     -6.208307      4.383712
  Mo     -3.514165     -4.703553      3.769494
  N      -1.707421     -5.390294      4.432501
  C      -0.851740     -6.246125      3.610148
  C      -1.563173     -6.527920      2.298980
  H      -0.637661     -7.176371      4.164955
  H       0.116433     -5.762349      3.401959
  H      -1.229782     -7.478785      1.853442
  H      -1.355630     -5.726051      1.586494
  H      -4.862342     -8.282114      4.804417
  H      -3.386282     -7.469292      5.378559
  H      -4.138415     -8.366728      2.567424
  H      -2.561943     -8.476605      3.376457
  H      -2.644171     -5.077526      0.003605
  H      -4.355300     -4.622008      0.168655
  H      -3.571377     -7.190583      0.570100
  H      -4.877589     -6.444599      1.540713
  C      -2.582478     -2.931723      1.502751
  C      -2.291408     -2.471449      0.191337
  C      -1.799580     -1.195774      0.006773
  C      -1.612929     -0.315920      1.099718
  C      -1.874346     -0.743106      2.382660
  C      -2.308788     -2.070384      2.608817
  N      -2.603580     -2.599015      3.840043
  C      -2.137748     -2.054798      4.963323
  C      -0.889777     -1.377920      5.224384
  O      -0.643615     -0.672274      6.172280
  Cl      0.506940     -1.889869      4.126018
  C      -5.982044     -5.916246      4.832443
  C      -6.853254     -6.754810      5.561342
  C      -8.120909     -6.297491      5.887929
  C      -8.551673     -5.015172      5.495489
  C      -7.705657     -4.167771      4.793446
  C      -6.403532     -4.598585      4.476572
  N      -5.462104     -3.885187      3.758571
  C      -5.725481     -2.554146      3.488985
  C      -5.584429     -2.024141      2.200658
  O      -5.391162     -2.555557      1.117153
  Cl     -5.816657     -0.169559      2.231744
  C      -1.301868     -5.142409      5.709215
  C      -0.021171     -5.426394      6.238071
  C       0.283486     -5.047328      7.533644
  C      -0.669478     -4.372749      8.327725
  C      -1.937321     -4.115595      7.842547
  C      -2.291359     -4.534562      6.540407
  N      -3.517950     -4.339852      5.948392
  C      -4.614166     -4.024258      6.686078
  C      -4.940565     -4.651631      7.927304
  O      -4.416781     -5.564979      8.526312
  Cl     -6.489036     -3.893551      8.616734
  H      -2.498013     -3.101680     -0.671082
  H      -1.599020     -0.842181     -1.005883
  H      -1.299483      0.712965      0.922070
  H      -1.787447     -0.056586      3.224184
  H      -2.725673     -2.194993      5.867802
  H      -6.530360     -7.743925      5.884496
  H      -8.790722     -6.939786      6.461034
  H      -9.558704     -4.682137      5.748931
  H      -8.040297     -3.180107      4.476036
  H      -6.147094     -1.927326      4.275965
  H       0.736957     -5.900040      5.615863
  H       1.281063     -5.238015      7.931271
  H      -0.397628     -4.034924      9.328235
  H      -2.661580     -3.571834      8.446915
  H      -5.363913     -3.377398      6.243866
  N      -7.031733     -5.342098      1.185857
  H      -7.853254     -5.416257      0.581860
  H      -6.637342     -4.406042      1.036457
  H      -7.380755     -5.341789      2.147686
  N       0.769641     -3.976160      1.163928
  N       1.323179     -3.095504      0.799085
77
Coordinates from ORCA-job orca E -7409.262514366678
  N      -3.134173     -4.130471      1.816237
  C      -3.486188     -5.021002      0.714395
  C      -3.810125     -6.387563      1.289182
  N      -3.030918     -6.570882      2.541493
  C      -3.439573     -7.838407      3.232631
  C      -4.122633     -7.510191      4.557899
  N      -4.733932     -6.208187      4.383298
  Mo     -3.512418     -4.704388      3.770265
  N      -1.706159     -5.391016      4.432527
  C      -0.850927     -6.247836      3.610321
  C      -1.562616     -6.529255      2.299269
  H      -0.637898     -7.177970      4.165679
  H       0.117672     -5.764742      3.402383
  H      -1.228579     -7.479632      1.853120
  H      -1.355582     -5.726958      1.587077
  H      -4.867083     -8.281386      4.801468
  H      -3.391828     -7.472628      5.382100
  H      -4.132549     -8.371076      2.568815
  H      -2.558631     -8.475135      3.383160
  H      -2.645419     -5.080359      0.004288
  H      -4.356813     -4.625756      0.170028
  H      -3.574183     -7.193811      0.573610
  H      -4.877785     -6.444610      1.545205
  C      -2.583284     -2.933513      1.501996
  C      -2.293608     -2.474385      0.189866
  C      -1.802169     -1.198794      0.003832
  C      -1.615271     -0.317869      1.096100
  C      -1.875958     -0.743883      2.379510
  C      -2.309152     -2.071342      2.607342
  N      -2.603122     -2.599579      3.838901
  C      -2.138303     -2.055085      4.962462
  C      -0.892682     -1.374261      5.224675
  O      -0.651068     -0.667295      6.172929
  Cl      0.506166     -1.878271      4.126662
  C      -5.982141     -5.914947      4.831691
  C      -6.854458     -6.753233      5.559508
  C      -8.122231     -6.295592      5.885087
  C      -8.551799     -5.012885      5.492571
  C      -7.704182     -4.165634      4.792403
  C      -6.402117     -4.596579      4.476567
  N      -5.460138     -3.883307      3.759620
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  C      -5.583568     -2.021615      2.203365
  O      -5.390891     -2.553172      1.119912
  Cl     -5.816253     -0.167285      2.234028
  C      -1.299541     -5.142962      5.709055
  C      -0.018546     -5.426020      6.237230
  C       0.286219     -5.046854      7.532855
  C      -0.666646     -4.373160      8.327422
  C      -1.934926     -4.116603      7.842666
  C      -2.289071     -4.535675      6.540697
  N      -3.516149     -4.341465      5.949250
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  C      -4.938368     -4.656777      7.927793
  O      -4.414494     -5.571044      8.525494
  Cl     -6.487710     -3.901290      8.618247
  H      -2.501819     -3.105123     -0.671785
  H      -1.602438     -0.845904     -1.009221
  H      -1.302472      0.710996      0.917254
  H      -1.789714     -0.056352      3.220300
  H      -2.725748     -2.197979      5.866849
  H      -6.532166     -7.742612      5.882484
  H      -8.792937     -6.937894      6.457112
  H      -9.559424     -4.680235      5.744149
  H      -8.037715     -3.177870      4.473727
  H      -6.145334     -1.925608      4.278919
  H       0.739703     -5.898960      5.614627
  H       1.284075     -5.237199      7.929986
  H      -0.394812     -4.035223      9.327899
  H      -2.659458     -3.573339      8.447142
  H      -5.362677     -3.380071      6.246937
  N      -7.034648     -5.336415      1.181466
  H      -7.851669     -5.401332      0.570525
  H      -6.632905     -4.401890      1.042335
  H      -7.389563     -5.343706      2.141097
  N       0.768355     -3.970387      1.172054
  N       1.322646     -3.088954      0.810173
77
Coordinates from ORCA-job orca E -7409.262527350208
  N      -3.135544     -4.132558      1.817139
  C      -3.488140     -5.024168      0.716079
  C      -3.811039     -6.389877      1.292491
  N      -3.029791     -6.572118      2.543570
  C      -3.436538     -7.839412      3.235898
  C      -4.124083     -7.510696      4.558790
  N      -4.734219     -6.208367      4.382722
  Mo     -3.511257     -4.705265      3.771410
  N      -1.705420     -5.391167      4.433170
  C      -0.850028     -6.248117      3.610878
  C      -1.561988     -6.529360      2.300011
  H      -0.636969     -7.177927      4.166687
  H       0.118417     -5.764733      3.402881
  H      -1.226671     -7.478958      1.853058
  H      -1.355872     -5.726287      1.588383
  H      -4.870129     -8.281211      4.799741
  H      -3.396431     -7.474767      5.385870
  H      -4.125683     -8.375968      2.571268
  H      -2.554016     -8.472933      3.390349
  H      -2.647763     -5.083173      0.005463
  H      -4.359639     -4.630301      0.172075
  H      -3.577041     -7.197668      0.578123
  H      -4.878282     -6.445384      1.550688
  C      -2.585196     -2.935619      1.501184
  C      -2.296097     -2.477557      0.188626
