73
Coordinates from ORCA-job orca E -7297.912096663292
  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
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  C      -1.752913     -6.408094      2.069950
  H      -0.641960     -6.934242      3.864955
  H      -0.094407     -5.434414      3.076987
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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      -7.746495     -4.216940      4.685565
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  C       0.128735     -5.152284      7.292352
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  C      -2.415018     -4.538626      6.334732
  N      -3.605301     -4.253288      5.746051
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  C      -4.999503     -4.499897      7.734761
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  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
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  H      -8.644805     -6.936482      6.476619
  H      -9.556260     -4.807456      5.637750
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  H      -6.442411     -2.024602      4.268364
  H       0.584869     -5.871797      5.352651
  H       1.106249     -5.389709      7.682103
  H      -0.523285     -4.234590      9.125438
  H      -2.748483     -3.655222      8.269629
  H      -5.370178     -3.204046      6.080453
  N      -5.018756     -5.389362      2.286559
  H      -5.699790     -5.781237      1.637723
73
Coordinates from ORCA-job orca E -7297.982901762979
  N      -3.279055     -4.100139      1.746345
  C      -3.775616     -4.925324      0.649344
  C      -4.035673     -6.331742      1.226544
  N      -3.167423     -6.470523      2.425327
  C      -3.463161     -7.728157      3.168914
  C      -4.041371     -7.362174      4.548122
  N      -4.665612     -6.062887      4.381675
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  N      -1.851217     -5.286918      4.193582
  C      -0.963880     -6.051454      3.324656
  C      -1.735294     -6.423820      2.058837
  H      -0.633993     -6.951046      3.860521
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  H      -3.048634     -4.963758     -0.175634
  H      -4.697163     -4.473208      0.262571
  H      -3.795482     -7.104884      0.479269
  H      -5.109672     -6.462517      1.545705
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  C      -2.339079     -2.489938      0.101070
  C      -1.719505     -1.272474     -0.063784
  C      -1.429465     -0.450236      1.038852
  C      -1.726661     -0.867488      2.314481
  C      -2.296698     -2.140142      2.519331
  N      -2.703544     -2.633426      3.729950
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  C      -0.842888     -1.712041      5.088671
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  C      -6.732180     -6.684907      5.612890
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  C      -7.756857     -4.223533      4.723025
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  N      -3.613997     -4.251040      5.746006
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  C      -5.040494     -4.488293      7.728295
  O      -4.618258     -5.454491      8.308888
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  H      -2.604214     -3.067067     -0.773024
  H      -1.482248     -0.923872     -1.061229
  H      -0.990661      0.527192      0.882068
  H      -1.556110     -0.215077      3.162712
  H      -2.859093     -1.935792      5.703150
  H      -6.354723     -7.629004      5.981535
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  H      -0.521283     -4.240773      9.143620
  H      -2.749944     -3.654657      8.280676
  H      -5.382373     -3.191208      6.057236
  N      -5.049813     -5.383264      2.262264
  H      -5.825796     -5.695136      1.647043
73
Coordinates from ORCA-job orca E -7298.030695640749
  N      -3.261834     -4.089185      1.706531
  C      -3.746869     -4.923564      0.600510
  C      -4.027944     -6.336029      1.189171
  N      -3.160685     -6.482991      2.408050
  C      -3.458829     -7.741484      3.167552
  C      -4.036939     -7.375844      4.555712
  N      -4.678922     -6.080935      4.400064
  Mo     -3.604816     -4.579926      3.618751
  N      -1.846392     -5.298693      4.193764
  C      -0.957637     -6.065338      3.318313
  C      -1.723873     -6.436303      2.047349
  H      -0.628816     -6.966996      3.854549
  H      -0.071583     -5.464934      3.068042
  H      -1.392252     -7.409453      1.660431
  H      -1.548159     -5.690935      1.268222
  H      -4.750530     -8.137490      4.884827
  H      -3.238534     -7.305234      5.309710
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  H      -3.003292     -4.962552     -0.215529
  H      -4.662965     -4.476683      0.196134
  H      -3.781849     -7.112646      0.440752
  H      -5.135680     -6.481362      1.502442
  C      -2.632641     -2.928912      1.372490
  C      -2.305039     -2.473497      0.074455
  C      -1.687350     -1.250783     -0.082056
  C      -1.410690     -0.423701      1.028158
  C      -1.719870     -0.842746      2.301802
  C      -2.289521     -2.120646      2.498762
  N      -2.701872     -2.618943      3.710860
  C      -2.197233     -2.073836      4.837240
  C      -0.838928     -1.697322      5.097486
  O      -0.424627     -1.053829      6.032508
  Cl      0.387632     -2.481699      4.001159
  C      -5.935782     -5.848928      4.859400
  C      -6.734101     -6.697258      5.651838
  C      -8.022063     -6.311691      5.982833
  C      -8.548849     -5.095781      5.522296
  C      -7.772209     -4.232539      4.761139
  C      -6.452219     -4.582493      4.448493
  N      -5.565126     -3.808622      3.681273
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  C      -5.503067     -1.710548      2.430363
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  C      -0.167545     -5.465419      6.006497
  C       0.133122     -5.176356      7.322560
  C      -0.802130     -4.524342      8.149277
  C      -2.057018     -4.207419      7.673640
  C      -2.416359     -4.548604      6.353105
  N      -3.626775     -4.249668      5.751012
  C      -4.703219     -3.896411      6.471670
  C      -5.069232     -4.478083      7.734161
  O      -4.643656     -5.446702      8.313675
  Cl     -6.520187     -3.605919      8.410166
  H      -2.560841     -3.054440     -0.804477
  H      -1.441134     -0.899923     -1.080826
  H      -0.973146      0.558958      0.875464
  H      -1.559610     -0.188410      3.154405
  H      -2.864305     -1.944713      5.690028
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  H      -8.635210     -6.964150      6.598440
  H      -9.573611     -4.826588      5.762515
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  H       1.116348     -5.419169      7.716453
  H      -0.523990     -4.247768      9.162354
  H      -2.757004     -3.656841      8.292991
  H      -5.393339     -3.179147      6.047464
  N      -5.092677     -5.379736      2.230441
  H      -5.938341     -5.614136      1.660186
73
Coordinates from ORCA-job orca E -7298.062615416261
  N      -3.237597     -4.078952      1.666935
  C      -3.707026     -4.923385      0.558125
  C      -4.014346     -6.333506      1.155383
  N      -3.156114     -6.490787      2.389487
  C      -3.458741     -7.747689      3.162559
  C      -4.033180     -7.386024      4.558146
  N      -4.690073     -6.097933      4.416740
  Mo     -3.613448     -4.586371      3.603158
  N      -1.844506     -5.308728      4.194062
  C      -0.954692     -6.075688      3.314795
  C      -1.715256     -6.444158      2.038237
  H      -0.627373     -6.978986      3.851296
  H      -0.065679     -5.476618      3.067192
  H      -1.381277     -7.418369      1.652493
  H      -1.539733     -5.697799      1.259683
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  H      -3.224977     -7.314643      5.301978
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  H      -2.945334     -4.967812     -0.243170
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  H      -3.763959     -7.113868      0.408877
  H      -5.151549     -6.493118      1.456709
  C      -2.602570     -2.919267      1.347544
  C      -2.256239     -2.465173      0.051956
  C      -1.639673     -1.239613     -0.095467
  C      -1.381090     -0.407113      1.020023
  C      -1.707517     -0.824983      2.290114
  C      -2.278037     -2.105667      2.479032
  N      -2.698205     -2.605360      3.689112
  C      -2.197695     -2.072391      4.822983
  C      -0.837457     -1.693113      5.101749
  O      -0.451459     -1.062939      6.056716
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  C      -6.728624     -6.706849      5.689383
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  C      -8.547835     -5.105163      5.578780
  C      -7.779339     -4.241156      4.803595
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  C      -2.067240     -4.211119      7.677741
  C      -2.422982     -4.552819      6.358189
  N      -3.639569     -4.245825      5.752794
  C      -4.714597     -3.883236      6.465389
  C      -5.092480     -4.461658      7.735401
  O      -4.664837     -5.430275      8.312870
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  H      -2.499171     -3.050453     -0.830451
  H      -1.380488     -0.888696     -1.093483
  H      -0.944348      0.578758      0.871083
  H      -1.560748     -0.168387      3.145558
  H      -2.868950     -1.958165      5.673705
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  H      -8.620895     -6.973887      6.662786
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  H      -6.504704     -2.007319      4.341097
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  H      -2.767325     -3.657089      8.297427
  H      -5.398956     -3.163085      6.034205
  N      -5.134396     -5.372633      2.192704
  H      -6.028931     -5.524711      1.669819
73
Coordinates from ORCA-job orca E -7298.083746029166
  N      -3.217762     -4.069163      1.634424
  C      -3.668484     -4.924365      0.527477
  C      -4.000316     -6.325954      1.130155
  N      -3.156444     -6.495755      2.372919
  C      -3.464284     -7.750335      3.155257
  C      -4.031459     -7.396449      4.556973
  N      -4.699528     -6.115398      4.433127
  Mo     -3.625668     -4.594781      3.588996
  N      -1.848381     -5.316890      4.195328
  C      -0.957462     -6.082157      3.314405
  C      -1.711812     -6.447693      2.033213
  H      -0.630617     -6.986583      3.850550
  H      -0.066082     -5.484351      3.069604
  H      -1.375576     -7.421904      1.647522
  H      -1.535879     -5.699086      1.257251
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  H      -2.889873     -4.976994     -0.257271
  H      -4.570111     -4.490782      0.079303
  H      -3.748957     -7.110400      0.386249
  H      -5.160621     -6.500696      1.418292
  C      -2.581786     -2.910635      1.329446
  C      -2.219901     -2.455698      0.036806
  C      -1.609306     -1.225935     -0.102267
  C      -1.370254     -0.388808      1.016507
  C      -1.710724     -0.807043      2.282626
  C      -2.277406     -2.091389      2.464200
  N      -2.701264     -2.592978      3.670892
  C      -2.205601     -2.072696      4.810258
  C      -0.846075     -1.685585      5.102262
  O      -0.482512     -1.070077      6.074146
  Cl      0.425540     -2.419152      4.000875
  C      -5.943548     -5.869182      4.907081
  C      -6.724430     -6.715975      5.722090
  C      -8.008911     -6.330619      6.081236
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  C      -5.569043     -1.739681      2.422593
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  C      -2.431435     -4.556856      6.360952
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  C      -5.108077     -4.443038      7.739982
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  H      -2.448923     -3.045182     -0.847979
  H      -1.340266     -0.873704     -1.098578
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  H      -1.579146     -0.148568      3.140261
  H      -2.877791     -1.978652      5.662039
  H      -6.322590     -7.660130      6.086635
  H      -8.607272     -6.982724      6.717100
  H      -9.567601     -4.841715      5.891466
  H      -8.219729     -3.324195      4.467583
  H      -6.505595     -2.000596      4.353533
  H       0.568574     -5.936155      5.376527
  H       1.100551     -5.443121      7.731810
  H      -0.542698     -4.256831      9.175927
  H      -2.774349     -3.657256      8.299721
  H      -5.401383     -3.147326      6.026265
  N      -5.177819     -5.363843      2.160430
  H      -6.105837     -5.431909      1.684502
73
Coordinates from ORCA-job orca E -7298.097909480517
  N      -3.194823     -4.061715      1.607883
  C      -3.624682     -4.927064      0.505674
  C      -3.982233     -6.314061      1.110625
  N      -3.159464     -6.498567      2.356291
  C      -3.475613     -7.750409      3.142824
  C      -4.031256     -7.405872      4.549592
  N      -4.704490     -6.129793      4.446302
  Mo     -3.638326     -4.603524      3.573183
  N      -1.856084     -5.322807      4.195696
  C      -0.963594     -6.086384      3.316370
  C      -1.710558     -6.449313      2.031244
  H      -0.637651     -6.991511      3.852526
  H      -0.069491     -5.490788      3.074705
  H      -1.372958     -7.423134      1.645178
  H      -1.531815     -5.697897      1.259434
  H      -4.723166     -8.189657      4.884448
  H      -3.205129     -7.343285      5.274809
  H      -4.203482     -8.344458      2.575352
  H      -2.557003     -8.339552      3.253491
  H      -2.829793     -4.993690     -0.260399
  H      -4.516614     -4.498534      0.033123
  H      -3.735244     -7.104089      0.370020
  H      -5.158069     -6.499466      1.385714
  C      -2.556439     -2.906336      1.316019
  C      -2.175759     -2.452475      0.027019
  C      -1.571180     -1.219357     -0.104970
  C      -1.354413     -0.376649      1.014879
  C      -1.711375     -0.793532      2.276548
  C      -2.274204     -2.080665      2.452106
  N      -2.703385     -2.582441      3.654227
  C      -2.212996     -2.074389      4.798041
  C      -0.855558     -1.680567      5.101362
  O      -0.507498     -1.080656      6.087617
  Cl      0.429142     -2.391439      3.995689
  C      -5.941653     -5.878141      4.927394
  C      -6.715231     -6.724245      5.751831
  C      -7.995805     -6.339539      6.124636
  C      -8.538302     -5.123920      5.675970
  C      -7.787394     -4.261643      4.879200
  C      -6.481734     -4.613221      4.525134
  N      -5.635617     -3.820749      3.712572
  C      -5.928239     -2.499488      3.590988
  C      -5.604469     -1.761306      2.416832
  O      -5.301176     -2.162180      1.310655
  Cl     -5.781544      0.034717      2.712446
  C      -1.469905     -5.155981      5.501544
  C      -0.203519     -5.501617      6.019138
  C       0.102399     -5.206221      7.337974
  C      -0.828834     -4.542507      8.158685
  C      -2.085803     -4.216269      7.676692
  C      -2.441204     -4.559711      6.360261
  N      -3.660111     -4.237446      5.755085
  C      -4.726347     -3.853310      6.455653
  C      -5.121345     -4.418344      7.740126
  O      -4.691654     -5.381782      8.319615
  Cl     -6.556534     -3.507345      8.386058
  H      -2.388942     -3.047023     -0.858878
  H      -1.290771     -0.867323     -1.098700
  H      -0.928743      0.616259      0.871243
  H      -1.597373     -0.132393      3.135008
  H      -2.884255     -2.000653      5.651918
  H      -6.306571     -7.667364      6.112755
  H      -8.586016     -6.991263      6.769024
  H      -9.556114     -4.848897      5.953202
  H      -8.224032     -3.333618      4.510846
  H      -6.505734     -2.002969      4.373127
  H       0.551244     -5.951591      5.376919
  H       1.088807     -5.454105      7.730807
  H      -0.551997     -4.259371      9.174187
  H      -2.780029     -3.655408      8.298597
  H      -5.400767     -3.128864      6.014662
  N      -5.216511     -5.350537      2.131476
  H      -6.160547     -5.338743      1.691682
73
Coordinates from ORCA-job orca E -7298.107877103254
  N      -3.176980     -4.056253      1.590350
  C      -3.587167     -4.930751      0.492822
  C      -3.965320     -6.302336      1.097974
  N      -3.165060     -6.502541      2.342427
  C      -3.492208     -7.752245      3.128244
  C      -4.033910     -7.417014      4.539851
  N      -4.706504     -6.142055      4.458637
  Mo     -3.651985     -4.613612      3.559896
  N      -1.866653     -5.327530      4.196495
  C      -0.972325     -6.090913      3.321064
  C      -1.711252     -6.452639      2.033276
  H      -0.647486     -6.996091      3.858192
  H      -0.075367     -5.498263      3.081955
  H      -1.373282     -7.426084      1.646684
  H      -1.527454     -5.698644      1.266251
  H      -4.721653     -8.206862      4.871026
  H      -3.200518     -7.364796      5.257855
  H      -4.223206     -8.337890      2.555945
  H      -2.576296     -8.347458      3.231375
  H      -2.779608     -5.012844     -0.257176
  H      -4.469305     -4.505074     -0.001774
  H      -3.729741     -7.098521      0.359168
  H      -5.149029     -6.491789      1.365818
  C      -2.538988     -2.902157      1.308486
  C      -2.144454     -2.448239      0.022592
  C      -1.549470     -1.210225     -0.104677
