89
Coordinates from ORCA-job orca E -6144.602819485183
  N      -2.599962      4.399255      7.346714
  Mo     -2.244497      2.859244      6.154403
  N      -2.451401      1.464545      7.523192
  C      -1.380160      1.273427      8.475534
  C      -0.651260      2.595688      8.722294
  N      -0.376325      3.269451      7.445224
  C      -0.256771      4.718721      7.637455
  C      -1.645202      5.286000      7.945468
  C       0.832768      2.744971      6.801810
  C       0.533865      2.695641      5.296203
  N      -0.726226      2.013444      5.159393
  H      -1.737151      6.308600      7.539852
  H      -1.816074      5.360364      9.034066
  H       0.110561      5.151875      6.704239
  H       0.454481      4.949290      8.440981
  H       1.349722      2.197849      4.760105
  H       0.451911      3.718865      4.904315
  H       1.011105      1.722813      7.144528
  H       1.710793      3.357291      7.029658
  H      -1.754430      0.903203      9.440835
  H      -0.668450      0.517594      8.095722
  H      -1.310113      3.233539      9.315019
  H       0.276544      2.430607      9.283566
  C      -3.971773      4.726618      7.584380
  C      -4.727517      3.938551      6.568820
  C      -5.974842      4.192833      6.148260
  C      -6.634081      3.542740      5.041935
  N      -5.847122      2.997135      4.095086
  C      -6.438812      2.482707      3.023154
  N      -7.704808      2.494177      2.720331
  C      -8.545245      3.010136      3.658397
  C      -9.925599      3.002972      3.408620
  C     -10.798732      3.490716      4.349602
  C     -10.320891      3.995811      5.561725
  C      -8.973594      4.022471      5.826964
  C      -8.050823      3.548533      4.879178
  C      -0.642713      0.723183      4.495792
  C      -1.398653     -0.368234      5.187232
  C      -2.341643     -1.177862      4.668926
  C      -2.976848     -1.122369      3.373548
  N      -2.927822      0.026421      2.677128
  C      -3.642877      0.111513      1.562169
  N      -4.434062     -0.786008      1.047069
  C      -4.474514     -1.990470      1.677468
  C      -5.278404     -3.006685      1.137097
  C      -5.312644     -4.243793      1.729430
  C      -4.542225     -4.502392      2.867597
  C      -3.758538     -3.520928      3.423492
  C      -3.716693     -2.234798      2.858364
  C      -3.559269      0.547970      7.717601
  C      -4.766598      1.253441      8.259682
  C      -6.010727      1.271074      7.749919
  C      -6.507376      0.689792      6.524154
  N      -5.630709      0.271991      5.598084
  C      -6.109546     -0.159046      4.436080
  N      -7.352134     -0.348299      4.096631
  C      -8.285024      0.018098      5.015769
  C      -9.641585     -0.153466      4.696703
  C     -10.614376      0.225485      5.587068
  C     -10.259644      0.776167      6.821534
  C      -8.940034      0.951086      7.157910
  C      -7.913706      0.579375      6.270453
  H      -4.165325      5.810369      7.468247
  H      -4.280574      4.457125      8.617962
  H      -4.136980      3.083270      6.200743
  H      -6.541067      4.975331      6.641548
  H      -5.772949      2.038529      2.287933
  H     -10.264952      2.595527      2.469659
  H     -11.859954      3.481417      4.155657
  H     -11.017920      4.368391      6.296220
  H      -8.618986      4.405848      6.772016
  H       0.409491      0.396189      4.470881
  H      -0.980690      0.802477      3.452176
  H      -1.058251     -0.583711      6.192184
  H      -2.694667     -1.985223      5.297338
  H      -3.571517      1.061817      1.037660
  H      -5.847345     -2.778728      0.250105
  H      -5.927496     -5.026076      1.312174
  H      -4.561529     -5.487585      3.310668
  H      -3.157599     -3.746469      4.290951
  H      -3.285875     -0.245939      8.432036
  H      -3.823777      0.068751      6.775009
  H      -4.597721      1.778492      9.193624
  H      -6.758605      1.803804      8.320682
  H      -5.373414     -0.405727      3.689888
  H      -9.877483     -0.580341      3.734582