  C      -1.804554     -1.202180      0.001534
  C      -1.617640     -0.320360      1.093279
  C      -1.877981     -0.745486      2.376983
  C      -2.310466     -2.072941      2.605839
  N      -2.603531     -2.600643      3.837848
  C      -2.138978     -2.055234      4.961066
  C      -0.894699     -1.371628      5.223035
  O      -0.655487     -0.663755      6.171289
  Cl      0.504616     -1.871187      4.124730
  C      -5.982436     -5.914686      4.830841
  C      -6.855507     -6.753613      5.557085
  C      -8.123939     -6.296669      5.881094
  C      -8.553051     -5.013793      5.488506
  C      -7.703962     -4.165623      4.791308
  C      -6.401721     -4.595800      4.476771
  N      -5.459029     -3.881856      3.761455
  C      -5.721054     -2.549273      3.496898
  C      -5.579928     -2.017126      2.209519
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  Cl     -5.810850     -0.162722      2.242696
  C      -1.297876     -5.142656      5.709457
  C      -0.016457     -5.424740      6.236919
  C       0.288586     -5.045379      7.532459
  C      -0.664228     -4.372497      8.327607
  C      -1.932992     -4.116721      7.843371
  C      -2.287201     -4.535779      6.541480
  N      -3.514744     -4.342057      5.950380
  C      -4.610850     -4.029289      6.689154
  C      -4.936461     -4.659357      7.929119
  O      -4.412142     -5.574012      8.525992
  Cl     -6.488154     -3.907643      8.618027
  H      -2.505355     -3.108589     -0.672561
  H      -1.604903     -0.849961     -1.011743
  H      -1.304860      0.708278      0.913354
  H      -1.792024     -0.057455      3.217435
  H      -2.725887     -2.199046      5.865579
  H      -6.532833     -7.742984      5.879644
  H      -8.795547     -6.939571      6.451357
  H      -9.561460     -4.682071      5.738208
  H      -8.037103     -3.177720      4.471826
  H      -6.145037     -1.925427      4.284861
  H       0.741458     -5.897528      5.613813
  H       1.286822     -5.235099      7.928974
  H      -0.392464     -4.034534      9.328106
  H      -2.657843     -3.574336      8.448233
  H      -5.362338     -3.382902      6.249138
  N      -7.036467     -5.328148      1.175469
  H      -7.848511     -5.382930      0.556960
  H      -6.625788     -4.396322      1.044997
  H      -7.399773     -5.338922      2.131955
  N       0.768797     -3.970156      1.173491
  N       1.320007     -3.087174      0.810727
77
Coordinates from ORCA-job orca E -7409.262540236405
  N      -3.136376     -4.134643      1.817658
  C      -3.489748     -5.026882      0.716766
  C      -3.812701     -6.391644      1.294475
  N      -3.029457     -6.573408      2.544415
  C      -3.435282     -7.840571      3.237454
  C      -4.125217     -7.511351      4.559124
  N      -4.734933     -6.208864      4.381752
  Mo     -3.510985     -4.706419      3.772282
  N      -1.705083     -5.391625      4.433223
  C      -0.849782     -6.248660      3.610705
  C      -1.562213     -6.529911      2.300047
  H      -0.636387     -7.178173      4.166816
  H       0.118389     -5.764949      3.401973
  H      -1.226230     -7.479058      1.852487
  H      -1.356374     -5.726250      1.588924
  H      -4.871351     -8.281901      4.799571
  H      -3.398902     -7.475172      5.387386
  H      -4.122584     -8.379487      2.572909
  H      -2.551787     -8.472190      3.393861
  H      -2.649434     -5.085936      0.006029
  H      -4.361372     -4.632916      0.172741
  H      -3.580590     -7.200663      0.580964
  H      -4.879457     -6.445507      1.555208
  C      -2.585375     -2.938211      1.500786
  C      -2.295315     -2.481728      0.188131
  C      -1.803117     -1.206844     -0.000065
  C      -1.616833     -0.323889      1.090997
  C      -1.878013     -0.747810      2.375083
  C      -2.310465     -2.075007      2.604811
  N      -2.603807     -2.601742      3.837516
  C      -2.141051     -2.054948      4.960552
  C      -0.898694     -1.367469      5.223459
  O      -0.663732     -0.657253      6.170991
  Cl      0.502898     -1.863192      4.127711
  C      -5.983290     -5.915262      4.829844
  C      -6.857171     -6.755171      5.554265
  C      -8.126276     -6.298803      5.876718
  C      -8.554964     -5.015594      5.484416
  C      -7.704419     -4.166324      4.790460
  C      -6.402101     -4.596043      4.477155
  N      -5.458827     -3.881167      3.763354
  C      -5.720631     -2.548105      3.502375
  C      -5.578476     -2.012544      2.216544
  O      -5.385442     -2.541657      1.131905
  Cl     -5.807588     -0.158104      2.253713
  C      -1.296436     -5.142079      5.709056
  C      -0.014364     -5.423215      6.235403
  C       0.291860     -5.042845      7.530365
  C      -0.660452     -4.369748      8.326020
  C      -1.929870     -4.114947      7.842811
  C      -2.284927     -4.534983      6.541504
  N      -3.513240     -4.342469      5.950977
  C      -4.609180     -4.030727      6.690022
  C      -4.934094     -4.659874      7.930722
  O      -4.408630     -5.574102      8.527378
  Cl     -6.487537     -3.910694      8.617635
  H      -2.504701     -3.113471     -0.672530
  H      -1.602619     -0.855652     -1.013516
  H      -1.303634      0.704355      0.909919
  H      -1.792732     -0.059079      3.215037
  H      -2.728388     -2.199500      5.864588
  H      -6.534232     -7.744673      5.876040
  H      -8.798908     -6.942419      6.444953
  H      -9.563810     -4.684325      5.732997
  H      -8.037062     -3.178409      4.471180
  H      -6.146047     -1.926875      4.291653
  H       0.742602     -5.896847      5.611797
  H       1.290690     -5.231680      7.925810
  H      -0.388211     -4.031191      9.326207
  H      -2.654541     -3.573000      8.448244
  H      -5.362119     -3.386099      6.249940
  N      -7.037933     -5.321488      1.171235
  H      -7.845606     -5.365056      0.546020
  H      -6.619556     -4.391650      1.051094
  H      -7.409816     -5.337817      2.124565
  N       0.766823     -3.969357      1.177407
  N       1.317304     -3.085511      0.815500
77
Coordinates from ORCA-job orca E -7409.262551872927
  N      -3.138662     -4.136058      1.818345
  C      -3.492308     -5.029133      0.717951
  C      -3.814501     -6.393308      1.296682
  N      -3.029066     -6.574033      2.545635
  C      -3.433479     -7.841183      3.239332
  C      -4.124961     -7.511676      4.560287
  N      -4.735525     -6.209554      4.381364
  Mo     -3.511639     -4.707078      3.773612
  N      -1.705446     -5.390947      4.434230
  C      -0.849404     -6.246887      3.611295
  C      -1.562223     -6.528922      2.300844
  H      -0.634185     -7.175938      4.167432
  H       0.117798     -5.761722      3.401611
  H      -1.225331     -7.477635      1.852966
  H      -1.357183     -5.724803      1.590054
  H      -4.869845     -8.283141      4.801331
  H      -3.398956     -7.473379      5.388740
  H      -4.119652     -8.382154      2.575337
  H      -2.548952     -8.471056      3.396815
  H      -2.651970     -5.087619      0.007219
  H      -4.364092     -4.635522      0.173822
  H      -3.583499     -7.202927      0.583546
  H      -4.880605     -6.446710      1.559952
  C      -2.587177     -2.940056      1.500770
  C      -2.295876     -2.484656      0.188188
  C      -1.802821     -1.210218     -0.000647
  C      -1.617372     -0.326392      1.089824
  C      -1.879369     -0.749528      2.374146
  C      -2.311753     -2.076583      2.604273
  N      -2.604385     -2.602735      3.837768
  C      -2.140688     -2.055095      4.959921
  C      -0.897393     -1.368284      5.221652
  O      -0.661580     -0.656934      6.168026
  Cl      0.503424     -1.867172      4.126601
  C      -5.984365     -5.917061      4.829061
  C      -6.858734     -6.758738      5.551176
  C      -8.129059     -6.304059      5.871604
  C      -8.558613     -5.020978      5.479692
  C      -7.707322     -4.169536      4.789303
  C      -6.403779     -4.597911      4.477736
  N      -5.459805     -3.880990      3.765772
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  C      -5.574515     -2.006956      2.225351
  O      -5.380663     -2.533562      1.139360