  C      -1.353927     -0.362114      1.014990
  C      -1.722622     -0.779078      2.273045
  C      -2.277464     -2.070361      2.444622
  N      -2.708623     -2.573588      3.643404
  C      -2.222382     -2.074434      4.789475
  C      -0.868249     -1.668509      5.099147
  O      -0.530774     -1.079425      6.094990
  Cl      0.426613     -2.354118      3.987886
  C      -5.939683     -5.887136      4.944762
  C      -6.708692     -6.733688      5.774794
  C      -7.986223     -6.350473      6.156730
  C      -8.533208     -5.134604      5.712720
  C      -7.789858     -4.273357      4.909224
  C      -6.486102     -4.624288      4.545034
  N      -5.653393     -3.832267      3.721585
  C      -5.937350     -2.511608      3.591388
  C      -5.605881     -1.790229      2.407206
  O      -5.297237     -2.204170      1.308949
  Cl     -5.754650      0.013738      2.690071
  C      -1.483305     -5.163890      5.501879
  C      -0.216636     -5.513773      6.018494
  C       0.093460     -5.215325      7.335284
  C      -0.833972     -4.546209      8.155622
  C      -2.090561     -4.216947      7.674843
  C      -2.448970     -4.562046      6.359629
  N      -3.664839     -4.232971      5.755493
  C      -4.726805     -3.836819      6.452095
  C      -5.127700     -4.391782      7.742920
  O      -4.698596     -5.351334      8.328210
  Cl     -6.555112     -3.468617      8.380494
  H      -2.342613     -3.048091     -0.863483
  H      -1.261787     -0.857469     -1.096230
  H      -0.937641      0.634939      0.872397
  H      -1.626172     -0.115172      3.131695
  H      -2.889743     -2.022392      5.647502
  H      -6.294498     -7.675745      6.132621
  H      -8.570120     -7.002328      6.806864
  H      -9.548259     -4.858820      5.999402
  H      -8.228444     -3.344900      4.544209
  H      -6.503042     -2.002159      4.373947
  H       0.535064     -5.967502      5.375428
  H       1.080690     -5.464379      7.725503
  H      -0.555172     -4.260345      9.169896
  H      -2.780122     -3.652210      8.298191
  H      -5.396919     -3.110701      6.007583
  N      -5.251077     -5.334118      2.115539
  H      -6.199759     -5.244547      1.700181
73
Coordinates from ORCA-job orca E -7298.115856557995
  N      -3.158085     -4.052886      1.578643
  C      -3.551829     -4.934389      0.484118
  C      -3.947393     -6.292155      1.087221
  N      -3.169865     -6.507925      2.329006
  C      -3.510878     -7.755476      3.110807
  C      -4.036918     -7.427576      4.527261
  N      -4.703990     -6.150303      4.468312
  Mo     -3.663693     -4.623182      3.546527
  N      -1.877355     -5.331425      4.196385
  C      -0.980884     -6.097207      3.327050
  C      -1.711017     -6.459004      2.036889
  H      -0.658561     -7.001881      3.866749
  H      -0.080511     -5.508508      3.090562
  H      -1.373926     -7.432572      1.650404
  H      -1.520039     -5.703318      1.274177
  H      -4.723352     -8.220713      4.854651
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  H      -4.248190     -8.329098      2.534420
  H      -2.600614     -8.361196      3.204883
  H      -2.734843     -5.032081     -0.252378
  H      -4.423255     -4.507346     -0.029641
  H      -3.729136     -7.094096      0.348742
  H      -5.132564     -6.474577      1.353754
  C      -2.518759     -2.900163      1.304650
  C      -2.110721     -2.447818      0.021917
  C      -1.524500     -1.205493     -0.102375
  C      -1.349257     -0.351680      1.016028
  C      -1.729179     -0.767813      2.270902
  C      -2.276220     -2.062669      2.440017
  N      -2.710564     -2.566068      3.636241
  C      -2.227812     -2.072786      4.782873
  C      -0.876750     -1.655991      5.096915
  O      -0.546642     -1.073044      6.098371
  Cl      0.425631     -2.326923      3.986264
  C      -5.933827     -5.894543      4.960470
  C      -6.697648     -6.742577      5.794959
  C      -7.971561     -6.360794      6.186946
  C      -8.522849     -5.143896      5.749043
  C      -7.787294     -4.283525      4.939443
  C      -6.485608     -4.633859      4.564186
  N      -5.667081     -3.844279      3.728656
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  C      -5.630925     -1.812371      2.396509
  O      -5.343992     -2.230475      1.295095
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  C      -1.495234     -5.171318      5.501202
  C      -0.228614     -5.525699      6.017793
  C       0.084784     -5.224235      7.332378
  C      -0.839048     -4.549090      8.152274
  C      -2.094516     -4.216470      7.672554
  C      -2.455927     -4.563418      6.358054
  N      -3.666612     -4.228036      5.753593
  C      -4.726818     -3.820457      6.444375
  C      -5.136603     -4.365313      7.738681
  O      -4.711718     -5.321739      8.331828
  Cl     -6.560888     -3.433386      8.362996
  H      -2.294484     -3.053282     -0.863501
  H      -1.229730     -0.853002     -1.091901
  H      -0.941888      0.648960      0.873693
  H      -1.649801     -0.100702      3.128837
  H      -2.890607     -2.038387      5.644880
  H      -6.278189     -7.683893      6.148526
  H      -8.549123     -7.013012      6.842259
  H      -9.534708     -4.867578      6.045926
  H      -8.227387     -3.354256      4.578555
  H      -6.500082     -2.006578      4.377963
  H       0.520447     -5.983626      5.374990
  H       1.072315     -5.474716      7.720698
  H      -0.558238     -4.260749      9.165205
  H      -2.779666     -3.647624      8.296604
  H      -5.392110     -3.093225      5.994545
  N      -5.277397     -5.310752      2.110127
  H      -6.219603     -5.146403      1.707899
73
Coordinates from ORCA-job orca E -7298.123492548034
  N      -3.143643     -4.050989      1.572620
  C      -3.525305     -4.937947      0.479160
  C      -3.932431     -6.286078      1.078694
  N      -3.174327     -6.515748      2.317668
  C      -3.529447     -7.760759      3.094905
  C      -4.040845     -7.438060      4.515956
  N      -4.700416     -6.156710      4.476767
  Mo     -3.675203     -4.633061      3.535142
  N      -1.888237     -5.335227      4.195807
  C      -0.989380     -6.105127      3.333299
  C      -1.711010     -6.468421      2.041456
  H      -0.669760     -7.008588      3.876775
  H      -0.085921     -5.520131      3.099034
  H      -1.375307     -7.442468      1.655633
  H      -1.512812     -5.711951      1.281961
  H      -4.727946     -8.232366      4.839915
  H      -3.195643     -7.411419      5.221994
  H      -4.274412     -8.321634      2.515790
  H      -2.626148     -8.378503      3.180195
  H      -2.702968     -5.048085     -0.248512
  H      -4.387707     -4.507133     -0.048147
  H      -3.734374     -7.091660      0.338373
  H      -5.113441     -6.451460      1.350282
  C      -2.504156     -2.898350      1.303912
  C      -2.086862     -2.447351      0.023492
  C      -1.509786     -1.200588     -0.099706
  C      -1.351579     -0.341654      1.016994
  C      -1.739060     -0.757355      2.269753
  C      -2.277518     -2.055848      2.438045
  N      -2.713204     -2.559441      3.633425
  C      -2.232144     -2.069421      4.778756
  C      -0.883446     -1.640931      5.093669
  O      -0.558401     -1.058671      6.096796
  Cl      0.423994     -2.298619      3.982970
  C      -5.929143     -5.902973      4.972567
  C      -6.689455     -6.753914      5.808188
  C      -7.961589     -6.374871      6.205325
  C      -8.517223     -5.157427      5.771188
  C      -7.787736     -4.296830      4.958493
  C      -6.486081     -4.644910      4.577385
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  C      -5.639966     -1.833686      2.387030
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  C       0.078399     -5.231302      7.328455
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  C      -2.096285     -4.214611      7.670473
  C      -2.461222     -4.563707      6.356586
  N      -3.666668     -4.223303      5.752389
  C      -4.724670     -3.804520      6.439289
  C      -5.138804     -4.337643      7.737937
  O      -4.716032     -5.289412      8.340360
  Cl     -6.556322     -3.394410      8.355264
  H      -2.258375     -3.058149     -0.860772
  H      -1.210470     -0.848281     -1.087909
  H      -0.953227      0.662462      0.874180
  H      -1.674262     -0.087172      3.126602
  H      -2.889120     -2.049970      5.645455
  H      -6.265380     -7.694198      6.158867
  H      -8.534804     -7.028116      6.863385
  H      -9.527474     -4.882322      6.074331
  H      -8.229151     -3.367373      4.599875
  H      -6.504705     -2.013218      4.370639
  H       0.508351     -5.998120      5.373953
  H       1.066270     -5.483048      7.714964
  H      -0.558411     -4.259664      9.160023
  H      -2.777633     -3.642021      8.295067
  H      -5.385225     -3.075489      5.985802
  N      -5.298957     -5.280497      2.119644
  H      -6.229384     -5.043541      1.729109
73
Coordinates from ORCA-job orca E -7298.131636278111
  N      -3.129841     -4.049725      1.569700
  C      -3.502291     -4.941264      0.476018
  C      -3.917316     -6.282825      1.070439
  N      -3.177136     -6.524846      2.306625
  C      -3.545805     -7.766491      3.080070
  C      -4.044036     -7.447035      4.505067
  N      -4.695494     -6.160995      4.482649
  Mo     -3.685818     -4.642874      3.523266
  N      -1.898948     -5.339296      4.193872
  C      -0.996798     -6.113972      3.338881
  C      -1.709907     -6.479620      2.045579
  H      -0.680095     -7.015759      3.886894
  H      -0.090537     -5.532194      3.107169
  H      -1.375886     -7.454363      1.660783
  H      -1.504630     -5.722862      1.288583
  H      -4.732561     -8.241205      4.826695
  H      -3.194317     -7.431749      5.206232
  H      -4.298061     -8.315685      2.499191
  H      -2.649631     -8.395824      3.158109
  H      -2.677450     -5.061944     -0.245984
  H      -4.356859     -4.504229     -0.060548
  H      -3.739438     -7.090200      0.327393
  H      -5.088276     -6.423913      1.350533
  C      -2.489184     -2.897403      1.304461
  C      -2.063797     -2.448874      0.025935
  C      -1.494288     -1.198492     -0.097542
  C      -1.350826     -0.334544      1.016914
  C      -1.745089     -0.748973      2.268148
  C      -2.276338     -2.050257      2.436738
  N      -2.713689     -2.553035      3.632154
  C      -2.233195     -2.064884      4.774995
  C      -0.885717     -1.626952      5.089554
  O      -0.563948     -1.043967      6.092944
  Cl      0.424658     -2.277493      3.980966
  C      -5.922978     -5.910711      4.983175
  C      -6.679019     -6.764287      5.820691
  C      -7.949145     -6.387556      6.222999
  C      -8.509386     -5.169696      5.791845
  C      -7.786385     -4.309285      4.975552
  C      -6.484789     -4.655435      4.588450
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  C      -5.969409     -2.550451      3.579331
  C      -5.657060     -1.848782      2.380642
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  Cl     -5.803640     -0.034460      2.655633
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  C       0.071678     -5.237609      7.324097
  C      -0.845483     -4.550816      8.144291
  C      -2.098664     -4.212566      7.667829
  C      -2.466974     -4.564083      6.354278
  N      -3.666876     -4.219679      5.749999
  C      -4.724683     -3.790965      6.431402
  C      -5.146316     -4.313935      7.731819
  O      -4.729158     -5.262854      8.343242
  Cl     -6.561877     -3.362996      8.337678
  H      -2.224772     -3.064899     -0.856690
  H      -1.190823     -0.847186     -1.084793
  H      -0.960045      0.672323      0.873061
  H      -1.692945     -0.075596      3.123430
  H      -2.884172     -2.056610      5.646296
  H      -6.250436     -7.703311      6.169011
  H      -8.518047     -7.041284      6.884270
  H      -9.518014     -4.895985      6.101288
  H      -8.229217     -3.379906      4.618713
  H      -6.511541     -2.023901      4.365767
  H       0.497449     -6.011512      5.373028
  H       1.059725     -5.490359      7.709370
  H      -0.559432     -4.258101      9.154410
  H      -2.776695     -3.636287      8.292415
  H      -5.380121     -3.060725      5.972606
  N      -5.314650     -5.242288      2.138910
  H      -6.230815     -4.937994      1.764640
73
Coordinates from ORCA-job orca E -7298.139965128774
  N      -3.118026     -4.048609      1.571443
  C      -3.482310     -4.944591      0.475218
  C      -3.900680     -6.281948      1.064181
  N      -3.178047     -6.535320      2.296412
  C      -3.560142     -7.772681      3.066654
  C      -4.047434     -7.453623      4.494436
  N      -4.689713     -6.161611      4.485296
  Mo     -3.695880     -4.652957      3.511278
  N      -1.910318     -5.343950      4.190689
  C      -1.003289     -6.123818      3.343945
  C      -1.707332     -6.493002      2.049481
  H      -0.689756     -7.023492      3.897240
  H      -0.094348     -5.544939      3.115266
  H      -1.375425     -7.468625      1.665971
  H      -1.494681     -5.736301      1.294533
  H      -4.738373     -8.246170      4.814753
  H      -3.194358     -7.448340      5.191896
  H      -4.318867     -8.311480      2.484448
  H      -2.671320     -8.413316      3.139757
  H      -2.657756     -5.075514     -0.244347
  H      -4.329817     -4.498359     -0.066827
  H      -3.743121     -7.090403      0.318542
  H      -5.054532     -6.395857      1.357661
  C      -2.475795     -2.896203      1.306454
  C      -2.044222     -2.451877      0.029034
  C      -1.481302     -1.198326     -0.097016
  C      -1.350290     -0.328887      1.014318
  C      -1.749876     -0.741049      2.265006
  C      -2.274608     -2.044562      2.435600
  N      -2.712877     -2.546240      3.632389
  C      -2.231522     -2.056955      4.770670
  C      -0.884603     -1.608228      5.081938
  O      -0.563904     -1.022732      6.083925
  Cl      0.426921     -2.252588      3.975202
  C      -5.916351     -5.917256      4.991759
  C      -6.667281     -6.773462      5.831625
  C      -7.935554     -6.399026      6.238278
  C      -8.500827     -5.180807      5.808858
  C      -7.784477     -4.320968      4.988822
  C      -6.482500     -4.665324      4.596330
  N      -5.690592     -3.884959      3.735678
  C      -5.980563     -2.562310      3.572810
  C      -5.679883     -1.856622      2.377284
  O      -5.387536     -2.260489      1.271073
  Cl     -5.839329     -0.042058      2.663866
  C      -1.523201     -5.191785      5.494270
  C      -0.256302     -5.556640      6.011611
  C       0.064579     -5.246743      7.319707
  C      -0.850101     -4.554897      8.140809
  C      -2.101701     -4.213909      7.666241
  C      -2.473363     -4.566888      6.352121
  N      -3.666640     -4.218941      5.747173
  C      -4.726629     -3.780570      6.421449
  C      -5.158561     -4.293191      7.721424
  O      -4.749476     -5.239212      8.344364
  Cl     -6.573966     -3.334719      8.313067
  H      -2.196591     -3.073576     -0.851144
  H      -1.174929     -0.849007     -1.084049
  H      -0.966492      0.680333      0.868354
  H      -1.708523     -0.064020      3.118110
  H      -2.875197     -2.057390      5.647458
  H      -6.234105     -7.710871      6.178343
  H      -8.500399     -7.052792      6.903001
  H      -9.508068     -4.908887      6.124148
  H      -8.228690     -3.392008      4.632771
  H      -6.519034     -2.037427      4.361957
  H       0.487808     -6.026060      5.372202
  H       1.052672     -5.500538      7.704149
  H      -0.561354     -4.261026      9.149826
  H      -2.776932     -3.634552      8.290833
  H      -5.376081     -3.049407      5.955597
  N      -5.320729     -5.200854      2.168194
  H      -6.223075     -4.836780      1.815168
73
Coordinates from ORCA-job orca E -7298.147836705321
  N      -3.109434     -4.048785      1.578831
  C      -3.467971     -4.946135      0.476601
  C      -3.887800     -6.283321      1.057765
  N      -3.178425     -6.546351      2.288359
  C      -3.573916     -7.779534      3.054461
  C      -4.050076     -7.458932      4.485048
  N      -4.682050     -6.159026      4.486875
  Mo     -3.705087     -4.661906      3.500576
  N      -1.920903     -5.348485      4.186408
  C      -1.008720     -6.135368      3.349009
  C      -1.704756     -6.508431      2.053895
  H      -0.699570     -7.032686      3.908500
  H      -0.096828     -5.559823      3.123573
  H      -1.375542     -7.485476      1.672264
  H      -1.484957     -5.752840      1.299461
  H      -4.744860     -8.247711      4.805614
  H      -3.193883     -7.463541      5.178857
  H      -4.340877     -8.306854      2.472437
  H      -2.693802     -8.432988      3.121958
  H      -2.644618     -5.084179     -0.242265
  H      -4.308651     -4.488000     -0.067711
  H      -3.749148     -7.090895      0.308690
  H      -5.018527     -6.367656      1.364767
  C      -2.464700     -2.896302      1.310537
  C      -2.029599     -2.458166      0.033026
  C      -1.472628     -1.201836     -0.098323
  C      -1.351365     -0.325973      1.008850
  C      -1.753948     -0.734362      2.260363
  C      -2.271948     -2.039806      2.435435
  N      -2.710889     -2.539603      3.634802
  C      -2.228439     -2.048277      4.768664
  C      -0.880956     -1.591982      5.078232
  O      -0.562349     -1.000883      6.077442
  Cl      0.432987     -2.238134      3.979957