  H     -11.655612      0.097123      5.337193
  H     -11.030693      1.064288      7.518365
  H      -8.696235      1.366627      8.123841
89
Coordinates from ORCA-job orca E -6144.619623415523
  N      -2.568597      4.448873      7.319440
  Mo     -2.205183      2.868536      6.182811
  N      -2.439673      1.488632      7.565640
  C      -1.366221      1.309839      8.530975
  C      -0.638832      2.629288      8.774523
  N      -0.344711      3.286421      7.483474
  C      -0.220980      4.749140      7.642006
  C      -1.607649      5.338629      7.914281
  C       0.871747      2.736716      6.851584
  C       0.582871      2.678391      5.346385
  N      -0.691089      2.002867      5.198694
  H      -1.679273      6.354326      7.482904
  H      -1.794355      5.443645      9.002384
  H       0.164898      5.154842      6.698484
  H       0.487935      4.993948      8.449637
  H       1.399129      2.165762      4.815259
  H       0.522774      3.705986      4.949064
  H       1.036969      1.714349      7.212749
  H       1.757712      3.346632      7.083820
  H      -1.750824      0.949845      9.499214
  H      -0.646471      0.545168      8.167914
  H      -1.301492      3.281685      9.354019
  H       0.287407      2.468716      9.349716
  C      -3.955673      4.789151      7.523447
  C      -4.702167      3.976250      6.511935
  C      -5.940986      4.221642      6.051078
  C      -6.582292      3.522302      4.955223
  N      -5.786601      2.909414      4.057055
  C      -6.373833      2.329796      2.999723
  N      -7.652730      2.318960      2.687118
  C      -8.496332      2.903776      3.587980
  C      -9.883078      2.903906      3.326607
  C     -10.759362      3.481678      4.221886
  C     -10.280588      4.072965      5.404430
  C      -8.928924      4.093999      5.680257
  C      -8.002602      3.532483      4.773574
  C      -0.635679      0.702367      4.535372
  C      -1.450219     -0.365354      5.201473
  C      -2.408901     -1.140971      4.645160
  C      -3.002953     -1.053348      3.320947
  N      -2.893479      0.096914      2.630952
  C      -3.565628      0.207640      1.475662
  N      -4.367219     -0.675717      0.919250
  C      -4.465510     -1.881252      1.553198
  C      -5.278843     -2.883279      0.981005
  C      -5.369654     -4.124014      1.574184
  C      -4.645834     -4.404581      2.748138
  C      -3.855112     -3.438843      3.335961
  C      -3.758096     -2.146688      2.770248
  C      -3.551500      0.559552      7.770538
  C      -4.774490      1.228492      8.331629
  C      -6.033923      1.207389      7.846785
  C      -6.548402      0.600554      6.629268
  N      -5.687463      0.175350      5.690990
  C      -6.186769     -0.282549      4.535009
  N      -7.450485     -0.460107      4.211569
  C      -8.366484     -0.075284      5.148641
  C      -9.737965     -0.251864      4.865665
  C     -10.691806      0.121117      5.787791
  C     -10.304567      0.672852      7.022024
  C      -8.971031      0.852795      7.324240
  C      -7.963968      0.483076      6.404134
  H      -4.142026      5.872376      7.373865
  H      -4.284572      4.551371      8.562170
  H      -4.120936      3.096662      6.175217
  H      -6.513928      5.028878      6.511296
  H      -5.698575      1.827430      2.300814
  H     -10.225608      2.429620      2.409675
  H     -11.828382      3.475931      4.016737
  H     -10.982827      4.515183      6.108846
  H      -8.572319      4.544584      6.604676
  H       0.412708      0.344628      4.531114
  H      -0.952115      0.793812      3.486946
  H      -1.149948     -0.597132      6.224630
  H      -2.810563     -1.943771      5.263104
  H      -3.442834      1.161214      0.952041
  H      -5.811958     -2.640244      0.064758
  H      -5.994427     -4.896374      1.129501
  H      -4.708033     -5.396062      3.193697
  H      -3.289138     -3.684496      4.231496
  H      -3.250717     -0.225324      8.489216
  H      -3.812528      0.066366      6.830979
  H      -4.604992      1.770198      9.266054