  Cl     -5.799396     -0.152395      2.268930
  C      -1.296363     -5.140000      5.709681
  C      -0.013568     -5.419901      6.235237
  C       0.293559     -5.038447      7.529584
  C      -0.658799     -4.365437      8.325544
  C      -1.928782     -4.112029      7.843185
  C      -2.284358     -4.532921      6.542290
  N      -3.513205     -4.341839      5.952022
  C      -4.609309     -4.031588      6.691042
  C      -4.932945     -4.659014      7.933117
  O      -4.404918     -5.571231      8.530594
  Cl     -6.488723     -3.913130      8.617327
  H      -2.504421     -3.117038     -0.672253
  H      -1.601098     -0.859937     -1.014164
  H      -1.303739      0.701546      0.907932
  H      -1.794365     -0.060446      3.213815
  H      -2.727885     -2.197980      5.864272
  H      -6.534973     -7.748203      5.872110
  H      -8.802432     -6.949101      6.437352
  H      -9.568190     -4.690868      5.726878
  H      -8.040875     -3.181511      4.470358
  H      -6.148656     -1.929294      4.299658
  H       0.742687     -5.894172      5.611270
  H       1.292895     -5.226013      7.924321
  H      -0.386215     -4.026283      9.325440
  H      -2.653438     -3.570775      8.449245
  H      -5.364071     -3.389806      6.249945
  N      -7.036794     -5.313538      1.166413
  H      -7.840782     -5.347433      0.535547
  H      -6.611417     -4.386065      1.052098
  H      -7.417699     -5.328398      2.116108
  N       0.769279     -3.976720      1.170830
  N       1.315640     -3.092074      0.804647
77
Coordinates from ORCA-job orca E -7409.262562531468
  N      -3.139522     -4.137203      1.818207
  C      -3.493377     -5.030214      0.717866
  C      -3.816178     -6.394189      1.296986
  N      -3.029806     -6.574940      2.545461
  C      -3.434270     -7.842065      3.239287
  C      -4.124933     -7.512245      4.560637
  N      -4.736593     -6.210528      4.380894
  Mo     -3.513013     -4.708088      3.773983
  N      -1.705723     -5.390946      4.433702
  C      -0.849834     -6.246615      3.610603
  C      -1.563068     -6.529541      2.300513
  H      -0.633829     -7.175462      4.166811
  H       0.117027     -5.761307      3.399656
  H      -1.226571     -7.478512      1.852896
  H      -1.358060     -5.725605      1.589466
  H      -4.868106     -8.284654      4.803563
  H      -3.397588     -7.471062      5.387769
  H      -4.121429     -8.382723      2.576049
  H      -2.549804     -8.472260      3.395852
  H      -2.652803     -5.089211      0.007462
  H      -4.364452     -4.635829      0.173070
  H      -3.585680     -7.203523      0.583373
  H      -4.881719     -6.447700      1.562070
  C      -2.586207     -2.942018      1.501135
  C      -2.292839     -2.487235      0.188824
  C      -1.798928     -1.213128     -0.000043
  C      -1.614094     -0.328927      1.089988
  C      -1.877414     -0.751546      2.374337
  C      -2.310928     -2.078147      2.604394
  N      -2.605021     -2.603196      3.838209
  C      -2.142861     -2.054429      4.960059
  C      -0.900584     -1.365381      5.221991
  O      -0.666395     -0.652588      6.167542
  Cl      0.502243     -1.865815      4.130222
  C      -5.985909     -5.918841      4.828225
  C      -6.860756     -6.761249      5.548997
  C      -8.131119     -6.306485      5.869010
  C      -8.560263     -5.022944      5.478248
  C      -7.708509     -4.170820      4.789087
  C      -6.405328     -4.599685      4.477815
  N      -5.461291     -3.881919      3.766869
  C      -5.722375     -2.548525      3.512638
  C      -5.574743     -2.004473      2.230448
  O      -5.382062     -2.529585      1.143817
  Cl     -5.796600     -0.150103      2.278296
  C      -1.296088     -5.138572      5.708687
  C      -0.012543     -5.417314      6.233310
  C       0.295807     -5.034429      7.526907
  C      -0.656364     -4.361007      8.322997
  C      -1.926951     -4.108985      7.841690
  C      -2.283585     -4.531504      6.541603
  N      -3.513112     -4.342228      5.951993
  C      -4.609068     -4.032619      6.691486
  C      -4.931086     -4.658622      7.934854
  O      -4.400617     -5.568903      8.533090
  Cl     -6.486815     -3.913447      8.619165
  H      -2.499744     -3.120083     -0.671679
  H      -1.595697     -0.863544     -1.013516
  H      -1.299808      0.698780      0.907922
  H      -1.792614     -0.062089      3.213692
  H      -2.730571     -2.197099      5.864115
  H      -6.537521     -7.751170      5.869016
  H      -8.805135     -6.951914      6.433589
  H      -9.569574     -4.692239      5.725741
  H      -8.041712     -3.182822      4.471753
  H      -6.150011     -1.931744      4.304413
  H       0.743216     -5.892052      5.609087
  H       1.295619     -5.220830      7.920945
  H      -0.382935     -4.020802      9.322308
  H      -2.651221     -3.567726      8.448211
  H      -5.365177     -3.393019      6.249599
  N      -7.036135     -5.311149      1.163886
  H      -7.836457     -5.334639      0.527667
  H      -6.605026     -4.385125      1.058224
  H      -7.426262     -5.329304      2.110224
  N       0.766478     -3.978039      1.173046
  N       1.312113     -3.092781      0.807213
77
Coordinates from ORCA-job orca E -7409.262572055143
  N      -3.140852     -4.136977      1.818357
  C      -3.494513     -5.030147      0.718440
  C      -3.817046     -6.394429      1.297703
  N      -3.030103     -6.574984      2.546066
  C      -3.434230     -7.842045      3.240092
  C      -4.123827     -7.512032      4.561955
  N      -4.737026     -6.211001      4.381659
  Mo     -3.514316     -4.707988      3.774743
  N      -1.705998     -5.389840      4.434035
  C      -0.849650     -6.244444      3.610678
  C      -1.563239     -6.529014      2.300943
  H      -0.631847     -7.173018      4.166698
  H       0.116471     -5.758128      3.398851
  H      -1.226929     -7.478398      1.854172
  H      -1.358967     -5.725772      1.589023
  H      -4.865522     -8.285332      4.806348
  H      -3.395166     -7.468235      5.387769
  H      -4.122266     -8.382183      2.577254
  H      -2.549909     -8.472697      3.395815
  H      -2.653925     -5.089678      0.008136
  H      -4.365302     -4.636220      0.172855
  H      -3.586678     -7.202949      0.583080
  H      -4.882126     -6.449057      1.564046
  C      -2.586678     -2.942280      1.501759
  C      -2.292720     -2.487638      0.189384
  C      -1.798396     -1.213670      0.000403
  C      -1.613470     -0.329344      1.090167
  C      -1.876864     -0.751774      2.374602
  C      -2.310876     -2.078228      2.604889
  N      -2.605041     -2.602916      3.838863
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  C      -0.897462     -1.368397      5.221163
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  Cl      0.504016     -1.874098      4.128786
  C      -5.986981     -5.920408      4.828063
  C      -6.862023     -6.763413      5.547818
  C      -8.132707     -6.309167      5.867471
  C      -8.562405     -5.025674      5.477494
  C      -7.710953     -4.172873      4.788603
  C      -6.406890     -4.601492      4.477908
  N      -5.462784     -3.882567      3.767704
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  C      -5.574917     -2.003012      2.233204
  O      -5.382801     -2.526771      1.145754
  Cl     -5.794233     -0.148981      2.283977
  C      -1.296537     -5.136661      5.708844
  C      -0.012544     -5.414177      6.233211
  C       0.295865     -5.030779      7.526604
  C      -0.656898     -4.358082      8.322711
  C      -1.927763     -4.107284      7.841752
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  N      -3.514194     -4.342194      5.952508
  C      -4.610387     -4.033423      6.692302
  C      -4.931242     -4.659666      7.935867
  O      -4.398856     -5.568344      8.534756
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  H      -2.498348     -3.120988     -0.671067
  H      -1.594641     -0.864561     -1.013151
  H      -1.299066      0.698393      0.908201
  H      -1.791577     -0.062056      3.213661
  H      -2.729033     -2.195618      5.864809
  H      -6.539268     -7.753644      5.867387