  C      -5.909509     -5.923950      4.998299
  C      -6.656200     -6.784471      5.837578
  C      -7.924087     -6.413255      6.245725
  C      -8.494376     -5.194672      5.817643
  C      -7.783261     -4.333642      4.996733
  C      -6.479524     -4.674844      4.602466
  N      -5.691132     -3.897374      3.735720
  C      -5.992667     -2.572136      3.566678
  C      -5.701975     -1.857144      2.379646
  O      -5.405167     -2.243700      1.266303
  Cl     -5.891594     -0.045138      2.681151
  C      -1.529697     -5.198669      5.490326
  C      -0.263071     -5.566627      6.008513
  C       0.059224     -5.254509      7.314933
  C      -0.852881     -4.557488      8.137157
  C      -2.102750     -4.213647      7.664384
  C      -2.477802     -4.568197      6.349541
  N      -3.664758     -4.217210      5.744038
  C      -4.726829     -3.769152      6.411911
  C      -5.166426     -4.269252      7.711954
  O      -4.766046     -5.211992      8.347491
  Cl     -6.581772     -3.302480      8.290242
  H      -2.175274     -3.086124     -0.843846
  H      -1.164812     -0.855865     -1.086105
  H      -0.973951      0.685185      0.859317
  H      -1.721312     -0.052617      3.110215
  H      -2.866170     -2.054622      5.650167
  H      -6.219202     -7.720542      6.182894
  H      -8.486527     -7.068041      6.911596
  H      -9.501420     -4.926138      6.136457
  H      -8.228770     -3.405035      4.641325
  H      -6.534711     -2.054429      4.357165
  H       0.480461     -6.039696      5.371245
  H       1.047204     -5.509531      7.699038
  H      -0.561023     -4.262845      9.145125
  H      -2.775970     -3.631274      8.288399
  H      -5.369809     -3.036728      5.939004
  N      -5.318998     -5.157728      2.203785
  H      -6.200755     -4.738360      1.861816
73
Coordinates from ORCA-job orca E -7298.155274558252
  N      -3.100159     -4.050146      1.580949
  C      -3.450945     -4.947387      0.475293
  C      -3.879775     -6.284557      1.045081
  N      -3.181674     -6.555939      2.279822
  C      -3.590458     -7.786359      3.040800
  C      -4.053051     -7.468970      4.475866
  N      -4.676160     -6.163192      4.492655
  Mo     -3.715983     -4.669937      3.489897
  N      -1.929727     -5.352075      4.183027
  C      -1.015132     -6.145421      3.354264
  C      -1.705288     -6.521046      2.058693
  H      -0.709826     -7.040736      3.919025
  H      -0.100594     -5.573165      3.131110
  H      -1.377593     -7.499414      1.679148
  H      -1.480262     -5.766861      1.304168
  H      -4.750833     -8.255315      4.795609
  H      -3.192652     -7.485164      5.164340
  H      -4.367056     -8.300003      2.459265
  H      -2.719392     -8.452910      3.099085
  H      -2.622947     -5.088185     -0.236626
  H      -4.283317     -4.482367     -0.076779
  H      -3.756099     -7.089579      0.291805
  H      -4.994598     -6.341333      1.355368
  C      -2.453307     -2.898185      1.314314
  C      -2.011481     -2.463384      0.038162
  C      -1.460862     -1.204185     -0.094730
  C      -1.351570     -0.323323      1.009514
  C      -1.759384     -0.729188      2.260324
  C      -2.271103     -2.036572      2.437067
  N      -2.711893     -2.534106      3.636716
  C      -2.230234     -2.045750      4.769606
  C      -0.883430     -1.582552      5.079456
  O      -0.569814     -0.987622      6.077624
  Cl      0.432728     -2.222453      3.982849
  C      -5.903964     -5.933586      5.007003
  C      -6.648396     -6.798389      5.844141
  C      -7.915713     -6.429627      6.254914
  C      -8.489326     -5.210471      5.831026
  C      -7.782335     -4.347038      5.010425
  C      -6.477996     -4.685424      4.614205
  N      -5.693880     -3.908120      3.741509
  C      -6.004600     -2.583138      3.565379
  C      -5.713886     -1.867488      2.381720
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  Cl     -5.926020     -0.055697      2.682536
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  C      -0.271052     -5.572527      6.004982
  C       0.054080     -5.256235      7.309472
  C      -0.853979     -4.552630      8.130987
  C      -2.102637     -4.206148      7.658813
  C      -2.480748     -4.564358      6.345180
  N      -3.664017     -4.209348      5.740082
  C      -4.723027     -3.751246      6.404496
  C      -5.164995     -4.239183      7.708253
  O      -4.769382     -5.178390      8.351512
  Cl     -6.576310     -3.262320      8.278798
  H      -2.147680     -3.095968     -0.836833
  H      -1.149322     -0.860172     -1.082010
  H      -0.980033      0.689728      0.858155
  H      -1.736839     -0.043812      3.107677
  H      -2.863149     -2.062180      5.654654
  H      -6.209035     -7.734323      6.186589
  H      -8.476173     -7.086177      6.920732
  H      -9.495750     -4.944634      6.153889
  H      -8.228847     -3.417784      4.658131
  H      -6.553378     -2.070486      4.353816
  H       0.470658     -6.050790      5.369664
  H       1.042019     -5.512495      7.692895
  H      -0.558958     -4.255372      9.137256
  H      -2.773443     -3.619315      8.281270
  H      -5.360564     -3.016983      5.927164
  N      -5.332666     -5.117411      2.223376
  H      -6.180798     -4.641388      1.878554
73
Coordinates from ORCA-job orca E -7298.163352815690
  N      -3.095252     -4.054665      1.590847
  C      -3.440984     -4.946973      0.474963
  C      -3.876141     -6.294188      1.028137
  N      -3.180287     -6.567787      2.275151
  C      -3.602160     -7.795786      3.030064
  C      -4.054122     -7.478579      4.468672
  N      -4.667039     -6.164304      4.495214
  Mo     -3.722330     -4.675194      3.481012
  N      -1.933324     -5.357974      4.178559
  C      -1.016334     -6.159995      3.359373
  C      -1.702668     -6.538352      2.063812
  H      -0.716920     -7.053612      3.929746
  H      -0.098745     -5.591421      3.139122
  H      -1.376477     -7.519057      1.688300
  H      -1.473025     -5.788009      1.305960
  H      -4.757319     -8.258625      4.790526
  H      -3.190767     -7.504700      5.153007
  H      -4.389829     -8.295636      2.451431
  H      -2.741435     -8.476549      3.080534
  H      -2.607442     -5.080934     -0.231646
  H      -4.266523     -4.473389     -0.080570
  H      -3.759898     -7.095007      0.272063
  H      -4.966299     -6.321141      1.340612
  C      -2.445745     -2.902701      1.319665
  C      -2.001537     -2.474225      0.042811
  C      -1.455705     -1.212959     -0.096088
  C      -1.353411     -0.325618      1.003472
  C      -1.762666     -0.726395      2.255926
  C      -2.268735     -2.034809      2.438168
  N      -2.709971     -2.527596      3.640157
  C      -2.227181     -2.035328      4.769642
  C      -0.879249     -1.565503      5.074370
  O      -0.569612     -0.960003      6.067230
  Cl      0.436777     -2.214405      3.986590
  C      -5.895912     -5.942648      5.013682
  C      -6.638556     -6.811803      5.847301
  C      -7.905535     -6.443415      6.260565
  C      -8.480229     -5.222693      5.842221
  C      -7.775320     -4.355872      5.023405
  C      -6.471379     -4.693490      4.626111
  N      -5.685191     -3.914868      3.747766
  C      -6.015631     -2.587834      3.574480
  C      -5.733843     -1.854515      2.404726
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  Cl     -5.987766     -0.050506      2.724437
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  C      -0.277690     -5.579600      6.005210
  C       0.047310     -5.259109      7.309061
  C      -0.857839     -4.548465      8.128184
  C      -2.104353     -4.199001      7.653774
  C      -2.483023     -4.561017      6.340682
  N      -3.663958     -4.201911      5.733805
  C      -4.723654     -3.737522      6.392052
  C      -5.173831     -4.216929      7.695222
  O      -4.787946     -5.154508      8.346121
  Cl     -6.588174     -3.233062      8.251302
  H      -2.131675     -3.111677     -0.829443
  H      -1.143052     -0.873258     -1.084581
  H      -0.986377      0.688610      0.848051
  H      -1.745887     -0.035745      3.099280
  H      -2.855931     -2.052367      5.657673
  H      -6.199822     -7.749185      6.186505
  H      -8.466139     -7.101657      6.924819
  H      -9.486162     -4.959193      6.168768
  H      -8.222118     -3.425068      4.675702
  H      -6.575799     -2.095952      4.366980
  H       0.464086     -6.063602      5.374325
  H       1.034129     -5.517139      7.694588
  H      -0.560826     -4.249077      9.133342
  H      -2.774881     -3.607212      8.271994
  H      -5.354767     -3.002179      5.906880
  N      -5.335243     -5.074953      2.248193
  H      -6.138437     -4.559624      1.859528
73
Coordinates from ORCA-job orca E -7298.172157088487
  N      -3.089050     -4.058580      1.591953
  C      -3.431137     -4.945908      0.473358
  C      -3.881999     -6.300854      1.008527
  N      -3.183999     -6.574821      2.272185
  C      -3.615820     -7.802341      3.022287
  C      -4.056798     -7.493940      4.466026
  N      -4.664117     -6.177149      4.506056
  Mo     -3.729436     -4.676999      3.476046
  N      -1.930419     -5.361844      4.177426
  C      -1.017925     -6.169561      3.362409
  C      -1.706475     -6.547638      2.067982
  H      -0.721347     -7.062905      3.934660
  H      -0.098550     -5.603954      3.141476
  H      -1.380040     -7.529994      1.695629
  H      -1.477029     -5.800706      1.306473
  H      -4.763090     -8.271671      4.786507
  H      -3.190131     -7.530230      5.145573
  H      -4.413766     -8.288579      2.446305
  H      -2.763080     -8.494034      3.061825
  H      -2.586746     -5.068556     -0.221481
  H      -4.250899     -4.473220     -0.091202
  H      -3.767043     -7.096323      0.249389
  H      -4.963439     -6.301588      1.313077
  C      -2.438275     -2.907513      1.324700
  C      -1.988290     -2.479420      0.049061
  C      -1.447912     -1.215916     -0.089700
  C      -1.355160     -0.324960      1.007371
  C      -1.768376     -0.723710      2.258984
  C      -2.268951     -2.033729      2.442443
  N      -2.711342     -2.521607      3.643614
  C      -2.229618     -2.034250      4.775420
  C      -0.880676     -1.566080      5.081865
  O      -0.579380     -0.955104      6.073453
  Cl      0.436322     -2.221348      3.999197
  C      -5.894467     -5.955596      5.020188
  C      -6.641042     -6.828327      5.846615
  C      -7.910303     -6.461392      6.256501
  C      -8.484198     -5.241641      5.841054
  C      -7.777294     -4.370339      5.026902
  C      -6.472689     -4.705384      4.636219
  N      -5.683456     -3.920301      3.754839
  C      -6.030228     -2.597037      3.577911
  C      -5.739389     -1.864511      2.410394
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  C      -1.542296     -5.203202      5.481252
  C      -0.281049     -5.579747      6.004313
  C       0.046847     -5.253947      7.307245
  C      -0.853409     -4.536314      8.122740
  C      -2.099345     -4.184304      7.645436
  C      -2.478353     -4.551382      6.335806
  N      -3.662425     -4.186059      5.731450
  C      -4.710349     -3.713696      6.394303
  C      -5.149577     -4.183275      7.708391
  O      -4.759375     -5.117109      8.357541
  Cl     -6.549026     -3.182405      8.274166
  H      -2.109465     -3.118295     -0.823256
  H      -1.131726     -0.877727     -1.077634
  H      -0.992124      0.690596      0.850852
  H      -1.759202     -0.029920      3.099883
  H      -2.857924     -2.056040      5.663373
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  H      -8.473294     -7.122245      6.916231
  H      -9.491522     -4.980576      6.165330
  H      -8.225129     -3.439172      4.682187
  H      -6.608068     -2.119390      4.365555
  H       0.458440     -6.070429      5.375944
  H       1.033094     -5.513984      7.693074
  H      -0.554489     -4.233395      9.126268
  H      -2.769097     -3.587250      8.259788
  H      -5.338011     -2.973680      5.911753
  N      -5.366729     -5.030828      2.258967
  H      -6.113331     -4.479450      1.818723
73
Coordinates from ORCA-job orca E -7298.180875153813
  N      -3.088672     -4.062585      1.601697
  C      -3.435177     -4.943725      0.480243
  C      -3.895307     -6.308265      1.001072
  N      -3.186867     -6.577853      2.276688
  C      -3.625262     -7.805988      3.021183
  C      -4.055879     -7.505019      4.468912
  N      -4.658077     -6.186222      4.515993
  Mo     -3.729442     -4.674620      3.479004
  N      -1.919350     -5.364136      4.176424
  C      -1.014762     -6.178091      3.361309
  C      -1.711538     -6.555431      2.069807
  H      -0.721279     -7.072348      3.933760
  H      -0.093674     -5.616413      3.136748
  H      -1.386486     -7.539652      1.700017
  H      -1.484085     -5.813049      1.303075
  H      -4.765869     -8.278776      4.790269
  H      -3.186571     -7.548007      5.144657
  H      -4.435062     -8.278798      2.450883
  H      -2.780447     -8.508212      3.048800
  H      -2.584420     -5.054346     -0.208440
  H      -4.253075     -4.470876     -0.086957
  H      -3.772904     -7.098058      0.240645
  H      -4.964732     -6.285504      1.300956
  C      -2.435598     -2.912484      1.332387
  C      -1.985096     -2.486715      0.055947
  C      -1.445265     -1.223125     -0.086237
  C      -1.352547     -0.329263      1.007630
  C      -1.765342     -0.724979      2.260460
  C      -2.265205     -2.034603      2.447425
  N      -2.707141     -2.516080      3.649764
  C      -2.221544     -2.026316      4.778868
  C      -0.869912     -1.557346      5.074537
  O      -0.568007     -0.933239      6.057559
  Cl      0.439218     -2.222827      3.990020
  C      -5.890821     -5.964470      5.025173
  C      -6.640436     -6.838523      5.847008
  C      -7.912206     -6.472353      6.252483
  C      -8.485098     -5.254909      5.836004
  C      -7.775545     -4.381319      5.023891
  C      -6.470958     -4.715138      4.640764
  N      -5.675034     -3.923941      3.756158
  C      -6.041618     -2.602069      3.580858
  C      -5.746000     -1.860026      2.422718
  O      -5.373843     -2.212210      1.317835
  Cl     -6.070267     -0.065818      2.723975
  C      -1.536903     -5.199296      5.480199
  C      -0.277551     -5.577391      6.005875
  C       0.050527     -5.248778      7.308626
  C      -0.847529     -4.526971      8.121235
  C      -2.093079     -4.173856      7.641135
  C      -2.471792     -4.544362      6.333696
  N      -3.660620     -4.175755      5.731051
  C      -4.708585     -3.705539      6.391482
  C      -5.154693     -4.178134      7.705117
  O      -4.770534     -5.115199      8.350362
  Cl     -6.563033     -3.180495      8.258434
  H      -2.104038     -3.125876     -0.816273
  H      -1.128791     -0.888312     -1.075264
  H      -0.989199      0.685912      0.848877
  H      -1.755937     -0.028587      3.099219
  H      -2.846885     -2.043096      5.668591
  H      -6.207040     -7.778049      6.187210
  H      -8.477627     -7.134409      6.909079
  H      -9.494151     -4.995243      6.156180
  H      -8.225589     -3.451406      4.679526
  H      -6.637524     -2.146013      4.366336
  H       0.461610     -6.072060      5.380166
  H       1.036042     -5.510124      7.695630
  H      -0.548018     -4.221841      9.123916
  H      -2.762752     -3.573383      8.252012
  H      -5.335150     -2.966160      5.904975
  N      -5.386815     -4.981205      2.293646
  H      -6.064721     -4.408833      1.775970
73
Coordinates from ORCA-job orca E -7298.190380958155
  N      -3.088750     -4.064903      1.610649
  C      -3.443811     -4.940436      0.491470
  C      -3.913374     -6.308725      1.004017
  N      -3.193351     -6.575671      2.284868
  C      -3.636381     -7.805859      3.022294
  C      -4.055226     -7.516207      4.473610
  N      -4.652960     -6.197844      4.528634
  Mo     -3.727565     -4.670712      3.487271
  N      -1.904337     -5.363223      4.177043
  C      -1.010923     -6.181823      3.358288
  C      -1.720033     -6.557592      2.071588
  H      -0.718717     -7.077649      3.929219
  H      -0.088745     -5.624372      3.126822
  H      -1.397378     -7.543112      1.702359
  H      -1.495888     -5.818837      1.300771
  H      -4.768394     -8.287850      4.793255
  H      -3.183610     -7.566872      5.145976
  H      -4.458185     -8.264221      2.457715
  H      -2.798924     -8.517579      3.034726
  H      -2.589064     -5.043701     -0.192954
  H      -4.261127     -4.469164     -0.078392
  H      -3.783340     -7.092723      0.241565
  H      -4.977161     -6.265219      1.300442
  C      -2.433553     -2.916169      1.340954
  C      -1.983901     -2.491097      0.063691
  C      -1.444298     -1.227617     -0.081167
  C      -1.349987     -0.332107      1.010147
  C      -1.761017     -0.726598      2.263974
  C      -2.260169     -2.036180      2.453737
  N      -2.700462     -2.512756      3.657186
  C      -2.209754     -2.022790      4.784088
  C      -0.854885     -1.557367      5.070574
  O      -0.549968     -0.923904      6.046597
  Cl      0.446673     -2.241021      3.988952
  C      -5.889472     -5.973864      5.028410
  C      -6.643141     -6.849601      5.844621
  C      -7.919497     -6.487643      6.241407
  C      -8.492977     -5.274878      5.819740