  H      -6.784015      1.737270      8.432387
  H      -5.449260     -0.547340      3.776262
  H     -10.001264     -0.682349      3.902092
  H     -11.748402     -0.011290      5.563191
  H     -11.064481      0.960257      7.746017
  H      -8.700007      1.270296      8.291367
89
Coordinates from ORCA-job orca E -6144.627222567260
  N      -2.561079      4.460205      7.305325
  Mo     -2.177854      2.850345      6.219961
  N      -2.424031      1.486567      7.615094
  C      -1.344977      1.324809      8.587120
  C      -0.624115      2.645919      8.817551
  N      -0.324827      3.290072      7.512745
  C      -0.212006      4.763694      7.643087
  C      -1.600196      5.357766      7.894804
  C       0.897761      2.731884      6.879622
  C       0.610284      2.671448      5.376634
  N      -0.668458      1.994188      5.223187
  H      -1.664941      6.367662      7.446483
  H      -1.794248      5.483495      8.981990
  H       0.181164      5.147970      6.690888
  H       0.497345      5.024885      8.448320
  H       1.425274      2.155260      4.841180
  H       0.559437      3.702218      4.980091
  H       1.061454      1.711997      7.254034
  H       1.784062      3.346159      7.114471
  H      -1.732509      0.976988      9.560511
  H      -0.620111      0.553404      8.239180
  H      -1.289285      3.310905      9.384090
  H       0.303393      2.498702      9.399521
  C      -3.964090      4.789331      7.488260
  C      -4.698057      3.948985      6.482505
  C      -5.932997      4.174042      5.995515
  C      -6.551491      3.445748      4.899200
  N      -5.742734      2.839122      4.013052
  C      -6.321907      2.240114      2.950392
  N      -7.610518      2.191537      2.640616
  C      -8.461807      2.765004      3.543558
  C      -9.855758      2.731240      3.292793
  C     -10.741262      3.302554      4.187837
  C     -10.267292      3.923678      5.364740
  C      -8.910748      3.978801      5.629897
  C      -7.975956      3.423441      4.720537
  C      -0.635458      0.693052      4.552068
  C      -1.497859     -0.349630      5.198450
  C      -2.470978     -1.092068      4.611806
  C      -3.031049     -0.972823      3.268384
  N      -2.871645      0.178852      2.591510
  C      -3.506533      0.313123      1.407915
  N      -4.315356     -0.552356      0.813638
  C      -4.463114     -1.757755      1.445237
  C      -5.286080     -2.742619      0.845470
  C      -5.428182     -3.984953      1.433546
  C      -4.745897     -4.287997      2.633167
  C      -3.947509     -3.340273      3.248237
  C      -3.800240     -2.045333      2.686831
  C      -3.546569      0.564448      7.831429
  C      -4.757207      1.264392      8.381658
  C      -6.021714      1.241336      7.904134
  C      -6.552653      0.549454      6.731713
  N      -5.703365     -0.019584      5.864581
  C      -6.210037     -0.585286      4.752047
  N      -7.484629     -0.712505      4.411383
  C      -8.388295     -0.164689      5.280312
  C      -9.769071     -0.278374      4.985513
  C     -10.712687      0.248297      5.845984
  C     -10.309212      0.898099      7.033720
  C      -8.968028      1.020527      7.347584
  C      -7.971472      0.493365      6.487549
  H      -4.159148      5.868041      7.313206
  H      -4.299716      4.572336      8.530242
  H      -4.125256      3.052516      6.165589
  H      -6.518078      4.984300      6.442127
  H      -5.635014      1.746905      2.253474
  H     -10.195838      2.234619      2.381292
  H     -11.815725      3.268398      3.989582
  H     -10.977734      4.359293      6.071980
  H      -8.557567      4.449065      6.550444
  H       0.408551      0.312638      4.559769
  H      -0.939361      0.799203      3.501730
  H      -1.233450     -0.593922      6.232943
  H      -2.913441     -1.886315      5.218715
  H      -3.341764      1.267334      0.891980
  H      -5.787074     -2.484242     -0.090035
  H      -6.061844     -4.742707      0.965784
  H      -4.847452     -5.281583      3.076462
  H      -3.414796     -3.605213      4.163173