  H      -8.806746     -6.955210      6.431354
  H      -9.571858     -4.695130      5.724599
  H      -8.044853     -3.184737      4.472018
  H      -6.151744     -1.932905      4.306693
  H       0.743739     -5.887993      5.608909
  H       1.295811     -5.216204      7.920722
  H      -0.383184     -4.017424      9.321780
  H      -2.652129     -3.566342      8.448463
  H      -5.367133     -3.395005      6.249824
  N      -7.033401     -5.308864      1.161785
  H      -7.831356     -5.326046      0.522142
  H      -6.598817     -4.383863      1.059595
  H      -7.429695     -5.324912      2.105461
  N       0.768196     -3.983587      1.166949
  N       1.311919     -3.098399      0.798125
77
Coordinates from ORCA-job orca E -7409.262579455413
  N      -3.141547     -4.136603      1.818485
  C      -3.495025     -5.029898      0.719219
  C      -3.817264     -6.394529      1.298625
  N      -3.030337     -6.575120      2.546931
  C      -3.434374     -7.842033      3.241206
  C      -4.123216     -7.511740      4.563280
  N      -4.737388     -6.211246      4.382680
  Mo     -3.515210     -4.707835      3.775209
  N      -1.705788     -5.388966      4.433938
  C      -0.849314     -6.243036      3.610526
  C      -1.563242     -6.529212      2.301296
  H      -0.630374     -7.171388      4.166537
  H       0.116454     -5.756263      3.398144
  H      -1.227327     -7.479229      1.855710
  H      -1.359682     -5.727017      1.588046
  H      -4.864535     -8.285231      4.808259
  H      -3.393920     -7.466826      5.388434
  H      -4.122867     -8.381561      2.578257
  H      -2.550394     -8.473277      3.396624
  H      -2.654629     -5.090483      0.008771
  H      -4.365676     -4.636873      0.172856
  H      -3.586943     -7.202231      0.583010
  H      -4.882094     -6.450359      1.565554
  C      -2.587100     -2.942125      1.502194
  C      -2.293630     -2.487216      0.189557
  C      -1.799495     -1.213156      0.000541
  C      -1.613894     -0.328997      1.090268
  C      -1.876532     -0.751548      2.374713
  C      -2.310810     -2.077950      2.605304
  N      -2.605033     -2.602484      3.839037
  C      -2.140662     -2.054642      4.960546
  C      -0.895666     -1.370713      5.220799
  O      -0.655607     -0.659181      6.165708
  Cl      0.504823     -1.879214      4.126940
  C      -5.987770     -5.921020      4.828081
  C      -6.862867     -6.763673      5.547828
  C      -8.133196     -6.308958      5.868099
  C      -8.562528     -5.025257      5.478821
  C      -7.711419     -4.173002      4.788620
  C      -6.407582     -4.602112      4.477541
  N      -5.463596     -3.883227      3.767615
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  C      -5.575773     -2.003603      2.232750
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  Cl     -5.793468     -0.149869      2.283537
  C      -1.296444     -5.135501      5.708660
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  C       0.295605     -5.028574      7.526611
  C      -0.657888     -4.357104      8.322781
  C      -1.928882     -4.107195      7.841788
  C      -2.285268     -4.530209      6.541764
  N      -3.514981     -4.342853      5.952698
  C      -4.611391     -4.034839      6.693006
  C      -4.931320     -4.662781      7.935785
  O      -4.398140     -5.571116      8.534460
  Cl     -6.486944     -3.919884      8.623342
  H      -2.498654     -3.120797     -0.670850
  H      -1.596116     -0.864158     -1.013142
  H      -1.299694      0.698908      0.908664
  H      -1.790462     -0.061690      3.213573
  H      -2.727980     -2.195409      5.865312
  H      -6.541123     -7.754292      5.867304
  H      -8.807053     -6.954807      6.432430
  H      -9.571735     -4.694154      5.726150
  H      -8.045093     -3.184609      4.472885
  H      -6.151337     -1.932645      4.306174
  H       0.745010     -5.884179      5.608746
  H       1.295527     -5.213352      7.921088
  H      -0.384201     -4.016401      9.321834
  H      -2.653654     -3.566707      8.448455
  H      -5.368235     -3.396336      6.250812
  N      -7.030678     -5.308192      1.159255
  H      -7.824972     -5.318457      0.514803
  H      -6.591589     -4.384568      1.062224
  H      -7.434053     -5.323902      2.100068
  N       0.768784     -3.985280      1.164434
  N       1.311004     -3.099765      0.794226
77
Coordinates from ORCA-job orca E -7409.262583904682
  N      -3.141925     -4.135966      1.818826
  C      -3.495344     -5.029545      0.719924
  C      -3.817088     -6.394293      1.299501
  N      -3.030112     -6.574812      2.547780
  C      -3.433841     -7.841684      3.242277
  C      -4.122506     -7.511300      4.564383
  N      -4.737328     -6.211219      4.383680
  Mo     -3.515590     -4.707329      3.775690
  N      -1.705657     -5.388112      4.434171
  C      -0.848707     -6.241271      3.610419
  C      -1.563014     -6.528675      2.301610
  H      -0.628223     -7.169363      4.166259
  H       0.116423     -5.753304      3.397771
  H      -1.226883     -7.479004      1.856900
  H      -1.360279     -5.727240      1.587311
  H      -4.863920     -8.284755      4.809400
  H      -3.393285     -7.466475      5.389580
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  H      -2.549911     -8.472961      3.397897
  H      -2.655156     -5.090774      0.009241
  H      -4.366188     -4.637504      0.173089
  H      -3.586915     -7.201769      0.583552
  H      -4.881871     -6.450720      1.566576
  C      -2.587578     -2.941529      1.502449
  C      -2.294923     -2.486560      0.189562
  C      -1.800702     -1.212587      0.000374
  C      -1.613891     -0.328754      1.090329
  C      -1.875679     -0.751418      2.374839
  C      -2.310681     -2.077623      2.605672
  N      -2.604968     -2.602208      3.839103
  C      -2.139565     -2.055081      4.960750
  C      -0.893270     -1.373933      5.220467
  O      -0.650266     -0.663886      6.165740
  Cl      0.505054     -1.883748      4.123470
  C      -5.987968     -5.921242      4.828488
  C      -6.862998     -6.763554      5.548566
  C      -8.133356     -6.308793      5.869121
  C      -8.562797     -5.025104      5.479807
  C      -7.711922     -4.173379      4.788734
  C      -6.407871     -4.602437      4.477473
  N      -5.463939     -3.883599      3.767530
  C      -5.725142     -2.549834      3.513482
  C      -5.577552     -2.004345      2.231843
  O      -5.386955     -2.527802      1.143844
  Cl     -5.795712     -0.150772      2.282002
  C      -1.296450     -5.134975      5.708929
  C      -0.012305     -5.410826      6.233516
  C       0.294823     -5.027952      7.527408
  C      -0.659199     -4.357556      8.323715
  C      -1.930167     -4.107956      7.842442
  C      -2.285957     -4.530442      6.542079
  N      -3.515505     -4.343016      5.952964
  C      -4.612092     -4.035043      6.693312
  C      -4.932493     -4.664582      7.934953
  O      -4.400396     -5.573998      8.532983
  Cl     -6.488157     -3.921845      8.623429
  H      -2.500531     -3.120232     -0.670626
  H      -1.597996     -0.863526     -1.013416
  H      -1.299402      0.699112      0.908979
  H      -1.788484     -0.061760      3.213781
  H      -2.726815     -2.195174      5.865693
  H      -6.541551     -7.754188      5.868337
  H      -8.806839     -6.954579      6.433954
  H      -9.572033     -4.694068      5.727086
  H      -8.045372     -3.184814      4.473159
  H      -6.151568     -1.932393      4.305421
  H       0.745715     -5.881856      5.609193
  H       1.294706     -5.212437      7.922146
  H      -0.385863     -4.017162      9.322967
  H      -2.655407     -3.567924      8.448953
  H      -5.368275     -3.395386      6.251668
  N      -7.028334     -5.307552      1.157776
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  H      -6.587002     -4.384624      1.063439
  H      -7.435127     -5.322547      2.096958
  N       0.769672     -3.986314      1.159647
  N       1.310958     -3.100944      0.787728
77
Coordinates from ORCA-job orca E -7409.262586927686
  N      -3.141965     -4.135637      1.818984
  C      -3.495279     -5.029510      0.720378