  C      -7.779824     -4.399126      5.010013
  C      -6.473629     -4.728734      4.639138
  N      -5.672009     -3.930232      3.751884
  C      -6.054963     -2.609531      3.572142
  C      -5.751772     -1.864750      2.418962
  O      -5.355736     -2.214807      1.320745
  Cl     -6.108367     -0.076418      2.708260
  C      -1.527626     -5.192444      5.479618
  C      -0.268891     -5.571127      6.007016
  C       0.059331     -5.241458      7.309610
  C      -0.838055     -4.518474      8.120787
  C      -2.083928     -4.165380      7.638937
  C      -2.461915     -4.537181      6.333052
  N      -3.655530     -4.165867      5.733467
  C      -4.703264     -3.696477      6.391733
  C      -5.151474     -4.167130      7.708965
  O      -4.765915     -5.102141      8.354372
  Cl     -6.561014     -3.166814      8.255061
  H      -2.102317     -3.129564     -0.809020
  H      -1.128862     -0.895269     -1.071360
  H      -0.986366      0.682701      0.849698
  H      -1.750527     -0.028904      3.101574
  H      -2.832560     -2.034672      5.675205
  H      -6.210736     -7.787987      6.189326
  H      -8.486959     -7.151689      6.894279
  H      -9.505245     -5.017627      6.131602
  H      -8.233693     -3.472488      4.662742
  H      -6.667082     -2.169013      4.352399
  H       0.469766     -6.067798      5.382181
  H       1.044638     -5.503408      7.696747
  H      -0.539005     -4.212316      9.123238
  H      -2.753992     -3.564163      8.248565
  H      -5.329840     -2.958158      5.902018
  N      -5.412509     -4.926062      2.340371
  H      -6.014057     -4.335795      1.751509
73
Coordinates from ORCA-job orca E -7298.201352591412
  N      -3.096272     -4.057592      1.631751
  C      -3.471663     -4.925738      0.515195
  C      -3.937725     -6.279395      1.048480
  N      -3.206838     -6.559147      2.304728
  C      -3.645448     -7.796198      3.032285
  C      -4.049531     -7.509701      4.483690
  N      -4.641691     -6.187315      4.533189
  Mo     -3.719277     -4.670954      3.507183
  N      -1.896632     -5.351548      4.179445
  C      -1.006344     -6.170983      3.355330
  C      -1.729638     -6.546196      2.075947
  H      -0.709974     -7.066708      3.925097
  H      -0.084976     -5.617056      3.113370
  H      -1.417503     -7.531273      1.698139
  H      -1.506581     -5.804134      1.307525
  H      -4.763761     -8.280376      4.803508
  H      -3.176954     -7.563929      5.154942
  H      -4.474929     -8.245677      2.471078
  H      -2.811974     -8.512485      3.028054
  H      -2.634660     -5.050520     -0.188677
  H      -4.290003     -4.441206     -0.043538
  H      -3.820520     -7.061760      0.279233
  H      -4.995224     -6.231229      1.361523
  C      -2.436637     -2.909943      1.353552
  C      -1.998184     -2.490112      0.073010
  C      -1.450233     -1.229658     -0.076826
  C      -1.338611     -0.335799      1.015763
  C      -1.740755     -0.730409      2.273336
  C      -2.247383     -2.036925      2.464482
  N      -2.684404     -2.520503      3.671530
  C      -2.181377     -2.029991      4.792813
  C      -0.824656     -1.558676      5.061908
  O      -0.498651     -0.921908      6.029705
  Cl      0.462087     -2.228687      3.954918
  C      -5.889807     -5.974292      5.030704
  C      -6.634954     -6.848778      5.854723
  C      -7.919383     -6.499055      6.241824
  C      -8.507144     -5.298478      5.799778
  C      -7.798830     -4.427826      4.978597
  C      -6.489338     -4.750032      4.618633
  N      -5.686557     -3.957327      3.718003
  C      -6.055126     -2.612679      3.516743
  C      -5.761330     -1.883115      2.359382
  O      -5.382187     -2.234999      1.247624
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  C      -0.250579     -5.564417      6.008096
  C       0.074844     -5.240228      7.311739
  C      -0.828216     -4.525172      8.128645
  C      -2.074447     -4.175694      7.651131
  C      -2.452375     -4.541930      6.340188
  N      -3.638807     -4.179137      5.737462
  C      -4.704943     -3.715475      6.378609
  C      -5.171761     -4.182601      7.682535
  O      -4.794283     -5.116461      8.341748
  Cl     -6.608859     -3.207631      8.193973
  H      -2.131236     -3.129016     -0.797710
  H      -1.142774     -0.898638     -1.069975
  H      -0.969787      0.676806      0.853594
  H      -1.718187     -0.035322      3.113145
  H      -2.793292     -2.043116      5.693128
  H      -6.188716     -7.775391      6.213488
  H      -8.479913     -7.161403      6.902250
  H      -9.523344     -5.047026      6.103178
  H      -8.259089     -3.510617      4.612496
  H      -6.643656     -2.150439      4.303203
  H       0.489426     -6.054382      5.379037
  H       1.061284     -5.499156      7.698241
  H      -0.530636     -4.223114      9.132866
  H      -2.746357     -3.581395      8.265544
  H      -5.332299     -2.988603      5.873257
  N      -5.415585     -4.874688      2.430359
  H      -5.985127     -4.286295      1.809306
73
Coordinates from ORCA-job orca E -7298.210859190336
  N      -3.100834     -4.054115      1.649741
  C      -3.493166     -4.914932      0.537629
  C      -3.961584     -6.256228      1.083809
  N      -3.221576     -6.546151      2.322140
  C      -3.660124     -7.788743      3.038959
  C      -4.046188     -7.510283      4.492168
  N      -4.632043     -6.185224      4.543607
  Mo     -3.714450     -4.671298      3.525307
  N      -1.886374     -5.341448      4.181034
  C      -1.003138     -6.163711      3.351700
  C      -1.741817     -6.538489      2.080333
  H      -0.703633     -7.059528      3.920441
  H      -0.082107     -5.614504      3.098235
  H      -1.438812     -7.523624      1.696240
  H      -1.520567     -5.795171      1.312589
  H      -4.762171     -8.279987      4.810941
  H      -3.171176     -7.571717      5.160017
  H      -4.500833     -8.224012      2.482868
  H      -2.833873     -8.512949      3.014400
  H      -2.667770     -5.055234     -0.177678
  H      -4.310690     -4.421447     -0.016020
  H      -3.853295     -7.034913      0.308047
  H      -5.012799     -6.195868      1.406833
  C      -2.436928     -2.908060      1.366346
  C      -2.006286     -2.492188      0.083394
  C      -1.453435     -1.233594     -0.071003
  C      -1.330235     -0.339935      1.021271
  C      -1.725656     -0.734375      2.281668
  C      -2.236220     -2.039113      2.474911
  N      -2.670631     -2.525916      3.684817
  C      -2.157343     -2.035444      4.801264
  C      -0.798274     -1.562135      5.055820
  O      -0.456539     -0.920213      6.015274
  Cl      0.476435     -2.237352      3.938582
  C      -5.890907     -5.979241      5.033869
  C      -6.632337     -6.854038      5.860054
  C      -7.924636     -6.515856      6.235765
  C      -8.522717     -5.326100      5.777089
  C      -7.815814     -4.458060      4.949646
  C      -6.503053     -4.772551      4.603212
  N      -5.697309     -3.980173      3.693633
  C      -6.058541     -2.617875      3.473968
  C      -5.764939     -1.898628      2.316065
  O      -5.388531     -2.250853      1.197192
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  C      -1.495518     -5.179726      5.481951
  C      -0.232388     -5.552937      6.006901
  C       0.092371     -5.231006      7.310436
  C      -0.814340     -4.521512      8.131535
  C      -2.061814     -4.176274      7.657950
  C      -2.440866     -4.540341      6.344593
  N      -3.624375     -4.184428      5.741700
  C      -4.704438     -3.726275      6.368667
  C      -5.185609     -4.189795      7.664200
  O      -4.811104     -5.119826      8.335315
  Cl     -6.641735     -3.232664      8.147351
  H      -2.148800     -3.131677     -0.785714
  H      -1.151905     -0.904359     -1.066556
  H      -0.958555      0.671224      0.857010
  H      -1.695360     -0.040624      3.122517
  H      -2.760687     -2.047467      5.708322
  H      -6.176295     -7.771251      6.230605
  H      -8.481203     -7.178219      6.899428
  H      -9.543157     -5.080183      6.070336
  H      -8.281436     -3.548928      4.568848
  H      -6.636827     -2.144658      4.261397
  H       0.507888     -6.038587      5.374432
  H       1.080333     -5.486621      7.695359
  H      -0.517194     -4.220882      9.136340
  H      -2.734601     -3.586962      8.276103
  H      -5.333135     -3.009640      5.850026
  N      -5.428953     -4.815545      2.515899
  H      -5.937570     -4.215236      1.854659
73
Coordinates from ORCA-job orca E -7298.215640193943
  N      -3.097275     -4.060893      1.646740
  C      -3.482404     -4.922551      0.535946
  C      -3.958618     -6.261725      1.075205
  N      -3.228171     -6.552465      2.319822
  C      -3.677792     -7.792295      3.032636
  C      -4.048112     -7.517054      4.489757
  N      -4.631964     -6.191406      4.551799
  Mo     -3.723799     -4.674071      3.520381
  N      -1.888706     -5.340019      4.178082
  C      -1.009861     -6.172626      3.355950
  C      -1.747524     -6.550129      2.085702
  H      -0.715900     -7.066717      3.930418
  H      -0.085048     -5.630627      3.100330
  H      -1.446156     -7.537711      1.706400
  H      -1.521556     -5.811279      1.315310
  H      -4.763043     -8.286444      4.812020
  H      -3.167219     -7.583002      5.149483
  H      -4.529918     -8.211720      2.481877
  H      -2.862542     -8.528569      2.995700
  H      -2.649792     -5.063542     -0.170283
  H      -4.294045     -4.430541     -0.028169
  H      -3.847748     -7.038239      0.298644
  H      -5.003690     -6.186867      1.389098
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  C      -1.989997     -2.507831      0.081994
  C      -1.436456     -1.249891     -0.075424
  C      -1.319641     -0.350772      1.012620
  C      -1.722073     -0.739490      2.272584
  C      -2.233261     -2.043439      2.469265
  N      -2.674749     -2.521865      3.678958
  C      -2.164498     -2.029311      4.794510
  C      -0.806454     -1.551128      5.048705
  O      -0.471116     -0.894478      6.000178
  Cl      0.471100     -2.227907      3.936706
  C      -5.894681     -5.988623      5.033355
  C      -6.637902     -6.869757      5.851729
  C      -7.931504     -6.536220      6.226444
  C      -8.530106     -5.344502      5.774900
  C      -7.822420     -4.469908      4.955087
  C      -6.508821     -4.780457      4.609467
  N      -5.702873     -3.978085      3.705112
  C      -6.063966     -2.611556      3.506149
  C      -5.757662     -1.871189      2.365364
  O      -5.363754     -2.201666      1.245964
  Cl     -6.079505     -0.081155      2.680462
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  C      -0.233213     -5.539523      6.001703
  C       0.094512     -5.210372      7.302588
  C      -0.810212     -4.496415      8.121787
  C      -2.058651     -4.153832      7.648630
  C      -2.439586     -4.523943      6.337780
  N      -3.626647     -4.173776      5.738163
  C      -4.709256     -3.726815      6.366575
  C      -5.184327     -4.194835      7.664583
  O      -4.799213     -5.121181      8.333854
  Cl     -6.651032     -3.254248      8.146034
  H      -2.126475     -3.151414     -0.785024
  H      -1.129208     -0.925878     -1.070924
  H      -0.947406      0.659660      0.845405
  H      -1.697423     -0.041667      3.110256
  H      -2.768435     -2.039937      5.700990
  H      -6.181383     -7.788321      6.218264
  H      -8.488500     -7.203967      6.884323
  H      -9.551317     -5.101537      6.067800
  H      -8.289040     -3.558838      4.580699
  H      -6.650077     -2.155472      4.297252
  H       0.505307     -6.029957      5.370987
  H       1.083259     -5.464350      7.686519
  H      -0.511352     -4.190768      9.124521
  H      -2.730508     -3.562234      8.265458
  H      -5.346330     -3.016880      5.848611
  N      -5.447857     -4.797329      2.526438
  H      -5.865771     -4.139058      1.858094
73
Coordinates from ORCA-job orca E -7298.221975922315
  N      -3.104803     -4.060772      1.648877
  C      -3.485092     -4.925240      0.534748
  C      -3.958820     -6.263299      1.079807
  N      -3.232972     -6.547445      2.324015
  C      -3.694018     -7.788841      3.024208
  C      -4.047223     -7.513785      4.482708
  N      -4.630066     -6.186339      4.544915
  Mo     -3.723729     -4.669527      3.521395
  N      -1.885543     -5.328888      4.174265
  C      -1.011247     -6.174056      3.359854
  C      -1.750297     -6.555319      2.091297
  H      -0.725642     -7.066664      3.941275
  H      -0.081522     -5.642158      3.101237
  H      -1.453664     -7.546307      1.717613
  H      -1.516900     -5.822495      1.316989
  H      -4.759195     -8.282143      4.813473
  H      -3.160562     -7.577957      5.134791
  H      -4.560818     -8.186331      2.479846
  H      -2.893829     -8.540367      2.970821
  H      -2.649639     -5.070253     -0.168173
  H      -4.292316     -4.434870     -0.037638
  H      -3.834619     -7.044345      0.309112
  H      -5.004688     -6.183725      1.389177
  C      -2.431068     -2.919104      1.361914
  C      -1.989967     -2.516772      0.079228
  C      -1.430008     -1.261539     -0.082673
  C      -1.309408     -0.359575      1.002904
  C      -1.712850     -0.744145      2.264337
  C      -2.227233     -2.046273      2.464674
  N      -2.675103     -2.521895      3.675953
  C      -2.170303     -2.022118      4.791361
  C      -0.813663     -1.540335      5.048260
  O      -0.481163     -0.871217      5.992334
  Cl      0.472519     -2.248090      3.966942
  C      -5.896617     -5.988627      5.030165
  C      -6.632914     -6.872601      5.851226
  C      -7.926099     -6.543476      6.234125
  C      -8.529684     -5.351933      5.787966
  C      -7.826062     -4.474250      4.966351
  C      -6.514982     -4.782574      4.614658
  N      -5.711983     -3.979651      3.698267
  C      -6.064879     -2.597876      3.513650
  C      -5.765919     -1.854345      2.378094
  O      -5.381235     -2.180504      1.249837
  Cl     -6.079112     -0.066280      2.702211
  C      -1.492981     -5.154225      5.471649
  C      -0.229948     -5.524237      6.000711
  C       0.092228     -5.197568      7.303326
  C      -0.818806     -4.489437      8.122701
  C      -2.066448     -4.150371      7.646979
  C      -2.440901     -4.516447      6.332061
  N      -3.626245     -4.175950      5.730838
  C      -4.718581     -3.747285      6.358413
  C      -5.184134     -4.221250      7.654340
  O      -4.781107     -5.139135      8.327723
  Cl     -6.657291     -3.296780      8.145442
  H      -2.129910     -3.162174     -0.785998
  H      -1.121727     -0.942329     -1.079376
  H      -0.933224      0.648960      0.833304
  H      -1.686095     -0.044376      3.100367
  H      -2.780738     -2.024462      5.694640
  H      -6.171672     -7.790307      6.213869
  H      -8.477689     -7.214462      6.893179
  H      -9.549907     -5.110682      6.085502
  H      -8.296576     -3.563707      4.594826
  H      -6.636618     -2.143066      4.315843
  H       0.511074     -6.012069      5.370567
  H       1.080221     -5.449919      7.690327
  H      -0.524920     -4.186938      9.127876
  H      -2.744218     -3.565287      8.264150
  H      -5.364752     -3.045116      5.841928
  N      -5.445694     -4.771727      2.548021
  H      -5.755986     -4.103536      1.829381
73
Coordinates from ORCA-job orca E -7298.227156244458
  N      -3.103297     -4.060506      1.640503
  C      -3.476631     -4.926060      0.527460
  C      -3.954411     -6.257986      1.073774
  N      -3.241127     -6.542545      2.320368
  C      -3.719204     -7.783752      3.007747
  C      -4.046296     -7.516517      4.471585
  N      -4.629057     -6.190832      4.547781
  Mo     -3.726306     -4.666908      3.521115
  N      -1.884157     -5.324566      4.174087
  C      -1.019202     -6.184477      3.367452
  C      -1.756331     -6.562017      2.097024
  H      -0.746778     -7.078134      3.953935
  H      -0.081336     -5.666962      3.108802
  H      -1.465254     -7.555850      1.726921
  H      -1.511958     -5.833272      1.322737
  H      -4.752225     -8.287639      4.809573
  H      -3.149463     -7.583336      5.109342
  H      -4.604063     -8.151331      2.471611
  H      -2.938596     -8.553640      2.930653
  H      -2.634231     -5.074519     -0.166350
  H      -4.278165     -4.441743     -0.058531
  H      -3.821566     -7.041467      0.306504
  H      -5.010484     -6.173996      1.371408
  C      -2.424470     -2.921537      1.358117
  C      -1.975939     -2.522016      0.077050
  C      -1.410977     -1.268964     -0.084120
  C      -1.291486     -0.366220      1.000527
  C      -1.700821     -0.749009      2.260606
  C      -2.219112     -2.049718      2.460534
  N      -2.676322     -2.520465      3.669997
  C      -2.179865     -2.017871      4.787340
  C      -0.827993     -1.526432      5.049041
  O      -0.505253     -0.839576      5.983616
  Cl      0.468793     -2.236759      3.981676
  C      -5.896606     -5.992727      5.033136
  C      -6.628431     -6.881109      5.854214
  C      -7.919561     -6.556368      6.247563
  C      -8.526642     -5.362997      5.812520
  C      -7.827484     -4.480450      4.991639
  C      -6.518954     -4.785429      4.631422
  N      -5.726693     -3.978908      3.706109
  C      -6.070539     -2.592134      3.529485
  C      -5.772398     -1.859018      2.387151