  H      -3.242191     -0.206389      8.566743
  H      -3.813199      0.053625      6.901081
  H      -4.574034      1.855529      9.288503
  H      -6.755617      1.837790      8.451770
  H      -5.467392     -0.986035      4.050521
  H     -10.047685     -0.788236      4.060735
  H     -11.776490      0.162754      5.609935
  H     -11.063374      1.308243      7.710182
  H      -8.683597      1.517711      8.276687
89
Coordinates from ORCA-job orca E -6144.633890541882
  N      -2.548278      4.484259      7.287248
  Mo     -2.154989      2.842660      6.259290
  N      -2.415728      1.491851      7.661325
  C      -1.331717      1.341663      8.635826
  C      -0.615312      2.662964      8.855113
  N      -0.310521      3.292262      7.538933
  C      -0.198554      4.772947      7.640409
  C      -1.582838      5.382347      7.870513
  C       0.912609      2.719253      6.904869
  C       0.626530      2.657473      5.404026
  N      -0.658133      1.988768      5.247482
  H      -1.631309      6.385163      7.403762
  H      -1.783923      5.532051      8.954286
  H       0.204161      5.130775      6.681223
  H       0.512289      5.045242      8.441406
  H       1.435189      2.133080      4.864496
  H       0.589919      3.689125      5.006810
  H       1.067841      1.703008      7.293571
  H       1.800903      3.331888      7.141845
  H      -1.720316      1.001042      9.612268
  H      -0.604870      0.566390      8.297901
  H      -1.278758      3.341548      9.409233
  H       0.312911      2.525864      9.439991
  C      -3.961337      4.814051      7.440546
  C      -4.686250      3.947884      6.444247
  C      -5.910471      4.157260      5.924146
  C      -6.506115      3.376239      4.848111
  N      -5.685953      2.680792      4.047906
  C      -6.247437      2.017268      3.007920
  N      -7.530139      1.979168      2.653981
  C      -8.390337      2.652101      3.476560
  C      -9.776713      2.654355      3.171402
  C     -10.670677      3.335197      3.977131
  C     -10.216653      4.034552      5.121764
  C      -8.869512      4.055036      5.439281
  C      -7.924823      3.387779      4.616393
  C      -0.653195      0.691043      4.568294
  C      -1.562389     -0.322718      5.195979
  C      -2.547847     -1.033761      4.585640
  C      -3.082699     -0.890022      3.231494
  N      -2.892147      0.263477      2.568934
  C      -3.498100      0.412018      1.367636
  N      -4.304735     -0.440832      0.742463
  C      -4.482534     -1.646510      1.368365
  C      -5.305185     -2.620804      0.745984
  C      -5.478000     -3.865137      1.324600
  C      -4.825700     -4.183815      2.539555
  C      -4.028744     -3.247082      3.176493
  C      -3.853638     -1.949343      2.624280
  C      -3.534326      0.561500      7.877594
  C      -4.745097      1.243646      8.447446
  C      -6.021280      1.204477      7.997496
  C      -6.568004      0.513700      6.825846
  N      -5.732149     -0.022119      5.929272
  C      -6.256947     -0.586512      4.819459
  N      -7.540697     -0.725509      4.503258
  C      -8.427710     -0.210765      5.408338
  C      -9.816405     -0.352403      5.154495
  C     -10.745788      0.125365      6.058552
  C     -10.322618      0.757175      7.252807
  C      -8.974812      0.909495      7.526977
  C      -7.992401      0.429218      6.620697
  H      -4.153808      5.887320      7.233558
  H      -4.309557      4.626011      8.483222
  H      -4.134412      3.026082      6.151696
  H      -6.495022      4.991600      6.326146
  H      -5.551647      1.452229      2.378000
  H     -10.103535      2.097351      2.288964
  H     -11.737983      3.327589      3.736389
  H     -10.935564      4.555223      5.761044
  H      -8.532830      4.585898      6.333401
  H       0.382465      0.284826      4.586693
  H      -0.943784      0.814743      3.516120
  H      -1.330670     -0.578112      6.236489
  H      -3.020707     -1.818543      5.182720
  H      -3.309154      1.366446      0.861765
  H      -5.782324     -2.352221     -0.200481