  C      -3.816776     -6.394124      1.300156
  N      -3.029825     -6.574618      2.548317
  C      -3.433501     -7.841486      3.242938
  C      -4.122301     -7.511067      4.564918
  N      -4.737301     -6.211179      4.384165
  Mo     -3.515742     -4.707058      3.775789
  N      -1.705553     -5.387678      4.434219
  C      -0.848260     -6.240363      3.610312
  C      -1.562771     -6.528599      2.301844
  H      -0.626832     -7.168203      4.166183
  H       0.116459     -5.751530      3.397573
  H      -1.226521     -7.479274      1.857940
  H      -1.360263     -5.727880      1.586641
  H      -4.864013     -8.284335      4.809841
  H      -3.393442     -7.466856      5.390460
  H      -4.121572     -8.381180      2.579696
  H      -2.549525     -8.472606      3.398911
  H      -2.655196     -5.091182      0.009538
  H      -4.366212     -4.638102      0.173238
  H      -3.586741     -7.201733      0.584300
  H      -4.881665     -6.450635      1.567085
  C      -2.588345     -2.940979      1.502267
  C      -2.296613     -2.485914      0.189236
  C      -1.802579     -1.211935     -0.000044
  C      -1.615175     -0.328292      1.090126
  C      -1.876360     -0.751068      2.374650
  C      -2.311232     -2.077337      2.605624
  N      -2.605073     -2.602234      3.838830
  C      -2.139289     -2.055592      4.960764
  C      -0.892120     -1.376483      5.220721
  O      -0.647586     -0.667370      6.166299
  Cl      0.505085     -1.886935      4.122095
  C      -5.987869     -5.921064      4.828906
  C      -6.862548     -6.762924      5.549849
  C      -8.132624     -6.307845      5.871138
  C      -8.561855     -5.024069      5.481674
  C      -7.711238     -4.173078      4.789513
  C      -6.407750     -4.602259      4.477423
  N      -5.463919     -3.884030      3.767124
  C      -5.724925     -2.549968      3.512552
  C      -5.578382     -2.005398      2.230579
  O      -5.388107     -2.529144      1.142612
  Cl     -5.796927     -0.151712      2.279681
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  C      -0.012477     -5.410538      6.233950
  C       0.293948     -5.028133      7.528160
  C      -0.660446     -4.358457      8.324555
  C      -1.931303     -4.108875      7.842876
  C      -2.286367     -4.530688      6.542096
  N      -3.515728     -4.343168      5.952732
  C      -4.612538     -4.035263      6.692913
  C      -4.933344     -4.665827      7.933733
  O      -4.402213     -5.576202      8.531184
  Cl     -6.489494     -3.923386      8.622366
  H      -2.503099     -3.119506     -0.670798
  H      -1.600674     -0.862613     -1.013891
  H      -1.300704      0.699582      0.908884
  H      -1.788725     -0.061634      3.213741
  H      -2.726899     -2.195152      5.865529
  H      -6.541085     -7.753447      5.869968
  H      -8.805674     -6.953300      6.436836
  H      -9.570825     -4.692796      5.729707
  H      -8.044103     -3.184252      4.474293
  H      -6.150488     -1.932065      4.304536
  H       0.745969     -5.881030      5.609742
  H       1.293792     -5.212529      7.923063
  H      -0.387645     -4.018513      9.324106
  H      -2.657079     -3.569337      8.449188
  H      -5.368248     -3.394638      6.251824
  N      -7.026382     -5.307111      1.156119
  H      -7.815197     -5.309976      0.504829
  H      -6.581832     -4.385290      1.065508
  H      -7.437443     -5.322205      2.093560
  N       0.771222     -3.986113      1.157431
  N       1.311849     -3.100674      0.784706
77
Coordinates from ORCA-job orca E -7409.262589311829
  N      -3.142136     -4.135167      1.819076
  C      -3.495121     -5.029270      0.720332
  C      -3.816474     -6.393746      1.300128
  N      -3.029611     -6.574081      2.548399
  C      -3.433061     -7.841117      3.242968
  C      -4.121881     -7.510994      4.565041
  N      -4.737247     -6.211325      4.384442
  Mo     -3.516152     -4.706710      3.775779
  N      -1.706042     -5.387212      4.434462
  C      -0.848006     -6.238798      3.610094
  C      -1.562711     -6.527704      2.301864
  H      -0.625031     -7.166368      4.165753
  H       0.115906     -5.748383      3.397211
  H      -1.226003     -7.478456      1.858422
  H      -1.360500     -5.727386      1.586120
  H      -4.863464     -8.284395      4.810074
  H      -3.393198     -7.467200      5.390775
  H      -4.120998     -8.381038      2.579819
  H      -2.548865     -8.471918      3.398949
  H      -2.654866     -5.090750      0.009636
  H      -4.366082     -4.638166      0.172919
  H      -3.586281     -7.201671      0.584678
  H      -4.881521     -6.450113      1.566532
  C      -2.588736     -2.940381      1.502205
  C      -2.297269     -2.485182      0.189284
  C      -1.802693     -1.211410      0.000244
  C      -1.614255     -0.328355      1.090876
  C      -1.875361     -0.751364      2.375335
  C      -2.311402     -2.077345      2.605891
  N      -2.605549     -2.602470      3.838811
  C      -2.139054     -2.056246      4.960845
  C      -0.890551     -1.379758      5.220496
  O      -0.643585     -0.672261      6.166666
  Cl      0.504340     -1.891215      4.119289
  C      -5.987732     -5.921366      4.829499
  C      -6.861984     -6.763072      5.551263
  C      -8.132074     -6.308092      5.873008
  C      -8.561723     -5.024409      5.483214
  C      -7.711470     -4.173742      4.790447
  C      -6.408028     -4.602767      4.477730
  N      -5.464317     -3.884719      3.766956
  C      -5.725594     -2.550493      3.512193
  C      -5.579939     -2.006243      2.230089
  O      -5.389558     -2.529882      1.142062
  Cl     -5.799736     -0.152400      2.279005
  C      -1.297132     -5.134814      5.709344
  C      -0.013279     -5.410481      6.234548
  C       0.292731     -5.028290      7.528891
  C      -0.661806     -4.358782      8.325278
  C      -1.932553     -4.109137      7.843302
  C      -2.287161     -4.530647      6.542286
  N      -3.516299     -4.342788      5.952526
  C      -4.613177     -4.034225      6.692289
  C      -4.934920     -4.664790      7.932785
  O      -4.405370     -5.576295      8.529886
  Cl     -6.490918     -3.920921      8.620923
  H      -2.504961     -3.118417     -0.670727
  H      -1.601126     -0.861658     -1.013509
  H      -1.298923      0.699280      0.909869
  H      -1.786897     -0.062584      3.214906
  H      -2.727024     -2.194637      5.865535
  H      -6.539948     -7.753280      5.871772
  H      -8.804615     -6.953497      6.439344
  H      -9.570574     -4.693341      5.731986
  H      -8.044019     -3.184837      4.475294
  H      -6.150646     -1.932662      4.304473
  H       0.745251     -5.880963      5.610445
  H       1.292606     -5.212598      7.923774
  H      -0.389428     -4.019015      9.325004
  H      -2.658639     -3.569770      8.449373
  H      -5.368048     -3.392401      6.251522
  N      -7.024549     -5.307405      1.155693
  H      -7.811552     -5.308777      0.502191
  H      -6.578889     -4.385938      1.066713
  H      -7.437437     -5.322005      2.092204
  N       0.772337     -3.986348      1.152425
  N       1.312667     -3.101309      0.778299
77
Coordinates from ORCA-job orca E -7409.262592087614
  N      -3.142133     -4.134915      1.818761
  C      -3.494506     -5.029103      0.719659
  C      -3.816167     -6.393403      1.299387
  N      -3.029645     -6.573650      2.547889
  C      -3.433182     -7.840875      3.242215
  C      -4.121925     -7.511159      4.564450
  N      -4.737346     -6.211505      4.384181
  Mo     -3.516589     -4.706570      3.775318
  N      -1.706766     -5.387110      4.434483
  C      -0.848156     -6.238007      3.609896
  C      -1.562802     -6.527254      2.301709
  H      -0.624288     -7.165385      4.165479
  H       0.115210     -5.746511      3.396955
  H      -1.225974     -7.478143      1.858598
  H      -1.360247     -5.727256      1.585684
  H      -4.863250     -8.284765      4.809634
  H      -3.393198     -7.467614      5.390193
  H      -4.121222     -8.380790      2.579202
  H      -2.548830     -8.471522      3.397905
  H      -2.653800     -5.090112      0.009444