  O      -5.391724     -2.199912      1.261201
  Cl     -6.071133     -0.067306      2.695642
  C      -1.493667     -5.143760      5.469447
  C      -0.231163     -5.514616      6.000935
  C       0.091403     -5.183421      7.301777
  C      -0.819288     -4.470725      8.117936
  C      -2.066607     -4.132744      7.640886
  C      -2.441375     -4.503768      6.327454
  N      -3.628614     -4.169531      5.727682
  C      -4.724641     -3.752706      6.356508
  C      -5.188065     -4.236813      7.650498
  O      -4.785795     -5.164807      8.310845
  Cl     -6.674483     -3.335288      8.137600
  H      -2.114197     -3.168160     -0.787917
  H      -1.097701     -0.952379     -1.080014
  H      -0.911594      0.640803      0.831109
  H      -1.676175     -0.048817      3.096254
  H      -2.796346     -2.018526      5.686459
  H      -6.163381     -7.799918      6.208949
  H      -8.465627     -7.232673      6.905587
  H      -9.545046     -5.122955      6.116742
  H      -8.301432     -3.568594      4.627831
  H      -6.631953     -2.131767      4.335650
  H       0.508210     -6.006029      5.371737
  H       1.079149     -5.435402      7.689337
  H      -0.526109     -4.164003      9.121917
  H      -2.743118     -3.545115      8.256761
  H      -5.375939     -3.052421      5.844518
  N      -5.464396     -4.755434      2.550409
  H      -5.675876     -4.045643      1.832120
73
Coordinates from ORCA-job orca E -7298.231718307884
  N      -3.105766     -4.064326      1.636537
  C      -3.473534     -4.929999      0.519691
  C      -3.950936     -6.262007      1.065361
  N      -3.245130     -6.541206      2.319261
  C      -3.738377     -7.780874      2.997472
  C      -4.038785     -7.515379      4.466313
  N      -4.625353     -6.191242      4.548665
  Mo     -3.726291     -4.663283      3.522141
  N      -1.882639     -5.324267      4.173552
  C      -1.026166     -6.199893      3.375398
  C      -1.760248     -6.572350      2.102154
  H      -0.769098     -7.094861      3.966916
  H      -0.079587     -5.697245      3.119011
  H      -1.474308     -7.568836      1.735398
  H      -1.506729     -5.847195      1.327083
  H      -4.736150     -8.288279      4.817594
  H      -3.131362     -7.577108      5.089259
  H      -4.642351     -8.118779      2.474238
  H      -2.979260     -8.569606      2.898068
  H      -2.624575     -5.077317     -0.166568
  H      -4.270169     -4.449811     -0.076284
  H      -3.805889     -7.050624      0.306010
  H      -5.008520     -6.177170      1.353909
  C      -2.422922     -2.926934      1.352887
  C      -1.970628     -2.533010      0.071578
  C      -1.401334     -1.282149     -0.093146
  C      -1.281414     -0.376173      0.988288
  C      -1.694172     -0.754067      2.248857
  C      -2.214745     -2.053195      2.452686
  N      -2.678828     -2.517322      3.662548
  C      -2.192036     -2.005547      4.779710
  C      -0.846100     -1.499057      5.044300
  O      -0.535711     -0.794869      5.969934
  Cl      0.464859     -2.225219      4.005771
  C      -5.900266     -6.004814      5.021302
  C      -6.630313     -6.903281      5.833071
  C      -7.925854     -6.590830      6.222043
  C      -8.538240     -5.397898      5.794164
  C      -7.839792     -4.504569      4.983878
  C      -6.528679     -4.799498      4.628034
  N      -5.737147     -3.978410      3.711881
  C      -6.071915     -2.582863      3.574484
  C      -5.778920     -1.835162      2.442556
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  C      -0.235292     -5.518691      6.004379
  C       0.087524     -5.184335      7.304153
  C      -0.820005     -4.462551      8.116138
  C      -2.064634     -4.119336      7.636098
  C      -2.440535     -4.494412      6.324002
  N      -3.627472     -4.158674      5.724452
  C      -4.718145     -3.733158      6.357448
  C      -5.172539     -4.205023      7.659125
  O      -4.766201     -5.127676      8.324859
  Cl     -6.621879     -3.261956      8.176982
  H      -2.109081     -3.181192     -0.791729
  H      -1.085501     -0.970198     -1.089667
  H      -0.898873      0.629370      0.816267
  H      -1.670384     -0.050822      3.081895
  H      -2.815252     -2.002157      5.674164
  H      -6.160791     -7.821181      6.184074
  H      -8.470392     -7.276521      6.871506
  H      -9.559320     -5.165634      6.095272
  H      -8.317311     -3.592357      4.625777
  H      -6.622122     -2.136506      4.395780
  H       0.501630     -6.016711      5.377500
  H       1.073326     -5.440377      7.693914
  H      -0.526329     -4.153000      9.119080
  H      -2.738668     -3.525313      8.248752
  H      -5.363933     -3.024610      5.850743
  N      -5.471445     -4.748583      2.556218
  H      -5.594164     -4.021604      1.828600
73
Coordinates from ORCA-job orca E -7298.236134821059
  N      -3.103535     -4.061831      1.627687
  C      -3.466506     -4.925567      0.506991
  C      -3.946721     -6.254569      1.052583
  N      -3.251896     -6.532320      2.313125
  C      -3.765311     -7.770489      2.979206
  C      -4.029976     -7.510817      4.455126
  N      -4.620003     -6.188839      4.547734
  Mo     -3.723847     -4.656964      3.521654
  N      -1.881274     -5.322198      4.173404
  C      -1.036317     -6.216511      3.384860
  C      -1.766059     -6.578280      2.106029
  H      -0.799896     -7.114376      3.980704
  H      -0.078305     -5.733403      3.133211
  H      -1.487543     -7.577093      1.740172
  H      -1.500084     -5.854922      1.333173
  H      -4.714798     -8.287316      4.822765
  H      -3.108309     -7.567363      5.056960
  H      -4.692071     -8.068660      2.472458
  H      -3.034910     -8.581815      2.849527
  H      -2.610943     -5.074411     -0.170862
  H      -4.256771     -4.448604     -0.099938
  H      -3.790727     -7.048966      0.301410
  H      -5.009367     -6.171167      1.329045
  C      -2.416917     -2.925459      1.347484
  C      -1.960200     -2.533083      0.067111
  C      -1.387093     -1.283873     -0.097195
  C      -1.268338     -0.377322      0.983400
  C      -1.685317     -0.753763      2.242973
  C      -2.206914     -2.052405      2.447360
  N      -2.677824     -2.513507      3.656120
  C      -2.202012     -1.997612      4.775928
  C      -0.862059     -1.480355      5.049933
  O      -0.566434     -0.760555      5.968080
  Cl      0.466869     -2.232410      4.052840
  C      -5.895481     -6.005014      5.022854
  C      -6.618049     -6.904662      5.840216
  C      -7.910006     -6.593883      6.242502
  C      -8.526747     -5.400054      5.824381
  C      -7.835839     -4.505321      5.008726
  C      -6.528801     -4.799706      4.641094
  N      -5.751431     -3.980121      3.710183
  C      -6.075109     -2.580669      3.580535
  C      -5.792121     -1.852060      2.434809
  O      -5.418832     -2.210759      1.308790
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  C      -1.496927     -5.134505      5.468856
  C      -0.241575     -5.516690      6.010285
  C       0.078552     -5.179767      7.309881
  C      -0.828704     -4.451778      8.116751
  C      -2.070262     -4.104592      7.631790
  C      -2.442848     -4.479951      6.318871
  N      -3.631285     -4.149717      5.719195
  C      -4.726517     -3.744283      6.357259
  C      -5.168205     -4.229204      7.658604
  O      -4.746276     -5.151900      8.314660
  Cl     -6.631787     -3.315579      8.185775
  H      -2.098321     -3.181171     -0.796215
  H      -1.068166     -0.973661     -1.093247
  H      -0.883933      0.627459      0.811420
  H      -1.664136     -0.049275      3.074908
  H      -2.833840     -1.993234      5.664170
  H      -6.144306     -7.822360      6.185865
  H      -8.447396     -7.282086      6.895180
  H      -9.544691     -5.167645      6.135615
  H      -8.316423     -3.592395      4.656447
  H      -6.605539     -2.124762      4.409327
  H       0.493756     -6.021228      5.386772
  H       1.061590     -5.439809      7.703833
  H      -0.537736     -4.141277      9.120154
  H      -2.744380     -3.507718      8.241821
  H      -5.385181     -3.043791      5.856405
  N      -5.483588     -4.733815      2.554882
  H      -5.538745     -3.993641      1.826305
73
Coordinates from ORCA-job orca E -7298.239968348240
  N      -3.101907     -4.062407      1.619164
  C      -3.460749     -4.924879      0.496266
  C      -3.943702     -6.250644      1.042741
  N      -3.258586     -6.524363      2.310505
  C      -3.790830     -7.760002      2.966951
  C      -4.017054     -7.507137      4.449421
  N      -4.613344     -6.189388      4.551126
  Mo     -3.719101     -4.652018      3.525327
  N      -1.877770     -5.322485      4.176423
  C      -1.046492     -6.235374      3.396358
  C      -1.772660     -6.584346      2.111856
  H      -0.832413     -7.136736      3.995448
  H      -0.076789     -5.773063      3.150081
  H      -1.501155     -7.584845      1.745386
  H      -1.495967     -5.861483      1.342197
  H      -4.686262     -8.288575      4.835038
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  H      -2.598333     -5.074669     -0.172778
  H      -4.245440     -4.452236     -0.120938
  H      -3.775296     -7.052097      0.301966
  H      -5.013307     -6.172084      1.307009
  C      -2.413088     -2.926582      1.342249
  C      -1.952500     -2.534865      0.062590
  C      -1.374080     -1.288058     -0.100879
  C      -1.253568     -0.382053      0.979271
  C      -1.674535     -0.757005      2.237837
  C      -2.200702     -2.053869      2.442177
  N      -2.676635     -2.511589      3.650034
  C      -2.208610     -1.991661      4.770837
  C      -0.877019     -1.453757      5.044721
  O      -0.595268     -0.708011      5.945989
  Cl      0.463054     -2.188361      4.048469
  C      -5.893249     -6.012147      5.016972
  C      -6.612043     -6.915825      5.833513
  C      -7.904572     -6.611416      6.238802
  C      -8.525869     -5.418379      5.827417
  C      -7.839068     -4.518869      5.012858
  C      -6.533095     -4.808957      4.641565
  N      -5.765497     -3.982468      3.707951
  C      -6.071913     -2.577724      3.605424
  C      -5.795896     -1.851055      2.456312
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  C      -1.498579     -5.132456      5.472368
  C      -0.248493     -5.523601      6.019491
  C       0.070865     -5.183658      7.318384
  C      -0.832621     -4.444477      8.118766
  C      -2.070437     -4.090196      7.628669
  C      -2.442522     -4.468943      6.317121
  N      -3.632143     -4.138956      5.717193
  C      -4.725384     -3.737633      6.360459
  C      -5.158476     -4.224694      7.664918
  O      -4.732088     -5.150273      8.313534
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  H      -2.091237     -3.182057     -0.801181
  H      -1.052111     -0.979543     -1.096471
  H      -0.865292      0.621268      0.807695
  H      -1.653478     -0.051700      3.068996
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  H      -6.134130     -7.832190      6.176932
  H      -8.437558     -7.304432      6.889957
  H      -9.543340     -5.188921      6.142220
  H      -8.322050     -3.605369      4.665397
  H      -6.577448     -2.122321      4.449524
  H       0.483352     -6.037063      5.399111
  H       1.050580     -5.450090      7.716215
  H      -0.542482     -4.131408      9.121573
  H      -2.741920     -3.486134      8.234756
  H      -5.388016     -3.038066      5.864411
  N      -5.499175     -4.724440      2.556701
  H      -5.511739     -3.982283      1.822167
73
Coordinates from ORCA-job orca E -7298.243127385217
  N      -3.097277     -4.061726      1.609491
  C      -3.447391     -4.921893      0.480174
  C      -3.934075     -6.249705      1.019741
  N      -3.262166     -6.519362      2.301339
  C      -3.814634     -7.749944      2.951408
  C      -4.003230     -7.501226      4.440646
  N      -4.605730     -6.185986      4.551011
  Mo     -3.715444     -4.647355      3.522328
  N      -1.878772     -5.326749      4.176769
  C      -1.058959     -6.258689      3.407752
  C      -1.776926     -6.593446      2.115369
  H      -0.870107     -7.163221      4.010309
  H      -0.077028     -5.817419      3.171240
  H      -1.511205     -7.595429      1.748353
  H      -1.488550     -5.870372      1.349753
  H      -4.654731     -8.286713      4.847345
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  H      -4.785499     -7.964484      2.487852
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  H      -2.576075     -5.068592     -0.177866
  H      -4.224907     -4.450202     -0.146182
  H      -3.753233     -7.056871      0.289279
  H      -5.002995     -6.174935      1.268911
  C      -2.408525     -2.924984      1.335603
  C      -1.944400     -2.533045      0.056633
  C      -1.367262     -1.285798     -0.106788
  C      -1.252379     -0.378094      0.971820
  C      -1.676420     -0.752074      2.229436
  C      -2.198398     -2.050269      2.435324
  N      -2.677103     -2.505784      3.642473
  C      -2.221526     -1.981028      4.765757
  C      -0.896687     -1.431481      5.051423
  O      -0.634316     -0.677909      5.951409
  Cl      0.465027     -2.213760      4.123083
  C      -5.885712     -6.013894      5.016595
  C      -6.598449     -6.918340      5.837684
  C      -7.888111     -6.614797      6.252176
  C      -8.512977     -5.421426      5.848932
  C      -7.833225     -4.520120      5.030506
  C      -6.530127     -4.809670      4.649728
  N      -5.776306     -3.983860      3.704959
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  C      -5.812495     -1.861838      2.455783
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  C      -0.260714     -5.534383      6.027129
  C       0.058364     -5.190115      7.325208
  C      -0.839471     -4.437384      8.118078
  C      -2.072877     -4.074662      7.622099
  C      -2.445051     -4.457961      6.312601
  N      -3.636593     -4.127564      5.712440
  C      -4.727122     -3.735107      6.363748
  C      -5.150328     -4.231496      7.669032
  O      -4.715080     -5.157777      8.309100
  Cl     -6.610493     -3.329107      8.222472
  H      -2.080044     -3.180417     -0.807261
  H      -1.042962     -0.978148     -1.101893
  H      -0.866373      0.626048      0.799882
  H      -1.660940     -0.044020      3.058250
  H      -2.865436     -1.981907      5.644452
  H      -6.118250     -7.834790      6.177546
  H      -8.415950     -7.309567      6.905679
  H      -9.527732     -5.192752      6.172899
  H      -8.317745     -3.605491      4.688435
  H      -6.551244     -2.120038      4.472176
  H       0.467267     -6.059009      5.411598
  H       1.034079     -5.464106      7.727668
  H      -0.548991     -4.121179      9.119777
  H      -2.741170     -3.461269      8.222486
  H      -5.396089     -3.037599      5.874484
  N      -5.508298     -4.720307      2.545520
  H      -5.479145     -3.970570      1.816125
73
Coordinates from ORCA-job orca E -7298.245904994392
  N      -3.095435     -4.061660      1.601515
  C      -3.437852     -4.920270      0.467979
  C      -3.926830     -6.248827      1.004177
  N      -3.266396     -6.511760      2.297575
  C      -3.836399     -7.737954      2.942565
  C      -3.991204     -7.496079      4.437083
  N      -4.599179     -6.184283      4.554179
  Mo     -3.707380     -4.644088      3.526389
  N      -1.875417     -5.330304      4.181511
  C      -1.068739     -6.279021      3.419782
  C      -1.781851     -6.598562      2.120820
  H      -0.904195     -7.187282      4.023648
  H      -0.075782     -5.858438      3.191553
  H      -1.521478     -7.601039      1.750946
  H      -1.484468     -5.873503      1.360309
  H      -4.624968     -8.286016      4.862559
  H      -3.026726     -7.521337      4.965981
  H      -4.825983     -7.911589      2.502207
  H      -3.202317     -8.609019      2.721536
  H      -2.558365     -5.064487     -0.179741
  H      -4.209598     -4.451211     -0.166801
  H      -3.729729     -7.062483      0.286039
  H      -5.000442     -6.183655      1.237463
  C      -2.409428     -2.922619      1.331097
  C      -1.944407     -2.527335      0.052647
  C      -1.365972     -1.280627     -0.108653
  C      -1.250498     -0.374889      0.970801
  C      -1.675621     -0.750392      2.227377
  C      -2.198542     -2.048414      2.431980
  N      -2.675962     -2.504803      3.638731
  C      -2.225818     -1.977620      4.762803
  C      -0.909834     -1.406116      5.046494
  O      -0.662168     -0.628922      5.929879
  Cl      0.462645     -2.172666      4.119934
  C      -5.881518     -6.015708      5.013003
  C      -6.591670     -6.919538      5.836884
  C      -7.880328     -6.616534      6.255082
  C      -8.506893     -5.423614      5.856246
  C      -7.830802     -4.521979      5.034467
  C      -6.530156     -4.812379      4.648839
  N      -5.788504     -3.987869      3.693389
  C      -6.068477     -2.582061      3.617076
  C      -5.820636     -1.869627      2.449890
  O      -5.477147     -2.268907      1.326543
  Cl     -6.045835     -0.080226      2.702324
  C      -1.506943     -5.135914      5.480201
  C      -0.269645     -5.546592      6.039374
  C       0.047837     -5.200288      7.337642
  C      -0.845890     -4.436835      8.123538
  C      -2.075084     -4.066363      7.621205
  C      -2.445474     -4.451966      6.312904
  N      -3.639449     -4.121830      5.712065