  H      -6.111920     -4.612421      0.838307
  H      -4.949666     -5.178544      2.976513
  H      -3.520040     -3.525446      4.101917
  H      -3.208644     -0.208508      8.605882
  H      -3.800396      0.049878      6.947523
  H      -4.557552      1.835499      9.354470
  H      -6.749610      1.784566      8.570206
  H      -5.519372     -0.964783      4.098251
  H     -10.112858     -0.846993      4.225653
  H     -11.814938      0.016824      5.853068
  H     -11.066684      1.130094      7.962877
  H      -8.673527      1.390800      8.459713
89
Coordinates from ORCA-job orca E -6144.640023147714
  N      -2.555008      4.487490      7.275165
  Mo     -2.152052      2.824264      6.292655
  N      -2.410648      1.482231      7.699944
  C      -1.322268      1.338449      8.668218
  C      -0.612844      2.664161      8.874513
  N      -0.315198      3.284219      7.552304
  C      -0.208102      4.766611      7.637968
  C      -1.590316      5.382168      7.860553
  C       0.905204      2.709420      6.913582
  C       0.620358      2.655051      5.413291
  N      -0.664898      1.994973      5.251037
  H      -1.629405      6.383303      7.389686
  H      -1.794610      5.538975      8.941871
  H       0.197074      5.110645      6.675894
  H       0.503910      5.046244      8.434184
  H       1.424981      2.129811      4.870093
  H       0.591557      3.687443      5.019539
  H       1.056979      1.694639      7.305046
  H       1.791999      3.320722      7.155202
  H      -1.704994      1.000999      9.647965
  H      -0.596364      0.563710      8.332180
  H      -1.274574      3.348464      9.422106
  H       0.318361      2.538275      9.455316
  C      -3.968185      4.810988      7.416027
  C      -4.687045      3.930816      6.429438
  C      -5.906319      4.137982      5.896756
  C      -6.495567      3.346360      4.826228
  N      -5.673037      2.630144      4.050206
  C      -6.226462      1.959232      3.012965
  N      -7.502564      1.923793      2.646927
  C      -8.366554      2.616375      3.447004
  C      -9.747604      2.624571      3.123509
  C     -10.644454      3.328613      3.901721
  C     -10.200070      4.045771      5.037436
  C      -8.858933      4.060112      5.372519
  C      -7.910844      3.368265      4.577237
  C      -0.671687      0.709641      4.553163
  C      -1.609586     -0.285736      5.167057
  C      -2.597069     -0.984731      4.547166
  C      -3.116076     -0.843587      3.190050
  N      -2.918786      0.307532      2.525334
  C      -3.503161      0.444757      1.315317
  N      -4.291564     -0.414046      0.679230
  C      -4.478449     -1.615031      1.310144
  C      -5.287340     -2.594608      0.681398
  C      -5.469475     -3.833549      1.265451
  C      -4.839901     -4.141589      2.492817
  C      -4.056719     -3.198953      3.135430
  C      -3.874527     -1.907247      2.577234
  C      -3.525783      0.551741      7.919974
  C      -4.730581      1.226686      8.505652
  C      -6.011725      1.179803      8.073483
  C      -6.565256      0.475491      6.914105
  N      -5.732877     -0.088564      6.033098
  C      -6.257296     -0.668773      4.933428
  N      -7.537618     -0.782828      4.605976
  C      -8.421313     -0.235135      5.493241
  C      -9.808843     -0.351192      5.226292
  C     -10.736886      0.152929      6.114180
  C     -10.315133      0.788985      7.304904
  C      -8.969211      0.919634      7.590555
  C      -7.988217      0.411098      6.700565
  H      -4.163767      5.879534      7.191637
  H      -4.319454      4.636821      8.458792
  H      -4.154816      2.990286      6.149597
  H      -6.486762      4.980834      6.282866
  H      -5.528038      1.384689      2.397568
  H     -10.067437      2.054144      2.249138
  H     -11.706853      3.325773      3.647364
  H     -10.922003      4.583522      5.655748
  H      -8.530850      4.602980      6.260334
  H       0.356068      0.287101      4.580818
  H      -0.948251      0.850632      3.498758