  H      -4.365175     -4.637806      0.171907
  H      -3.585677     -7.201705      0.584468
  H      -4.881445     -6.449291      1.565077
  C      -2.589037     -2.939944      1.501889
  C      -2.297531     -2.484554      0.189187
  C      -1.802512     -1.210902      0.000523
  C      -1.613824     -0.328235      1.091452
  C      -1.875367     -0.751385      2.375804
  C      -2.311825     -2.077319      2.605857
  N      -2.606054     -2.602745      3.838661
  C      -2.139279     -2.056658      4.960781
  C      -0.889717     -1.382219      5.220694
  O      -0.641658     -0.675433      6.167141
  Cl      0.504146     -1.895075      4.119099
  C      -5.987505     -5.921519      4.830028
  C      -6.861126     -6.763148      5.552802
  C      -8.130910     -6.308074      5.875440
  C      -8.560857     -5.024442      5.485558
  C      -7.711170     -4.173997      4.791987
  C      -6.408194     -4.603070      4.478192
  N      -5.464732     -3.885375      3.766692
  C      -5.726017     -2.551102      3.511715
  C      -5.580887     -2.007170      2.229562
  O      -5.390382     -2.530895      1.141677
  Cl     -5.801513     -0.153069      2.278300
  C      -1.298123     -5.134964      5.709447
  C      -0.014400     -5.410924      6.234939
  C       0.291464     -5.028719      7.529273
  C      -0.663063     -4.358894      8.325505
  C      -1.933671     -4.109063      7.843299
  C      -2.288030     -4.530499      6.542179
  N      -3.516961     -4.342387      5.951953
  C      -4.613887     -4.033237      6.691300
  C      -4.936119     -4.663158      7.932032
  O      -4.407305     -5.575009      8.529168
  Cl     -6.491830     -3.917787      8.619587
  H      -2.506158     -3.117343     -0.670938
  H      -1.601022     -0.860695     -1.013083
  H      -1.297963      0.699247      0.910545
  H      -1.786899     -0.063076      3.215752
  H      -2.727913     -2.193816      5.865192
  H      -6.538415     -7.753087      5.873447
  H      -8.802962     -6.953315      6.442536
  H      -9.569363     -4.693333      5.735653
  H      -8.043505     -3.185026      4.476969
  H      -6.150156     -1.933216      4.304436
  H       0.743972     -5.881909      5.611028
  H       1.291345     -5.213104      7.924106
  H      -0.390972     -4.019132      9.325311
  H      -2.659873     -3.569615      8.449149
  H      -5.368295     -3.390839      6.250571
  N      -7.023200     -5.308566      1.155956
  H      -7.808380     -5.308175      0.500277
  H      -6.576213     -4.387490      1.069114
  H      -7.438144     -5.323620      2.091609
  N       0.774036     -3.985708      1.150009
  N       1.315160     -3.101239      0.775672
77
Coordinates from ORCA-job orca E -7409.262594392613
  N      -3.142478     -4.134493      1.818190
  C      -3.493701     -5.028649      0.718467
  C      -3.815720     -6.392926      1.297907
  N      -3.029891     -6.572933      2.546950
  C      -3.433409     -7.840466      3.240851
  C      -4.121917     -7.511457      4.563407
  N      -4.737514     -6.211820      4.383713
  Mo     -3.517370     -4.706351      3.774602
  N      -1.708033     -5.386905      4.434579
  C      -0.848609     -6.236771      3.609718
  C      -1.563012     -6.526262      2.301430
  H      -0.623679     -7.164007      4.165066
  H       0.114075     -5.743983      3.396720
  H      -1.226002     -7.477141      1.858411
  H      -1.360070     -5.726354      1.585414
  H      -4.862732     -8.285503      4.808670
  H      -3.392894     -7.467860      5.388924
  H      -4.121746     -8.380134      2.577959
  H      -2.548906     -8.471059      3.395881
  H      -2.652198     -5.088673      0.009149
  H      -4.363911     -4.637062      0.170189
  H      -3.584451     -7.201493      0.583558
  H      -4.881293     -6.448428      1.562481
  C      -2.589231     -2.939427      1.501669
  C      -2.297195     -2.483593      0.189339
  C      -1.801340     -1.210110      0.001455
  C      -1.612302     -0.328108      1.092773
  C      -1.874652     -0.751567      2.376897
  C      -2.312112     -2.077316      2.606025
  N      -2.606822     -2.603020      3.838665
  C      -2.139182     -2.057217      4.960685
  C      -0.888012     -1.385670      5.220266
  O      -0.637873     -0.680127      6.167155
  Cl      0.503976     -1.900963      4.117775
  C      -5.987300     -5.921996      4.830659
  C      -6.860113     -6.763696      5.554505
  C      -8.129553     -6.308635      5.878248
  C      -8.560137     -5.025151      5.488463
  C      -7.711341     -4.174658      4.793933
  C      -6.408665     -4.603780      4.478926
  N      -5.465668     -3.886137      3.766551
  C      -5.727086     -2.551990      3.511382
  C      -5.581966     -2.008250      2.229176
  O      -5.391153     -2.532038      1.141410
  Cl     -5.803229     -0.153931      2.277877
  C      -1.299854     -5.134995      5.709676
  C      -0.016232     -5.411343      6.235477
  C       0.289629     -5.028943      7.529696
  C      -0.664838     -4.358477      8.325599
  C      -1.935276     -4.108424      7.843203
  C      -2.289605     -4.530104      6.542128
  N      -3.518274     -4.341611      5.951396
  C      -4.615106     -4.031527      6.690332
  C      -4.937809     -4.660245      7.931703
  O      -4.409592     -5.572128      8.529195
  Cl     -6.492620     -3.912607      8.618756
  H      -2.506577     -3.115636     -0.671159
  H      -1.599499     -0.859332     -1.011884
  H      -1.295569      0.699156      0.912139
  H      -1.786091     -0.063917      3.217370
  H      -2.728180     -2.192811      5.865094
  H      -6.536566     -7.753376      5.875089
  H      -8.801034     -6.953784      6.446138
  H      -9.568317     -4.694133      5.739999
  H      -8.043865     -3.185785      4.478835
  H      -6.150371     -1.934014      4.304500
  H       0.741939     -5.882915      5.611778
  H       1.289463     -5.213476      7.924564
  H      -0.392865     -4.018450      9.325347
  H      -2.661366     -3.568560      8.448807
  H      -5.369008     -3.388727      6.249359
  N      -7.021903     -5.311023      1.157311
  H      -7.805634     -5.309905      0.499921
  H      -6.574345     -4.390094      1.071736
  H      -7.438364     -5.326215      2.092249
  N       0.775981     -3.985258      1.145972
  N       1.318254     -3.101711      0.771125
77
Coordinates from ORCA-job orca E -7409.262596983196
  N      -3.142851     -4.133929      1.817354
  C      -3.492627     -5.027966      0.716893
  C      -3.815099     -6.392335      1.295968
  N      -3.030276     -6.572113      2.545739
  C      -3.433902     -7.839936      3.239138
  C      -4.121993     -7.511642      4.562097
  N      -4.737697     -6.211956      4.383124
  Mo     -3.518157     -4.706008      3.773672
  N      -1.709352     -5.386710      4.434575
  C      -0.849215     -6.235685      3.609558
  C      -1.563227     -6.525280      2.301027
  H      -0.623510     -7.162892      4.164616
  H       0.112952     -5.741909      3.396563
  H      -1.226188     -7.476130      1.857984
  H      -1.359805     -5.725344      1.585198
  H      -4.862410     -8.286072      4.807238
  H      -3.392518     -7.467919      5.387232
  H      -4.122700     -8.379010      2.576227
  H      -2.549443     -8.470795      3.393348
  H      -2.650159     -5.087036      0.008704
  H      -4.362209     -4.636107      0.167823
  H      -3.582891     -7.200981      0.582030
  H      -4.880986     -6.447537      1.559348
  C      -2.589214     -2.938855      1.501443
  C      -2.296571     -2.482555      0.189425
  C      -1.799912     -1.209214      0.002295
  C      -1.610680     -0.327771      1.093886
  C      -1.873851     -0.751518      2.377795
  C      -2.312093     -2.077130      2.606113
  N      -2.607289     -2.603042      3.838665
  C      -2.138738     -2.057529      4.960544
  C      -0.886019     -1.388789      5.219820
  O      -0.634133     -0.684071      6.166940
  Cl      0.504492     -1.906747      4.116996
  C      -5.987066     -5.922263      4.831289
  C      -6.859002     -6.764004      5.556238
  C      -8.127983     -6.308881      5.881325
  C      -8.559195     -5.025571      5.491810
  C      -7.711445     -4.175011      4.796048