  C      -4.727276     -3.739219      6.372067
  C      -5.136451     -4.242340      7.680625
  O      -4.685484     -5.163710      8.315400
  Cl     -6.593654     -3.346482      8.252850
  H      -2.080055     -3.172272     -0.812895
  H      -1.040785     -0.972046     -1.103203
  H      -0.863646      0.629225      0.800540
  H      -1.660448     -0.042193      3.055997
  H      -2.869817     -1.987456      5.640791
  H      -6.110481     -7.835588      6.176528
  H      -8.405156     -7.312190      6.910118
  H      -9.519834     -5.194601      6.185645
  H      -8.314722     -3.606179      4.694630
  H      -6.510745     -2.117728      4.490326
  H       0.454964     -6.080399      5.427730
  H       1.019315     -5.481828      7.745095
  H      -0.556551     -4.119162      9.125084
  H      -2.741817     -3.446133      8.216714
  H      -5.405878     -3.047538      5.888590
  N      -5.520856     -4.717193      2.543129
  H      -5.475249     -3.977657      1.800187
73
Coordinates from ORCA-job orca E -7298.248061413779
  N      -3.092370     -4.062530      1.592663
  C      -3.423012     -4.921072      0.454636
  C      -3.912936     -6.253734      0.983626
  N      -3.266306     -6.507453      2.292939
  C      -3.850587     -7.727913      2.938308
  C      -3.980490     -7.490987      4.437199
  N      -4.591338     -6.180817      4.559333
  Mo     -3.695493     -4.643296      3.529535
  N      -1.871036     -5.337949      4.186748
  C      -1.075560     -6.301024      3.431144
  C      -1.783004     -6.605007      2.125783
  H      -0.934679     -7.212807      4.035360
  H      -0.072702     -5.899240      3.212684
  H      -1.526297     -7.607248      1.752018
  H      -1.478566     -5.876413      1.371186
  H      -4.599115     -8.283530      4.879326
  H      -3.006507     -7.505254      4.947079
  H      -4.854708     -7.867290      2.518994
  H      -3.243799     -8.612336      2.694877
  H      -2.534366     -5.059582     -0.181539
  H      -4.189522     -4.454490     -0.187500
  H      -3.696568     -7.072820      0.278656
  H      -4.989108     -6.201330      1.196426
  C      -2.414474     -2.918681      1.324709
  C      -1.952635     -2.517185      0.045887
  C      -1.379791     -1.268098     -0.113975
  C      -1.267031     -0.363669      0.966199
  C      -1.688807     -0.742878      2.222435
  C      -2.204724     -2.043639      2.426828
  N      -2.673626     -2.504063      3.634422
  C      -2.228692     -1.975205      4.759595
  C      -0.921155     -1.384321      5.044316
  O      -0.689908     -0.597055      5.922463
  Cl      0.465132     -2.166538      4.151523
  C      -5.875314     -6.014542      5.010304
  C      -6.584699     -6.915405      5.837850
  C      -7.871931     -6.609539      6.258644
  C      -8.497693     -5.416264      5.863306
  C      -7.824003     -4.516319      5.037237
  C      -6.526364     -4.810997      4.646435
  N      -5.795864     -3.990217      3.680162
  C      -6.054499     -2.585108      3.619157
  C      -5.823675     -1.873954      2.444772
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  C      -0.279313     -5.567239      6.052737
  C       0.037743     -5.218631      7.351190
  C      -0.849148     -4.441603      8.129310
  C      -2.073563     -4.061255      7.620353
  C      -2.444149     -4.451280      6.314889
  N      -3.639985     -4.116104      5.712536
  C      -4.720578     -3.732312      6.381171
  C      -5.123444     -4.239824      7.691855
  O      -4.679942     -5.172817      8.312085
  Cl     -6.592952     -3.360268      8.260498
  H      -2.086880     -3.159764     -0.821424
  H      -1.057201     -0.956556     -1.108486
  H      -0.885219      0.642605      0.797092
  H      -1.675958     -0.034058      3.050464
  H      -2.871934     -1.997084      5.637284
  H      -6.104969     -7.831895      6.178535
  H      -8.395609     -7.303996      6.915970
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  H      -8.304501     -3.598219      4.698824
  H      -6.446215     -2.115843      4.513302
  H       0.441040     -6.111689      5.445449
  H       1.004413     -5.509318      7.763653
  H      -0.559203     -4.121586      9.129921
  H      -2.736996     -3.431037      8.209446
  H      -5.402688     -3.041822      5.901905
  N      -5.529905     -4.723683      2.535367
  H      -5.473229     -3.993681      1.782856
73
Coordinates from ORCA-job orca E -7298.249405961084
  N      -3.090105     -4.059213      1.587959
  C      -3.403747     -4.917629      0.442031
  C      -3.892868     -6.259783      0.957357
  N      -3.263272     -6.503924      2.284907
  C      -3.860823     -7.719143      2.929578
  C      -3.978034     -7.488794      4.432388
  N      -4.586216     -6.176627      4.560760
  Mo     -3.682944     -4.644702      3.532365
  N      -1.870015     -5.350296      4.193212
  C      -1.081283     -6.322454      3.441236
  C      -1.781054     -6.609901      2.128939
  H      -0.961251     -7.238389      4.043269
  H      -0.070396     -5.934745      3.235128
  H      -1.525675     -7.610592      1.749348
  H      -1.470346     -5.875548      1.382131
  H      -4.588125     -8.281666      4.884796
  H      -2.998898     -7.497792      4.931096
  H      -4.874527     -7.829946      2.524715
  H      -3.275897     -8.613559      2.669847
  H      -2.504796     -5.045928     -0.181520
  H      -4.165052     -4.451715     -0.206062
  H      -3.654067     -7.081184      0.264194
  H      -4.968775     -6.221690      1.145659
  C      -2.423559     -2.908239      1.324243
  C      -1.965711     -2.496194      0.046204
  C      -1.399353     -1.243920     -0.108537
  C      -1.288480     -0.344438      0.975441
  C      -1.706079     -0.731375      2.230442
  C      -2.216459     -2.034849      2.430116
  N      -2.673763     -2.503586      3.637872
  C      -2.228723     -1.975402      4.762883
  C      -0.931762     -1.356353      5.038281
  O      -0.714906     -0.550596      5.902544
  Cl      0.459669     -2.103314      4.124105
  C      -5.867427     -6.006973      5.015034
  C      -6.575181     -6.900388      5.851350
  C      -7.857494     -6.584783      6.280372
  C      -8.479985     -5.389837      5.888164
  C      -7.809883     -4.496337      5.051956
  C      -6.517460     -4.800553      4.652137
  N      -5.801283     -3.995381      3.663691
  C      -6.049330     -2.596203      3.583948
  C      -5.849277     -1.909599      2.386869
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  C      -0.293948     -5.597531      6.068867
  C       0.020518     -5.251091      7.369466
  C      -0.860869     -4.464455      8.141745
  C      -2.079944     -4.073304      7.625838
  C      -2.448573     -4.462986      6.321107
  N      -3.645702     -4.120855      5.716138
  C      -4.720886     -3.742146      6.394035
  C      -5.117864     -4.261844      7.703550
  O      -4.654169     -5.180656      8.327296
  Cl     -6.554689     -3.351724      8.311880
  H      -2.097878     -3.133899     -0.824807
  H      -1.079579     -0.926177     -1.102023
  H      -0.911338      0.664399      0.810894
  H      -1.693713     -0.024831      3.060395
  H      -2.863040     -2.016078      5.645544
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  H      -6.384797     -2.104635      4.488472
  H       0.423800     -6.149817      5.465665
  H       0.981845     -5.551654      7.787334
  H      -0.571498     -4.145860      9.142960
  H      -2.741403     -3.435545      8.209286
  H      -5.409044     -3.054038      5.920698
  N      -5.531856     -4.732666      2.521389
  H      -5.464459     -4.014855      1.759484
73
Coordinates from ORCA-job orca E -7298.250085689874
  N      -3.089049     -4.063381      1.581607
  C      -3.390174     -4.926911      0.437531
  C      -3.873349     -6.272890      0.950162
  N      -3.255751     -6.504677      2.288527
  C      -3.858404     -7.715647      2.938356
  C      -3.979636     -7.490120      4.442014
  N      -4.581335     -6.176044      4.570979
  Mo     -3.663300     -4.651162      3.541474
  N      -1.858959     -5.359398      4.203793
  C      -1.073853     -6.333628      3.449980
  C      -1.773410     -6.613090      2.136294
  H      -0.961112     -7.251832      4.049937
  H      -0.060333     -5.950968      3.247783
  H      -1.517613     -7.611858      1.751491
  H      -1.463073     -5.873431      1.394800
  H      -4.592928     -8.281047      4.893282
  H      -3.002533     -7.501793      4.944405
  H      -4.874920     -7.814436      2.537064
  H      -3.281104     -8.613552      2.673765
  H      -2.485533     -5.047875     -0.178977
  H      -4.152215     -4.468169     -0.214410
  H      -3.612225     -7.096454      0.268213
  H      -4.957375     -6.255096      1.116648
  C      -2.443756     -2.902183      1.317845
  C      -2.003096     -2.476783      0.036911
  C      -1.457154     -1.216109     -0.117916
  C      -1.349836     -0.318775      0.968084
  C      -1.749232     -0.716726      2.225150
  C      -2.238164     -2.028415      2.425394
  N      -2.667241     -2.510404      3.637457
  C      -2.213231     -1.985260      4.760541
  C      -0.920478     -1.352769      5.025987
  O      -0.706724     -0.550227      5.893548
  Cl      0.473806     -2.118068      4.130678
  C      -5.866307     -6.001918      5.009059
  C      -6.581300     -6.887943      5.846668
  C      -7.864981     -6.565798      6.267750
  C      -8.481161     -5.370784      5.869981
  C      -7.805367     -4.483970      5.030361
  C      -6.514900     -4.797721      4.633826
  N      -5.800382     -3.997949      3.640704
  C      -6.020217     -2.599019      3.577452
  C      -5.834554     -1.901937      2.380308
  O      -5.560670     -2.332857      1.253612
  Cl     -5.952893     -0.111716      2.618716
  C      -1.511904     -5.177708      5.513304
  C      -0.293646     -5.616637      6.085321
  C       0.019377     -5.270268      7.387142
  C      -0.859224     -4.478300      8.154863
  C      -2.076058     -4.082527      7.634295
  C      -2.443885     -4.475014      6.331683
  N      -3.641381     -4.124983      5.722742
  C      -4.710314     -3.734262      6.402238
  C      -5.114575     -4.251728      7.712962
  O      -4.667248     -5.180716      8.331318
  Cl     -6.562543     -3.345416      8.302707
  H      -2.134360     -3.112031     -0.836054
  H      -1.151537     -0.889889     -1.113174
  H      -0.989835      0.696397      0.803943
  H      -1.738623     -0.011820      3.056456
  H      -2.833456     -2.044978      5.651278
  H      -6.111152     -7.806419      6.195834
  H      -8.392375     -7.250208      6.932823
  H      -9.486217     -5.128153      6.213927
  H      -8.271999     -3.561084      4.685298
  H      -6.292667     -2.106537      4.502490
  H       0.422963     -6.172643      5.484150
  H       0.978022     -5.575298      7.807980
  H      -0.570389     -4.158477      9.155844
  H      -2.736158     -3.439492      8.213565
  H      -5.396924     -3.046347      5.925863
  N      -5.536464     -4.749934      2.522152
  H      -5.488989     -4.052925      1.741201
73
Coordinates from ORCA-job orca E -7298.250471162340
  N      -3.085990     -4.059313      1.587989
  C      -3.376072     -4.927135      0.440342
  C      -3.854349     -6.284137      0.942840
  N      -3.244903     -6.508837      2.290782
  C      -3.848579     -7.717033      2.944553
  C      -3.987644     -7.489830      4.447283
  N      -4.579093     -6.168895      4.573438
  Mo     -3.647863     -4.653896      3.546304
  N      -1.854477     -5.372694      4.210437
  C      -1.065116     -6.341937      3.453524
  C      -1.763122     -6.616903      2.139545
  H      -0.950926     -7.262002      4.050222
  H      -0.052635     -5.954423      3.255798
  H      -1.505829     -7.613914      1.750751
  H      -1.454477     -5.873171      1.401022
  H      -4.614341     -8.274375      4.890526
  H      -3.017216     -7.511226      4.963089
  H      -4.860358     -7.823506      2.533323
  H      -3.264311     -8.613831      2.691538
  H      -2.467958     -5.037806     -0.172943
  H      -4.139657     -4.469256     -0.210164
  H      -3.578372     -7.104563      0.263958
  H      -4.935132     -6.276333      1.094200
  C      -2.458042     -2.889071      1.322654
  C      -2.032402     -2.452316      0.040172
  C      -1.503915     -1.184181     -0.113384
  C      -1.398737     -0.290115      0.975816
  C      -1.782267     -0.698238      2.234544
  C      -2.254771     -2.016103      2.432796
  N      -2.660403     -2.509888      3.648044
  C      -2.192753     -1.988828      4.767167
  C      -0.901243     -1.344880      5.014711
  O      -0.682531     -0.543352      5.881818
  Cl      0.481309     -2.081080      4.079348
  C      -5.861592     -5.986860      5.015481
  C      -6.580651     -6.864384      5.857861
  C      -7.862863     -6.532034      6.276365
  C      -8.473079     -5.336381      5.871943
  C      -7.793520     -4.457166      5.027380
  C      -6.504213     -4.780001      4.633526
  N      -5.785580     -3.993131      3.632646
  C      -6.005167     -2.600483      3.535932
  C      -5.836109     -1.931088      2.320831
  O      -5.618347     -2.391141      1.194886
  Cl     -6.031479     -0.139313      2.507061
  C      -1.511082     -5.202960      5.524683
  C      -0.296610     -5.650172      6.096378
  C       0.013647     -5.315056      7.402752
  C      -0.863734     -4.526445      8.173855
  C      -2.077294     -4.121057      7.651408
  C      -2.441604     -4.501616      6.345011
  N      -3.634572     -4.133944      5.732831
  C      -4.695281     -3.727423      6.414778
  C      -5.102009     -4.236295      7.728817
  O      -4.675708     -5.177285      8.342208
  Cl     -6.562182     -3.332980      8.298188
  H      -2.162194     -3.085026     -0.834885
  H      -1.210409     -0.849719     -1.109620
  H      -1.052607      0.730267      0.813597
  H      -1.771486      0.003628      3.068566
  H      -2.793928     -2.065863      5.669378
  H      -6.117129     -7.784239      6.212426
  H      -8.394883     -7.209519      6.944991
  H      -9.477121     -5.088537      6.215416
  H      -8.253675     -3.533492      4.675751
  H      -6.253765     -2.084597      4.454953
  H       0.420739     -6.204666      5.494661
  H       0.969425     -5.627753      7.824683
  H      -0.576542     -4.216603      9.178517
  H      -2.738115     -3.479774      8.232145
  H      -5.374522     -3.031556      5.939504
  N      -5.519587     -4.755683      2.516953
  H      -5.468576     -4.074773      1.725089
73
Coordinates from ORCA-job orca E -7298.250854874380
  N      -3.082327     -4.060625      1.586913
  C      -3.368687     -4.930774      0.441358
  C      -3.841704     -6.288529      0.943482
  N      -3.236786     -6.516146      2.290237
  C      -3.836670     -7.725585      2.944762
  C      -3.990479     -7.495261      4.445369
  N      -4.579559     -6.172278      4.568712
  Mo     -3.644350     -4.661332      3.542630
  N      -1.855769     -5.378151      4.211813
  C      -1.059082     -6.342181      3.456063
  C      -1.753510     -6.619590      2.141354
  H      -0.939125     -7.261680      4.052641
  H      -0.049047     -5.947422      3.260133
  H      -1.494215     -7.615586      1.751612
  H      -1.445120     -5.874395      1.404297
  H      -4.627112     -8.277936      4.877957
  H      -3.025717     -7.524580      4.972638
  H      -4.840447     -7.850462      2.519468
  H      -3.237672     -8.616690      2.706433
  H      -2.462065     -5.038754     -0.174418
  H      -4.135595     -4.475719     -0.207487
  H      -3.564019     -7.105970      0.260826
  H      -4.923963     -6.285777      1.090823
  C      -2.464743     -2.885616      1.321574
  C      -2.046798     -2.443271      0.038767
  C      -1.530449     -1.170039     -0.113639
  C      -1.428804     -0.277265      0.977557
  C      -1.803560     -0.691532      2.236918
  C      -2.265615     -2.013332      2.433043
  N      -2.660541     -2.513825      3.649035
  C      -2.183370     -1.996968      4.765626
  C      -0.891032     -1.350406      5.002075
  O      -0.662991     -0.557939      5.875202
  Cl      0.480382     -2.065044      4.034671
  C      -5.859819     -5.984729      5.015858
  C      -6.579003     -6.856704      5.863659
  C      -7.857409     -6.516614      6.287774
  C      -8.463218     -5.318317      5.883238
  C      -7.783024     -4.444821      5.033573
  C      -6.498086     -4.776348      4.632221
  N      -5.779553     -3.995765      3.626571
  C      -5.994248     -2.601675      3.532352
  C      -5.834572     -1.929641      2.318040
  O      -5.618989     -2.383181      1.189673
  Cl     -5.992810     -0.132670      2.521763
  C      -1.515393     -5.211534      5.528163
  C      -0.300962     -5.657492      6.100885
  C       0.005639     -5.326461      7.409198
  C      -0.875121     -4.542651      8.181270
  C      -2.087890     -4.136950      7.657537
  C      -2.449012     -4.513506      6.348724
  N      -3.637352     -4.140873      5.731511
  C      -4.702384     -3.727099      6.402092
  C      -5.128586     -4.232385      7.711120
  O      -4.703043     -5.162424      8.341932
  Cl     -6.573312     -3.301858      8.275429
  H      -2.173387     -3.076542     -0.836445
  H      -1.243430     -0.830659     -1.110064
  H      -1.092049      0.746335      0.816212
  H      -1.794082      0.007357      3.073581
  H      -2.771579     -2.084161      5.675691
  H      -6.117316     -7.776976      6.219507
  H      -8.389465     -7.188912      6.961504