  C      -6.409057     -4.604234      4.479757
  N      -5.466739     -3.886544      3.766426
  C      -5.728480     -2.552675      3.510707
  C      -5.583393     -2.009493      2.228299
  O      -5.392435     -2.533775      1.140887
  Cl     -5.805053     -0.155108      2.276274
  C      -1.301758     -5.135129      5.709866
  C      -0.018277     -5.412009      6.235980
  C       0.287586     -5.029564      7.530136
  C      -0.666828     -4.358466      8.325673
  C      -1.937049     -4.108032      7.843084
  C      -2.291463     -4.529882      6.542056
  N      -3.519830     -4.340776      5.950907
  C      -4.616490     -4.029784      6.689584
  C      -4.939589     -4.657499      7.931547
  O      -4.411725     -5.569278      8.529427
  Cl     -6.493231     -3.907821      8.618502
  H      -2.506332     -3.113893     -0.671500
  H      -1.597583     -0.858013     -1.010810
  H      -1.293258      0.699344      0.913537
  H      -1.785308     -0.064334      3.218641
  H      -2.727957     -2.191673      5.865036
  H      -6.534819     -7.753560      5.876554
  H      -8.798893     -6.953862      6.450105
  H      -9.567050     -4.694568      5.744676
  H      -8.044476     -3.186370      4.480682
  H      -6.150977     -1.934275      4.303933
  H       0.739809     -5.883935      5.612453
  H       1.287263     -5.214448      7.925216
  H      -0.394834     -4.018205      9.325336
  H      -2.662847     -3.567594      8.448518
  H      -5.369997     -3.386796      6.248242
  N      -7.020964     -5.314667      1.159872
  H      -7.803430     -5.313017      0.501020
  H      -6.572974     -4.393787      1.075783
  H      -7.438785     -5.330972      2.094146
  N       0.777824     -3.983875      1.142728
  N       1.322451     -3.101666      0.768155
77
Coordinates from ORCA-job orca E -7409.262599404708
  N      -3.143551     -4.133110      1.816526
  C      -3.491691     -5.027026      0.715457
  C      -3.814263     -6.391638      1.294061
  N      -3.030577     -6.571063      2.544621
  C      -3.434189     -7.839174      3.237549
  C      -4.121831     -7.511567      4.560885
  N      -4.737771     -6.211889      4.382610
  Mo     -3.518951     -4.705420      3.772756
  N      -1.710659     -5.386276      4.434695
  C      -0.849779     -6.234290      3.609560
  C      -1.563274     -6.523879      2.300707
  H      -0.623356     -7.161574      4.164190
  H       0.111958     -5.739637      3.396669
  H      -1.226056     -7.474552      1.857472
  H      -1.359619     -5.723686      1.585250
  H      -4.862028     -8.286298      4.805656
  H      -3.391952     -7.467746      5.385655
  H      -4.123399     -8.377549      2.574477
  H      -2.549873     -8.470429      3.390989
  H      -2.648241     -5.085210      0.008418
  H      -4.360700     -4.635272      0.165440
  H      -3.580866     -7.200101      0.580318
  H      -4.880476     -6.446988      1.556188
  C      -2.589356     -2.938084      1.501331
  C      -2.296150     -2.481201      0.189564
  C      -1.798749     -1.207960      0.003235
  C      -1.609211     -0.327119      1.095116
  C      -1.872939     -0.751320      2.378775
  C      -2.312003     -2.076769      2.606299
  N      -2.607566     -2.602915      3.838709
  C      -2.137614     -2.057994      4.960394
  C      -0.883090     -1.392516      5.218862
  O      -0.628630     -0.688943      6.166218
  Cl      0.505334     -1.913517      4.114775
  C      -5.986788     -5.922428      4.831872
  C      -6.857765     -6.764234      5.557874
  C      -8.126386     -6.309229      5.884276
  C      -8.558334     -5.026177      5.495032
  C      -7.711725     -4.175463      4.797957
  C      -6.409458     -4.604563      4.480520
  N      -5.468003     -3.886588      3.766311
  C      -5.730090     -2.553080      3.509923
  C      -5.584575     -2.010774      2.227069
  O      -5.393464     -2.535961      1.140058
  Cl     -5.805924     -0.156466      2.273588
  C      -1.303764     -5.135120      5.710241
  C      -0.020487     -5.412544      6.236728
  C       0.285210     -5.030314      7.530951
  C      -0.669253     -4.358821      8.326137
  C      -1.939197     -4.107888      7.843251
  C      -2.293632     -4.529682      6.542171
  N      -3.521642     -4.339716      5.950721
  C      -4.618084     -4.027880      6.689209
  C      -4.941701     -4.654887      7.931561
  O      -4.414286     -5.566714      8.529771
  Cl     -6.494099     -3.903586      8.618626
  H      -2.505886     -3.111811     -0.671895
  H      -1.595905     -0.856426     -1.009664
  H      -1.291199      0.699906      0.915213
  H      -1.784129     -0.064602      3.219977
  H      -2.726561     -2.190896      5.865283
  H      -6.533059     -7.753723      5.877876
  H      -8.796665     -6.954077      6.453970
  H      -9.566001     -4.695300      5.748820
  H      -8.045691     -3.187164      4.482167
  H      -6.152315     -1.934001      4.302779
  H       0.737718     -5.884420      5.613316
  H       1.284624     -5.215649      7.926462
  H      -0.397237     -4.018501      9.325776
  H      -2.664666     -3.566901      8.448584
  H      -5.371196     -3.384738      6.247444
  N      -7.020373     -5.318907      1.163196
  H      -7.801518     -5.317115      0.502827
  H      -6.571783     -4.398258      1.080160
  H      -7.439778     -5.335830      2.096664
  N       0.779768     -3.983005      1.138072
  N       1.326503     -3.102229      0.763224
77
Coordinates from ORCA-job orca E -7409.262601575977
  N      -3.143966     -4.132197      1.815841
  C      -3.490872     -5.026030      0.714352
  C      -3.813373     -6.390902      1.292568
  N      -3.030644     -6.570097      2.543752
  C      -3.434394     -7.838351      3.236368
  C      -4.121474     -7.511084      4.560057
  N      -4.737641     -6.211429      4.382289
  Mo     -3.519330     -4.704692      3.772028
  N      -1.711404     -5.385863      4.434775
  C      -0.850081     -6.233269      3.609602
  C      -1.563121     -6.522688      2.300422
  H      -0.623292     -7.160728      4.163793
  H       0.111492     -5.738175      3.396932
  H      -1.225701     -7.473159      1.856960
  H      -1.359449     -5.722166      1.585359
  H      -4.861740     -8.285849      4.804520
  H      -3.391270     -7.467341      5.384515
  H      -4.124035     -8.375984      2.573131
  H      -2.550386     -8.470192      3.389236
  H      -2.646722     -5.083905      0.008137
  H      -4.359424     -4.634592      0.163378
  H      -3.579030     -7.199029      0.578754
  H      -4.879822     -6.446651      1.553771
  C      -2.589336     -2.937223      1.501232
  C      -2.295941     -2.480003      0.189540
  C      -1.798116     -1.206841      0.003569
  C      -1.608224     -0.326352      1.095635
  C      -1.872005     -0.750927      2.379171
  C      -2.311583     -2.076245      2.606360
  N      -2.607218     -2.602584      3.838689
  C      -2.136233     -2.058227      4.960287
  C      -0.880545     -1.394908      5.218183
  O      -0.624318     -0.691875      6.165494
  Cl      0.506486     -1.917865      4.112971
  C      -5.986437     -5.922099      4.832295
  C      -6.856703     -6.763851      5.559104
  C      -8.125172     -6.309025      5.886394
  C      -8.557667     -5.026229      5.497156
  C      -7.711826     -4.175509      4.799066
  C      -6.409523     -4.604325      4.480986
  N      -5.468874     -3.886080      3.766116
  C      -5.731531     -2.552932      3.508930
  C      -5.586038     -2.011701      2.225559
  O      -5.395047     -2.538149      1.139137
  Cl     -5.807084     -0.157668      2.270022
  C      -1.305126     -5.135280      5.710593
  C      -0.022128     -5.413299      6.237448
  C       0.283235     -5.031693      7.531919
  C      -0.671325     -4.360167      8.326944
  C      -1.940968     -4.108585      7.843691
  C      -2.295287     -4.529865      6.542372
  N      -3.522954     -4.338841      5.950778
  C      -4.619255     -4.026455      6.689109
  C      -4.943608     -4.653408      7.931364
  O      -4.416859     -5.565677      8.529594
  Cl     -6.495175     -3.901335      8.618556
  H      -2.505402     -3.110271     -0.672226
  H      -1.595039     -0.855264     -1.009275