  H      -9.464160     -5.064552      6.231289
  H      -8.239323     -3.519217      4.681712
  H      -6.232336     -2.084659      4.454100
  H       0.419613     -6.207919      5.499383
  H       0.961415     -5.638260      7.831726
  H      -0.590939     -4.236042      9.187758
  H      -2.749518     -3.497951      8.239206
  H      -5.374762     -3.030397      5.917634
  N      -5.511634     -4.765105      2.509052
  H      -5.465940     -4.076168      1.726112
73
Coordinates from ORCA-job orca E -7298.251035437687
  N      -3.078998     -4.060632      1.594308
  C      -3.365424     -4.934228      0.451354
  C      -3.832603     -6.294832      0.953175
  N      -3.229069     -6.522465      2.297739
  C      -3.824979     -7.732235      2.954009
  C      -3.995550     -7.497628      4.451535
  N      -4.579617     -6.172122      4.571275
  Mo     -3.635587     -4.664868      3.547215
  N      -1.852389     -5.386375      4.217666
  C      -1.051585     -6.345377      3.460352
  C      -1.745505     -6.622357      2.146052
  H      -0.926798     -7.265612      4.054965
  H      -0.043799     -5.944169      3.265302
  H      -1.485745     -7.617049      1.753467
  H      -1.439085     -5.875141      1.410207
  H      -4.646829     -8.276060      4.870548
  H      -3.038178     -7.538463      4.992474
  H      -4.818873     -7.879751      2.513493
  H      -3.208946     -8.616918      2.735106
  H      -2.460622     -5.037095     -0.168182
  H      -4.137628     -4.483651     -0.194768
  H      -3.550159     -7.107592      0.266578
  H      -4.916399     -6.297860      1.097567
  C      -2.477462     -2.878143      1.326106
  C      -2.075258     -2.428259      0.041236
  C      -1.579093     -1.147166     -0.112740
  C      -1.481146     -0.254769      0.979434
  C      -1.838506     -0.677155      2.241207
  C      -2.281487     -2.005419      2.437691
  N      -2.656199     -2.513871      3.657000
  C      -2.163135     -1.999317      4.767335
  C      -0.868940     -1.348519      4.983461
  O      -0.627339     -0.566309      5.862406
  Cl      0.488308     -2.052024      3.989605
  C      -5.860111     -5.978810      5.016494
  C      -6.584679     -6.848755      5.861457
  C      -7.865570     -6.507205      6.276884
  C      -8.468207     -5.309648      5.864872
  C      -7.781479     -4.437810      5.018873
  C      -6.493834     -4.770178      4.626953
  N      -5.764578     -3.990328      3.627431
  C      -5.987274     -2.598389      3.513811
  C      -5.827043     -1.939942      2.293477
  O      -5.583262     -2.401889      1.175027
  Cl     -5.964711     -0.136191      2.486587
  C      -1.512503     -5.227142      5.535939
  C      -0.297647     -5.676701      6.105248
  C       0.009670     -5.355126      7.415806
  C      -0.870543     -4.576405      8.193243
  C      -2.082705     -4.165200      7.671867
  C      -2.444973     -4.533051      6.360694
  N      -3.627799     -4.146629      5.741099
  C      -4.691882     -3.715246      6.401888
  C      -5.139101     -4.208041      7.709435
  O      -4.733505     -5.139338      8.351862
  Cl     -6.567721     -3.244008      8.258451
  H      -2.198855     -3.062740     -0.833643
  H      -1.305509     -0.801628     -1.110837
  H      -1.160710      0.773901      0.817152
  H      -1.829825      0.018475      3.080707
  H      -2.732023     -2.095806      5.688524
  H      -6.125911     -7.768962      6.221478
  H      -8.402738     -7.177856      6.948186
  H      -9.471903     -5.055667      6.204748
  H      -8.235142     -3.512734      4.662277
  H      -6.235592     -2.070001      4.426274
  H       0.423700     -6.222716      5.500681
  H       0.965823     -5.669960      7.835249
  H      -0.586628     -4.277301      9.202086
  H      -2.741473     -3.528135      8.257986
  H      -5.348895     -3.008342      5.911285
  N      -5.498692     -4.761549      2.516603
  H      -5.459121     -4.077702      1.728655
73
Coordinates from ORCA-job orca E -7298.251167948699
  N      -3.072684     -4.064182      1.593881
  C      -3.355796     -4.939459      0.452224
  C      -3.818157     -6.301982      0.953042
  N      -3.220413     -6.527999      2.299885
  C      -3.816568     -7.737061      2.957674
  C      -3.997494     -7.498792      4.453830
  N      -4.578550     -6.171839      4.570253
  Mo     -3.626379     -4.669909      3.546817
  N      -1.848953     -5.392715      4.222535
  C      -1.046179     -6.352341      3.467494
  C      -1.736274     -6.626825      2.150727
  H      -0.924128     -7.273196      4.061680
  H      -0.037611     -5.951224      3.276287
  H      -1.475932     -7.620432      1.755744
  H      -1.429113     -5.877301      1.417451
  H      -4.656122     -8.274603      4.866586
  H      -3.044387     -7.544648      5.001707
  H      -4.804947     -7.894343      2.508537
  H      -3.193022     -8.619367      2.750042
  H      -2.450282     -5.037802     -0.167051
  H      -4.130173     -4.493149     -0.194252
  H      -3.527252     -7.111730      0.266192
  H      -4.903901     -6.314464      1.088892
  C      -2.485656     -2.874982      1.324147
  C      -2.095010     -2.419037      0.037932
  C      -1.616194     -1.131483     -0.116972
  C      -1.523888     -0.238845      0.975608
  C      -1.868513     -0.667315      2.238813
  C      -2.293984     -2.001204      2.435715
  N      -2.653082     -2.516397      3.657012
  C      -2.151642     -2.003521      4.764026
  C      -0.858705     -1.345825      4.969106
  O      -0.614649     -0.561515      5.845501
  Cl      0.493037     -2.035711      3.958760
  C      -5.858677     -5.972294      5.013638
  C      -6.587568     -6.837567      5.859355
  C      -7.866166     -6.488153      6.275535
  C      -8.461938     -5.287205      5.863347
  C      -7.770833     -4.420081      5.016153
  C      -6.485964     -4.760848      4.622579
  N      -5.754287     -3.987009      3.619755
  C      -5.968946     -2.593679      3.510154
  C      -5.815802     -1.933852      2.289660
  O      -5.589936     -2.393679      1.166820
  Cl     -5.961943     -0.129774      2.486317
  C      -1.511872     -5.236370      5.542837
  C      -0.299131     -5.688924      6.113764
  C       0.003712     -5.375047      7.427557
  C      -0.879809     -4.602253      8.206489
  C      -2.089699     -4.186865      7.682335
  C      -2.445445     -4.544421      6.366835
  N      -3.623390     -4.151055      5.742925
  C      -4.689840     -3.718134      6.397452
  C      -5.139072     -4.201362      7.708257
  O      -4.731300     -5.124509      8.360694
  Cl     -6.575509     -3.240189      8.242170
  H      -2.214865     -3.054651     -0.836674
  H      -1.352631     -0.781203     -1.116125
  H      -1.218010      0.794114      0.812508
  H      -1.863479      0.026631      3.079765
  H      -2.707080     -2.110864      5.692122
  H      -6.133441     -7.759645      6.220572
  H      -8.406646     -7.154881      6.948085
  H      -9.463802     -5.027273      6.204157
  H      -8.218704     -3.492201      4.659384
  H      -6.204752     -2.064447      4.425474
  H       0.424378     -6.232403      5.509555
  H       0.958089     -5.693175      7.848567
  H      -0.601124     -4.311253      9.219168
  H      -2.751067     -3.554754      8.270894
  H      -5.346582     -3.014522      5.901384
  N      -5.489437     -4.766775      2.513365
  H      -5.452404     -4.086419      1.722330
73
Coordinates from ORCA-job orca E -7298.251252432422
  N      -3.066784     -4.067250      1.594580
  C      -3.348504     -4.941930      0.452335
  C      -3.807866     -6.306625      0.950797
  N      -3.215051     -6.531757      2.300308
  C      -3.812833     -7.740309      2.957999
  C      -3.997018     -7.499969      4.454089
  N      -4.576037     -6.172480      4.569963
  Mo     -3.618920     -4.673580      3.546931
  N      -1.847090     -5.401097      4.226916
  C      -1.045278     -6.363910      3.474176
  C      -1.730820     -6.631683      2.154010
  H      -0.930836     -7.286536      4.066953
  H      -0.033913     -5.967495      3.288270
  H      -1.470797     -7.623936      1.755288
  H      -1.421609     -5.879010      1.424683
  H      -4.658272     -8.274444      4.865365
  H      -3.044972     -7.547768      5.002950
  H      -4.799220     -7.899562      2.505542
  H      -3.187647     -8.622654      2.754977
  H      -2.441924     -5.036698     -0.166069
  H      -4.123471     -4.497856     -0.194930
  H      -3.508766     -7.113435      0.263901
  H      -4.893831     -6.327574      1.078270
  C      -2.490924     -2.872431      1.324233
  C      -2.107639     -2.412043      0.037443
  C      -1.641257     -1.119916     -0.117651
  C      -1.553658     -0.227307      0.975211
  C      -1.889826     -0.660185      2.239183
  C      -2.303022     -1.997863      2.435795
  N      -2.652370     -2.517581      3.658191
  C      -2.147030     -2.005192      4.763053
  C      -0.859516     -1.333304      4.959214
  O      -0.618698     -0.546930      5.834531
  Cl      0.492499     -2.008916      3.940711
  C      -5.855522     -5.969227      5.012517
  C      -6.587062     -6.832609      5.857856
  C      -7.864076     -6.478727      6.275139
  C      -8.455534     -5.275109      5.864614
  C      -7.761835     -4.409777      5.017835
  C      -6.478436     -4.754931      4.623249
  N      -5.746241     -3.985180      3.617437
  C      -5.957403     -2.591516      3.508995
  C      -5.810687     -1.934444      2.286248
  O      -5.597922     -2.396769      1.161808
  Cl     -5.966781     -0.130577      2.477655
  C      -1.512111     -5.248191      5.548963
  C      -0.302176     -5.706550      6.120667
  C       0.000603     -5.395795      7.435433
  C      -0.880230     -4.619872      8.213598
  C      -2.087582     -4.198209      7.687933
  C      -2.443678     -4.553631      6.372178
  N      -3.617518     -4.152332      5.745424
  C      -4.683699     -3.710992      6.393754
  C      -5.146187     -4.188045      7.702643
  O      -4.757631     -5.118896      8.355467
  Cl     -6.577956     -3.212926      8.224094
  H      -2.223908     -3.048340     -0.837107
  H      -1.384017     -0.766336     -1.117289
  H      -1.258117      0.808584      0.811754
  H      -1.888107      0.032236      3.081417
  H      -2.690976     -2.125240      5.696509
  H      -6.136271     -7.756868      6.217675
  H      -8.406738     -7.144141      6.947224
  H      -9.456254     -5.011936      6.206280
  H      -8.206286     -3.479744      4.662421
  H      -6.184316     -2.060316      4.425392
  H       0.420165     -6.252141      5.517037
  H       0.953100     -5.718776      7.856976
  H      -0.602221     -4.331491      9.227209
  H      -2.745871     -3.563297      8.276688
  H      -5.330666     -3.000954      5.894283
  N      -5.483017     -4.766944      2.512328
  H      -5.441515     -4.088953      1.719463
73
Coordinates from ORCA-job orca E -7298.251327712147
  N      -3.058522     -4.071154      1.595326
  C      -3.341257     -4.944690      0.453203
  C      -3.797851     -6.310951      0.949951
  N      -3.209504     -6.534679      2.301747
  C      -3.810093     -7.742516      2.959126
  C      -3.996986     -7.500125      4.455428
  N      -4.573167     -6.172553      4.571816
  Mo     -3.610427     -4.675573      3.547619
  N      -1.842975     -5.409011      4.232803
  C      -1.044546     -6.377035      3.482423
  C      -1.725298     -6.636573      2.158455
  H      -0.940814     -7.301877      4.073598
  H      -0.029111     -5.988605      3.302157
  H      -1.465735     -7.627357      1.755647
  H      -1.413397     -5.880589      1.433642
  H      -4.660338     -8.273291      4.866045
  H      -3.045305     -7.549943      5.004075
  H      -4.795248     -7.901220      2.504145
  H      -3.185048     -8.625831      2.759637
  H      -2.433782     -5.036632     -0.164617
  H      -4.116711     -4.503313     -0.195370
  H      -3.488976     -7.114572      0.263428
  H      -4.884957     -6.342460      1.068698
  C      -2.495755     -2.870016      1.323134
  C      -2.120302     -2.406516      0.035194
  C      -1.668941     -1.109242     -0.122058
  C      -1.588569     -0.214788      0.969446
  C      -1.915816     -0.650890      2.234698
  C      -2.313266     -1.992990      2.432958
  N      -2.651675     -2.516430      3.657206
  C      -2.142707     -2.002206      4.758775
  C      -0.863363     -1.310510      4.944104
  O      -0.630363     -0.516343      5.814350
  Cl      0.493038     -1.973848      3.924951
  C      -5.852563     -5.964652      5.010937
  C      -6.589394     -6.828407      5.851621
  C      -7.865758     -6.471320      6.267690
  C      -8.451971     -5.264132      5.860165
  C      -7.753603     -4.398657      5.017651
  C      -6.470034     -4.746355      4.625320
  N      -5.735509     -3.978843      3.619467
  C      -5.947597     -2.585581      3.507790
  C      -5.801498     -1.934206      2.281629
  O      -5.588404     -2.401594      1.159224
  Cl     -5.965653     -0.130466      2.462009
  C      -1.510162     -5.259717      5.556364
  C      -0.304506     -5.726798      6.129856
  C      -0.003595     -5.422736      7.446863
  C      -0.882742     -4.645568      8.225167
  C      -2.086241     -4.214943      7.697065
  C      -2.439384     -4.562399      6.378750
  N      -3.608076     -4.151428      5.749468
  C      -4.674936     -3.707367      6.393364
  C      -5.140117     -4.176098      7.704994
  O      -4.759448     -5.108909      8.359239
  Cl     -6.566276     -3.190678      8.222176
  H      -2.231316     -3.045029     -0.838391
  H      -1.418241     -0.753668     -1.122658
  H      -1.305587      0.824273      0.803992
  H      -1.919860      0.041139      3.077241
  H      -2.673849     -2.134551      5.697658
  H      -6.143128     -7.756112      6.208157
  H      -8.412337     -7.137516      6.935827
  H      -9.452649     -4.998534      6.200071
  H      -8.194840     -3.466256      4.664664
  H      -6.175489     -2.051083      4.421779
  H       0.416454     -6.274878      5.526905
  H       0.945682     -5.753326      7.869719
  H      -0.607806     -4.363784      9.241469
  H      -2.742945     -3.580140      8.287862
  H      -5.316339     -2.992907      5.893034
  N      -5.477411     -4.763494      2.513813
  H      -5.432683     -4.087141      1.719292
73
Coordinates from ORCA-job orca E -7298.251370588214
  N      -3.051232     -4.073810      1.596335
  C      -3.335924     -4.946137      0.453850
  C      -3.791683     -6.312725      0.950197
  N      -3.205829     -6.536319      2.302459
  C      -3.807982     -7.744303      2.959039
  C      -3.995047     -7.500513      4.455346
  N      -4.569582     -6.172636      4.571133
  Mo     -3.604093     -4.676873      3.547354
  N      -1.840162     -5.415573      4.237138
  C      -1.044159     -6.386960      3.487971
  C      -1.721372     -6.639883      2.161307
  H      -0.948565     -7.313636      4.077711
  H      -0.025512     -6.005151      3.312025
  H      -1.462248     -7.629349      1.755024
  H      -1.407156     -5.880942      1.440400
  H      -4.657886     -8.273312      4.867308
  H      -3.042697     -7.550298      5.002934
  H      -4.793374     -7.900656      2.503752
  H      -3.184422     -8.628540      2.759635
  H      -2.428949     -5.039145     -0.164823
  H      -4.110841     -4.504091     -0.194896
  H      -3.476678     -7.114719      0.264115
  H      -4.878784     -6.352109      1.063307
  C      -2.497596     -2.868083      1.322088
  C      -2.127063     -2.403630      0.033290
  C      -1.686737     -1.102662     -0.126185
  C      -1.613455     -0.205994      0.963778
  C      -1.935600     -0.643469      2.230034
  C      -2.320325     -1.988822      2.430102
  N      -2.650899     -2.515921      3.655892
  C      -2.140308     -2.000272      4.755404
  C      -0.868342     -1.292044      4.934355
  O      -0.644467     -0.487229      5.797063
  Cl      0.493177     -1.944231      3.916353
  C      -5.848726     -5.962398      5.009870
  C      -6.588075     -6.826339      5.848558
  C      -7.863271     -6.466881      6.265739
  C      -8.446487     -5.256996      5.861065
  C      -7.746147     -4.391847      5.020218
  C      -6.463060     -4.741650      4.627259
  N      -5.728080     -3.976165      3.619987
  C      -5.941712     -2.582014      3.507203
  C      -5.798493     -1.932594      2.279906
  O      -5.584232     -2.401084      1.157702
  Cl     -5.960647     -0.129080      2.456961
  C      -1.509613     -5.270733      5.562056
  C      -0.308455     -5.745875      6.138230
  C      -0.009609     -5.445856      7.456719
  C      -0.886477     -4.664757      8.233704
  C      -2.085988     -4.226217      7.702996
  C      -2.437495     -4.569749      6.383144
  N      -3.601193     -4.151408      5.750982
  C      -4.669240     -3.703320      6.390112
  C      -5.141714     -4.168276      7.700162
  O      -4.770710     -5.104923      8.354676
  Cl     -6.556713     -3.167619      8.217922
  H      -2.233551     -3.044399     -0.839190
  H      -1.439720     -0.746484     -1.127483
  H      -1.339902      0.835271      0.796433
  H      -1.945969      0.049305      3.071919
  H      -2.662452     -2.142487      5.697746
  H      -6.144256     -7.756223      6.202325
  H      -8.411492     -7.133440      6.932168
  H      -9.446499     -4.989315      6.201263
  H      -8.185805     -3.458030      4.669073
  H      -6.170914     -2.046688      4.420358
  H       0.410954     -6.297374      5.536536
  H       0.936429     -5.782990      7.881637
  H      -0.613370     -4.386280      9.251417
  H      -2.740333     -3.589035      8.293840
  H      -5.302971     -2.982888      5.888688
  N      -5.472243     -4.758251      2.515673
  H      -5.423555     -4.083062      1.720613
73
Coordinates from ORCA-job orca E -7298.251397026432
  N      -3.047161     -4.075288      1.596991
  C      -3.333253     -4.947473      0.454664
  C      -3.788975     -6.314381      0.950686
  N      -3.204110     -6.537214      2.303410
  C      -3.807128     -7.745184      2.959866
  C      -3.995126     -7.501056      4.455884
  N      -4.568000     -6.172534      4.571032
  Mo     -3.600662     -4.676908      3.547189
  N      -1.837816     -5.419158      4.240359
  C      -1.043429     -6.391589      3.490819
  C      -1.719563     -6.641647      2.163178
  H      -0.951330     -7.319243      4.079762
  H      -0.023227     -6.013147      3.316602
  H      -1.460336     -7.630477      1.755415
  H      -1.404349     -5.881306      1.444141
  H      -4.657669     -8.273511      4.868700
  H      -3.042781     -7.551034      5.003894
  H      -4.793175     -7.899119      2.504960
  H      -3.185063     -8.630036      2.759332
  H      -2.426907     -5.042142     -0.164800
  H      -4.107665     -4.503969     -0.193642
  H      -3.469658     -7.115919      0.265768
  H      -4.876669     -6.359453      1.060310
  C      -2.498639     -2.867113      1.320732
  C      -2.129892     -2.403069      0.031449
  C      -1.695093     -1.100261     -0.129673
  C      -1.625979     -0.201969      0.959067
  C      -1.946184     -0.639459      2.226018
  C      -2.324955     -1.986061      2.427175
  N      -2.650871     -2.515368      3.653867
  C      -2.138038     -1.998736      4.751348
  C      -0.873158     -1.275193      4.923330
  O      -0.655148     -0.465936      5.783233
  Cl      0.490966     -1.918571      3.904701
  C      -5.847056     -5.960947      5.009370
  C      -6.588581     -6.825649      5.845721
  C      -7.863216     -6.465133      6.263125
  C      -8.444493     -5.253389      5.860692
  C      -7.742522     -4.387785      5.021988
  C      -6.459449     -4.738459      4.628892
  N      -5.723188     -3.972477      3.623023
  C      -5.938997     -2.578306      3.509570
  C      -5.792462     -1.928136      2.283201
  O      -5.569706     -2.395901      1.162277
  Cl     -5.954653     -0.125023      2.460174
  C      -1.508770     -5.276900      5.565653
  C      -0.310800     -5.757252      6.144127
  C      -0.013560     -5.458763      7.463343
  C      -0.888721     -4.674040      8.238703
  C      -2.085628     -4.230861      7.705947
  C      -2.436117     -4.573331      6.385512
  N      -3.597500     -4.151940      5.751775
  C      -4.666676     -3.703570      6.389323
  C      -5.142352     -4.170178      7.697397
  O      -4.774325     -5.109487      8.349978
  Cl     -6.552256     -3.164354      8.218392
  H      -2.233138     -3.045420     -0.840268
  H      -1.448840     -0.744550     -1.131325
  H      -1.356581      0.840187      0.790543
  H      -1.959940      0.054333      3.067059
  H      -2.651876     -2.149624      5.696895
  H      -6.146523     -7.757101      6.197510
  H      -8.412772     -7.132427      6.927736
  H      -9.444300     -4.984671      6.200674
  H      -8.181384     -3.453097      4.672259
  H      -6.173868     -2.043884      4.421808
  H       0.407403     -6.311684      5.543623
  H       0.930177     -5.799962      7.890153
  H      -0.616410     -4.396398      9.256871
  H      -2.738611     -3.591380      8.295818
  H      -5.297351     -2.980218      5.888062
  N      -5.469969     -4.755924      2.516273
  H      -5.421519     -4.080967      1.721346
73
Coordinates from ORCA-job orca E -7298.251415407082
  N      -3.043913     -4.075741      1.597257
  C      -3.330801     -4.947512      0.454904
  C      -3.786989     -6.314085      0.950420
  N      -3.203158     -6.537517      2.303407
  C      -3.807180     -7.745202      2.959615
  C      -3.994777     -7.501963      4.455465
  N      -4.566130     -6.172360      4.570175
  Mo     -3.598150     -4.677191      3.546675
  N      -1.835926     -5.421946      4.242086
  C      -1.042290     -6.394116      3.491512
  C      -1.718490     -6.642963      2.163762
  H      -0.950780     -7.322339      4.079835
  H      -0.021543     -6.016854      3.317759
  H      -1.459688     -7.631572      1.755249
  H      -1.402414     -5.882019      1.445777
  H      -4.657300     -8.274096      4.868691
  H      -3.042730     -7.552686      5.004291
  H      -4.794282     -7.896286      2.505822
  H      -3.187123     -8.630754      2.756401
  H      -2.425473     -5.044158     -0.165703
  H      -4.104890     -4.501415     -0.192021
  H      -3.465977     -7.115826      0.266365
  H      -4.874627     -6.362083      1.057927
  C      -2.497776     -2.866528      1.319555
  C      -2.129692     -2.403057      0.030083
  C      -1.699015     -1.098840     -0.132133
  C      -1.633993     -0.199219      0.955682
  C      -1.953390     -0.636606      2.223093
  C      -2.327139     -1.984156      2.424963
  N      -2.649919     -2.515645      3.652056
  C      -2.137465     -1.998058      4.748847
  C      -0.877908     -1.263876      4.918821
  O      -0.666674     -0.449108      5.775042
  Cl      0.490486     -1.902273      3.903719
  C      -5.844881     -5.960387      5.009616
  C      -6.586907     -6.825006      5.845733
  C      -7.860923     -6.463748      6.263903
  C      -8.441540     -5.251165      5.862475
  C      -7.739263     -4.385732      5.024107
  C      -6.456586     -4.737261      4.629883
  N      -5.720758     -3.971811      3.623532
  C      -5.937062     -2.577749      3.509202
  C      -5.790641     -1.927134      2.283166
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  C      -0.313544     -5.766786      6.148691
  C      -0.018368     -5.469283      7.468536
  C      -0.892494     -4.681559      8.242225
  C      -2.087047     -4.234861      7.707365
  C      -2.436363     -4.576948      6.386403
  N      -3.595771     -4.153196      5.751094
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  C      -5.141275     -4.168148      7.695472
  O      -4.774352     -5.108308      8.347770
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  H      -2.230218     -3.046581     -0.841107
  H      -1.452918     -0.743490     -1.133941
  H      -1.367864      0.843660      0.786486
  H      -1.970203      0.058448      3.063067
  H      -2.647489     -2.154773      5.695525
  H      -6.145412     -7.756936      6.196940
  H      -8.410697     -7.131022      6.928352
  H      -9.440962     -4.981762      6.203024
  H      -8.177732     -3.450782      4.674589
  H      -6.172799     -2.043561      4.421458
  H       0.404011     -6.323366      5.549365
  H       0.923307     -5.813476      7.897515
  H      -0.620825     -4.404322      9.260675
  H      -2.739552     -3.593333      8.295610
  H      -5.292249     -2.975936      5.886815
  N      -5.468489     -4.755197      2.516912
  H      -5.421260     -4.077263      1.724929
73
Coordinates from ORCA-job orca E -7298.251425539205
  N      -3.041650     -4.076230      1.597886
  C      -3.328313     -4.948800      0.455355
  C      -3.785204     -6.315492      0.950484
  N      -3.202584     -6.538226      2.304142
  C      -3.807861     -7.745033      2.960195
  C      -3.995531     -7.502211      4.455589
  N      -4.565128     -6.171191      4.568935
  Mo     -3.595854     -4.677009      3.546267
  N      -1.834342     -5.424161      4.243478
  C      -1.041058     -6.395820      3.492138
  C      -1.717987     -6.644904      2.164711
  H      -0.948671     -7.324166      4.080231
  H      -0.020423     -6.018246      3.318151
  H      -1.459890     -7.633850      1.756566
  H      -1.401273     -5.884398      1.446498
  H      -4.659549     -8.273181      4.868470
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  H      -3.189371     -8.631355      2.755435
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  H      -4.102191     -4.500827     -0.190473
  H      -3.462671     -7.117980      0.268027
  H      -4.872983     -6.364849      1.056556
  C      -2.497399     -2.866179      1.318656
  C      -2.130555     -2.402818      0.029017
  C      -1.703967     -1.097166     -0.134051
  C      -1.642228     -0.196624      0.953073
  C      -1.960040     -0.634240      2.221038
  C      -2.328913     -1.982715      2.423513
  N      -2.648251     -2.516412      3.651102
  C      -2.136026     -1.998590      4.747617
  C      -0.880116     -1.256986      4.916534
  O      -0.674661     -0.436282      5.768331
  Cl      0.490943     -1.889998      3.902288
  C      -5.843478     -5.958975      5.009672
  C      -6.585673     -6.823005      5.846086
  C      -7.859340     -6.460938      6.264461
  C      -8.439475     -5.248104      5.862846
  C      -7.736872     -4.383182      5.024312
  C      -6.454471     -4.735541      4.629678
  N      -5.718368     -3.970491      3.623265
  C      -5.934411     -2.576603      3.509125
  C      -5.787986     -1.924107      2.284262
  O      -5.566624     -2.390531      1.162552
  Cl     -5.947029     -0.120852      2.465770
  C      -1.508567     -5.286559      5.569262
  C      -0.314927     -5.773022      6.151807
  C      -0.021147     -5.475824      7.471991
  C      -0.894643     -4.686018      8.244380
  C      -2.087741     -4.237450      7.707961
  C      -2.436319     -4.579925      6.386814
  N      -3.594763     -4.155532      5.750161
  C      -4.662454     -3.701638      6.388108
  C      -5.140213     -4.169688      7.694057
  O      -4.774761     -5.111510      8.345022
  Cl     -6.548567     -3.162551      8.216207
  H      -2.228830     -3.047073     -0.841902
  H      -1.458808     -0.741776     -1.136077
  H      -1.379562      0.847072      0.783453
  H      -1.978995      0.062002      3.059987
  H      -2.642923     -2.160735      5.695112
  H      -6.144666     -7.755017      6.197736
  H      -8.409384     -7.127695      6.929219
  H      -9.438728     -4.978244      6.203570
  H      -8.174777     -3.448105      4.674376
  H      -6.170355     -2.043434      4.421969
  H       0.402337     -6.330854      5.553247
  H       0.919190     -5.821681      7.902624
  H      -0.623127     -4.408751      9.262876
  H      -2.740231     -3.594236      8.294416
  H      -5.289008     -2.974782      5.886555
  N      -5.465186     -4.754774      2.516478
  H      -5.419396     -4.077101      1.723958
73
Coordinates from ORCA-job orca E -7298.251429581663
  N      -3.040575     -4.076620      1.598173
  C      -3.327127     -4.949127      0.455568
  C      -3.784126     -6.315746      0.950288
  N      -3.202605     -6.538542      2.304546
  C      -3.809183     -7.744606      2.960233
  C      -3.996388     -7.502501      4.455633
  N      -4.564906     -6.170864      4.568872
  Mo     -3.594601     -4.677075      3.546431
  N      -1.833340     -5.425411      4.244182
  C      -1.040625     -6.397312      3.492768
  C      -1.718047     -6.646399      2.165453
  H      -0.947842     -7.325682      4.080749
  H      -0.020081     -6.019573      3.318432
  H      -1.460841     -7.635749      1.757697
  H      -1.400626     -5.886538      1.446879
  H      -4.662097     -8.272607      4.867477
  H      -3.046204     -7.556186      5.007383
  H      -4.797141     -7.892906      2.507325
  H      -3.191701     -8.631570      2.754782
  H      -2.422054     -5.046116     -0.165234
  H      -4.101312     -4.501029     -0.189799
  H      -3.460769     -7.118342      0.268384
  H      -4.872298     -6.365095      1.055451
  C      -2.497289     -2.866193      1.318632
  C      -2.131461     -2.402253      0.029002
  C      -1.706680     -1.095918     -0.134019
  C      -1.645452     -0.195544      0.953129
  C      -1.961821     -0.633842      2.221338
  C      -2.329187     -1.982603      2.423546
  N      -2.647126     -2.517188      3.651193
  C      -2.134817     -1.999378      4.747471
  C      -0.881328     -1.252947      4.914830
  O      -0.677770     -0.432520      5.767249
  Cl      0.491424     -1.884815      3.902464
  C      -5.843118     -5.958169      5.009746
  C      -6.585557     -6.821665      5.846348
  C      -7.859286     -6.459193      6.264299
  C      -8.439103     -5.246486      5.862003
  C      -7.736080     -4.381976      5.023337
  C      -6.453671     -4.734689      4.629222
  N      -5.717324     -3.969924      3.622767
  C      -5.932565     -2.576299      3.508377
  C      -5.785699     -1.924014      2.283377
  O      -5.567149     -2.391091      1.161409
  Cl     -5.949381     -0.120877      2.464038
  C      -1.508117     -5.287756      5.569885
  C      -0.314651     -5.774450      6.152799
  C      -0.021029     -5.476935      7.472910
  C      -0.894347     -4.686460      8.244813
  C      -2.087205     -4.237739      7.707963
  C      -2.435821     -4.580839      6.386979
  N      -3.594446     -4.156955      5.749839
  C      -4.661907     -3.702734      6.388292
  C      -5.140163     -4.172102      7.693647
  O      -4.773623     -5.113057      8.345256
  Cl     -6.548521     -3.165064      8.216206
  H      -2.228948     -3.046493     -0.842025
  H      -1.462443     -0.740086     -1.136119
  H      -1.384242      0.848546      0.783689
  H      -1.980600      0.062446      3.060246
  H      -2.639238     -2.164979      5.695675
  H      -6.144844     -7.753549      6.198728
  H      -8.409623     -7.125522      6.929246
  H      -9.438455     -4.976482      6.202340
  H      -8.173506     -3.446831      4.672942
  H      -6.168236     -2.042876      4.421153
  H       0.402552     -6.332527      5.554386
  H       0.919080     -5.822924      7.903955
  H      -0.622684     -4.408917      9.263195
  H      -2.739630     -3.593783      8.293639
  H      -5.288507     -2.975946      5.886737
  N      -5.463817     -4.754421      2.517008
  H      -5.419679     -4.076576      1.724169
73
Coordinates from ORCA-job orca E -7298.251431809688
  N      -3.039803     -4.077042      1.598206
  C      -3.326117     -4.949295      0.455365
  C      -3.783063     -6.315995      0.949695
  N      -3.202436     -6.538912      2.304484
  C      -3.809765     -7.744516      2.960026
  C      -3.996316     -7.502402      4.455603
  N      -4.564520     -6.170622      4.569097
  Mo     -3.593922     -4.677101      3.546347
  N      -1.833052     -5.426294      4.244205
  C      -1.040755     -6.398906      3.493297
  C      -1.717935     -6.647577      2.165794
  H      -0.948532     -7.327296      4.081270
  H      -0.020046     -6.021549      3.319075
  H      -1.461351     -7.637182      1.758239
  H      -1.399910     -5.888100      1.447063
  H      -4.662863     -8.272044      4.867019
  H      -3.046207     -7.556812      5.007249
  H      -4.797755     -7.892590      2.507204
  H      -3.192754     -8.631915      2.754758
  H      -2.420650     -5.045323     -0.165028
  H      -4.100439     -4.501710     -0.190204
  H      -3.459317     -7.118452      0.267860
  H      -4.871098     -6.364826      1.054254
  C      -2.497303     -2.866255      1.318630
  C      -2.132230     -2.401896      0.028955
  C      -1.708660     -1.095157     -0.134133
  C      -1.647773     -0.194809      0.952946
  C      -1.963205     -0.633508      2.221287
  C      -2.329351     -1.982562      2.423529
  N      -2.646741     -2.517263      3.651281
  C      -2.135048     -1.999012      4.747518
  C      -0.882755     -1.250271      4.914467
  O      -0.681094     -0.428330      5.765844
  Cl      0.491238     -1.880320      3.902775
  C      -5.842636     -5.957816      5.009953
  C      -6.585062     -6.821142      5.846703
  C      -7.858921     -6.458633      6.264379
  C      -8.438699     -5.246054      5.861743
  C      -7.735542     -4.381594      5.023110
  C      -6.453015     -4.734275      4.629411
  N      -5.716651     -3.969671      3.622899
  C      -5.931716     -2.576165      3.508525
  C      -5.785883     -1.924557      2.283019
  O      -5.567773     -2.392174      1.161168
  Cl     -5.947785     -0.121188      2.463059
  C      -1.508203     -5.288820      5.570107
  C      -0.314857     -5.775899      6.153033
  C      -0.021332     -5.478925      7.473298
  C      -0.894677     -4.688626      8.245337
  C      -2.087298     -4.239397      7.708363
  C      -2.435680     -4.581832      6.387175
  N      -3.593905     -4.157064      5.749696
  C      -4.660807     -3.701753      6.388258
  C      -5.139087     -4.170090      7.694046
  O      -4.773968     -5.111441      8.345769
  Cl     -6.548315     -3.163137      8.214810
  H      -2.229376     -3.046183     -0.842070
  H      -1.465227     -0.739052     -1.136335
  H      -1.387720      0.849562      0.783474
  H      -1.982110      0.062734      3.060224
  H      -2.638819     -2.165542      5.695848
  H      -6.144412     -7.752931      6.199391
  H      -8.409352     -7.124818      6.929388
  H      -9.438163     -4.976167      6.201844
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  H      -6.166544     -2.042304      4.421254
  H       0.402359     -6.333875      5.554556
  H       0.918637     -5.825245      7.904371
  H      -0.623222     -4.411736      9.263947
  H      -2.739739     -3.595524      8.294150
  H      -5.286747     -2.974320      5.886865
  N      -5.462745     -4.754311      2.517043
  H      -5.418268     -4.075995      1.724530