  H      -1.289911      0.700654      0.916130
  H      -1.782705     -0.064447      3.220526
  H      -2.724818     -2.190494      5.865519
  H      -6.531779     -7.753309      5.878991
  H      -8.794941     -6.953747      6.456834
  H      -9.565304     -4.695444      5.751197
  H      -8.046692     -3.187611      4.482838
  H      -6.154007     -1.933144      4.301098
  H       0.736316     -5.884832      5.614071
  H       1.282350     -5.217565      7.927928
  H      -0.399361     -4.020175      9.326710
  H      -2.666186     -3.567288      8.449040
  H      -5.371952     -3.383017      6.247062
  N      -7.020376     -5.323140      1.167211
  H      -7.800573     -5.321473      0.505781
  H      -6.571308     -4.402662      1.085257
  H      -7.440842     -5.341447      2.100095
  N       0.780643     -3.981708      1.134281
  N       1.330040     -3.102499      0.759648
77
Coordinates from ORCA-job orca E -7409.262603793524
  N      -3.144398     -4.131282      1.815589
  C      -3.490617     -5.025120      0.714099
  C      -3.812603     -6.390254      1.291974
  N      -3.030364     -6.569203      2.543437
  C      -3.434107     -7.837515      3.235950
  C      -4.120773     -7.510336      4.559829
  N      -4.737282     -6.210804      4.382218
  Mo     -3.519416     -4.703901      3.771702
  N      -1.711708     -5.385324      4.435057
  C      -0.850072     -6.232283      3.609858
  C      -1.562725     -6.521420      2.300427
  H      -0.623099     -7.159949      4.163636
  H       0.111488     -5.736957      3.397526
  H      -1.224879     -7.471601      1.856691
  H      -1.359319     -5.720482      1.585749
  H      -4.861175     -8.285032      4.804170
  H      -3.390464     -7.466720      5.384161
  H      -4.123982     -8.374752      2.572650
  H      -2.550313     -8.469730      3.388561
  H      -2.646168     -5.082998      0.008204
  H      -4.359014     -4.634263      0.162475
  H      -3.577489     -7.197961      0.577927
  H      -4.879206     -6.446837      1.552582
  C      -2.589620     -2.936289      1.501204
  C      -2.296316     -2.478793      0.189535
  C      -1.798358     -1.205643      0.003763
  C      -1.608096     -0.325437      1.096027
  C      -1.871526     -0.750442      2.379459
  C      -2.311431     -2.075672      2.606455
  N      -2.606743     -2.602298      3.838646
  C      -2.134696     -2.058621      4.960195
  C      -0.878058     -1.397035      5.217283
  O      -0.619779     -0.694636      6.164481
  Cl      0.507393     -1.921607      4.110231
  C      -5.986035     -5.921679      4.832455
  C      -6.855763     -6.763507      5.559668
  C      -8.124408     -6.309216      5.887202
  C      -8.557428     -5.026705      5.497713
  C      -7.712026     -4.175841      4.799220
  C      -6.409498     -4.603973      4.481037
  N      -5.469441     -3.885384      3.765859
  C      -5.732398     -2.552480      3.508292
  C      -5.586516     -2.012088      2.224407
  O      -5.395583     -2.539744      1.138385
  Cl     -5.806683     -0.158343      2.266977
  C      -1.305937     -5.135289      5.711119
  C      -0.023227     -5.413783      6.238352
  C       0.281659     -5.032961      7.533157
  C      -0.673064     -4.361688      8.328171
  C      -1.942425     -4.109520      7.844493
  C      -2.296426     -4.530034      6.542804
  N      -3.523777     -4.338009      5.951118
  C      -4.620084     -4.025328      6.689153
  C      -4.945354     -4.652442      7.931071
  O      -4.419463     -5.565347      8.529225
  Cl     -6.496603     -3.900097      8.618028
  H      -2.505348     -3.108892     -0.672454
  H      -1.595299     -0.854076     -1.009088
  H      -1.289670      0.701603      0.916950
  H      -1.781548     -0.064219      3.220972
  H      -2.722701     -2.190620      5.865848
  H      -6.530604     -7.752847      5.879695
  H      -8.793740     -6.954039      6.458026
  H      -9.565237     -4.696209      5.751451
  H      -8.047813     -3.188223      4.482756
  H      -6.155734     -1.932231      4.299634
  H       0.735479     -5.884886      5.614976
  H       1.280527     -5.219241      7.929608
  H      -0.401315     -4.022272      9.328192
  H      -2.667598     -3.568217      8.449884
  H      -5.372302     -3.381439      6.246925
  N      -7.020877     -5.326136      1.170767
  H      -7.800103     -5.324745      0.508237
  H      -6.570975     -4.406122      1.089166
  H      -7.442557     -5.344346      2.103046
  N       0.781192     -3.982389      1.129406
  N       1.331713     -3.104279      0.753869
77
Coordinates from ORCA-job orca E -7409.262605023084
  N      -3.144231     -4.130544      1.815562
  C      -3.490396     -5.024384      0.714125
  C      -3.812031     -6.389685      1.291800
  N      -3.029952     -6.568633      2.543325
  C      -3.433914     -7.836877      3.235847
  C      -4.120082     -7.509525      4.559928
  N      -4.736815     -6.210081      4.382316
  Mo     -3.519100     -4.703258      3.771628
  N      -1.711526     -5.385061      4.435273
  C      -0.849881     -6.231977      3.610081
  C      -1.562321     -6.520729      2.300461
  H      -0.623080     -7.159846      4.163595
  H       0.111852     -5.736758      3.398148
  H      -1.224159     -7.470713      1.856531
  H      -1.359118     -5.719508      1.586042
  H      -4.860570     -8.284067      4.804585
  H      -3.389641     -7.466053      5.384126
  H      -4.124136     -8.373806      2.572686
  H      -2.550346     -8.469467      3.388267
  H      -2.645973     -5.082613      0.008171
  H      -4.358726     -4.633836      0.162121
  H      -3.576532     -7.197079      0.577499
  H      -4.878688     -6.446985      1.552127
  C      -2.589655     -2.935436      1.501145
  C      -2.296741     -2.477923      0.189440
  C      -1.798902     -1.204767      0.003495
  C      -1.608327     -0.324650      1.095884
  C      -1.871202     -0.749894      2.379350
  C      -2.311172     -2.075095      2.606447
  N      -2.605973     -2.602025      3.838576
  C      -2.133468     -2.058797      4.960178
  C      -0.876678     -1.397472      5.216896
  O      -0.617584     -0.695018      6.163770
  Cl      0.508166     -1.922377      4.108714
  C      -5.985652     -5.921017      4.832426
  C      -6.855304     -6.762867      5.559627
  C      -8.124290     -6.309025      5.886761
  C      -8.557521     -5.026691      5.496801
  C      -7.711993     -4.175808      4.798532
  C      -6.409208     -4.603357      4.480794
  N      -5.469403     -3.884650      3.765549
  C      -5.732759     -2.551893      3.507770
  C      -5.587195     -2.011973      2.223635
  O      -5.396508     -2.540580      1.138048
  Cl     -5.807124     -0.158524      2.264850
  C      -1.306060     -5.135521      5.711517
  C      -0.023604     -5.414464      6.239054
  C       0.280875     -5.034395      7.534165
  C      -0.673944     -4.363401      8.329292
  C      -1.943080     -4.110712      7.845264
  C      -2.296723     -4.530403      6.543188
  N      -3.523837     -4.337566      5.951409
  C      -4.620299     -4.024790      6.689051
  C      -4.946462     -4.652165      7.930535
  O      -4.421409     -5.565713      8.528540
  Cl     -6.497875     -3.899776      8.616948
  H      -2.505542     -3.108197     -0.672480
  H      -1.596150     -0.853300     -1.009444
  H      -1.289932      0.702433      0.917049
  H      -1.780648     -0.063779      3.220907
  H      -2.721115     -2.190988      5.866019
  H      -6.530081     -7.752066      5.880035
  H      -8.793468     -6.954016      6.457553
  H      -9.565549     -4.696392      5.749911
  H      -8.048137     -3.188376      4.482054
  H      -6.156945     -1.931554      4.298578
  H       0.735227     -5.885372      5.615687
  H       1.279592     -5.221008      7.930856
  H      -0.402468     -4.024634      9.329605
  H      -2.668351     -3.569582      8.450686
  H      -5.372018     -3.380339      6.246763
  N      -7.021589     -5.328556      1.174365
  H      -7.800296     -5.327512      0.511267
  H      -6.571288     -4.408744      1.093202
  H      -7.443708     -5.347457      2.106420
  N       0.780338     -3.982899      1.126188
  N       1.332489     -3.105907      0.750408