  H      -1.400371     -0.541595      6.210263
  H      -3.084047     -1.759738      5.143292
  H      -3.318964      1.400071      0.812411
  H      -5.747478     -2.334381     -0.273896
  H      -6.093364     -4.583708      0.774503
  H      -4.970814     -5.131224      2.935296
  H      -3.566354     -3.467665      4.071784
  H      -3.190161     -0.221773      8.639311
  H      -3.796700      0.044860      6.989411
  H      -4.533720      1.828842      9.401710
  H      -6.732346      1.766356      8.645993
  H      -5.519701     -1.073513      4.229283
  H     -10.105470     -0.849085      4.301187
  H     -11.804009      0.062897      5.898841
  H     -11.058509      1.183431      8.001074
  H      -8.668451      1.406391      8.518663
89
Coordinates from ORCA-job orca E -6144.645959152988
  N      -2.575344      4.475532      7.276240
  Mo     -2.149113      2.798745      6.335664
  N      -2.392058      1.459495      7.744559
  C      -1.298262      1.327332      8.705730
  C      -0.604025      2.662468      8.895543
  N      -0.323852      3.276473      7.566532
  C      -0.232493      4.761194      7.641680
  C      -1.616614      5.371777      7.864575
  C       0.896584      2.712098      6.916768
  C       0.609552      2.668936      5.417408
  N      -0.673066      2.010037      5.249940
  H      -1.654196      6.373231      7.393468
  H      -1.820941      5.530475      8.945237
  H       0.168802      5.098969      6.676536
  H       0.481522      5.050959      8.431958
  H       1.413386      2.150785      4.867206
  H       0.580932      3.703904      5.030950
  H       1.053796      1.697830      7.305813
  H       1.778234      3.328039      7.163851
  H      -1.669973      0.990169      9.689995
  H      -0.568484      0.558067      8.369548
  H      -1.267857      3.347405      9.438834
  H       0.333527      2.554926      9.469053
  C      -3.989293      4.778943      7.403781
  C      -4.694375      3.881905      6.423585
  C      -5.913521      4.085679      5.885008
  C      -6.503298      3.294962      4.816308
  N      -5.684571      2.561525      4.054037
  C      -6.234605      1.900160      3.011242
  N      -7.502246      1.886833      2.629805
  C      -8.365812      2.595854      3.414784
  C      -9.741034      2.622128      3.072686
  C     -10.636752      3.339671      3.836406
  C     -10.197635      4.051806      4.975764
  C      -8.862640      4.047309      5.328920
  C      -7.915278      3.339229      4.550207
  C      -0.684166      0.741666      4.526029
  C      -1.636240     -0.242939      5.134384
  C      -2.623700     -0.942327      4.515550
  C      -3.138182     -0.813200      3.161389
  N      -2.946701      0.336688      2.489681
  C      -3.522729      0.458469      1.277954
  N      -4.294274     -0.411334      0.640690
  C      -4.478401     -1.608951      1.278738
  C      -5.273308     -2.598544      0.651099
  C      -5.451054     -3.833865      1.241714
  C      -4.829556     -4.127943      2.474142
  C      -4.059508     -3.174660      3.115118
  C      -3.884600     -1.886838      2.550905
  C      -3.497920      0.521790      7.959101
  C      -4.701036      1.191059      8.549751
  C      -5.984427      1.150313      8.123935
  C      -6.548435      0.453170      6.965583
  N      -5.727967     -0.130633      6.086886
  C      -6.261316     -0.704706      4.989310
  N      -7.539365     -0.787402      4.659861
  C      -8.412261     -0.218432      5.542832
  C      -9.799768     -0.295566      5.266289
  C     -10.717977      0.233697      6.146661
  C     -10.287355      0.858724      7.338697
  C      -8.941862      0.954603      7.631595
  C      -7.970691      0.420409      6.748253
  H      -4.198755      5.841246      7.163329
  H      -4.345111      4.613009      8.446198
  H      -4.182933      2.924891      6.150944
  H      -6.489374      4.934532      6.262918
  H      -5.537377      1.318342      2.403059
  H     -10.057007      2.054742      2.196156
  H     -11.694708      3.352115      3.568338
  H     -10.919706      4.600529      5.582364
  H      -8.539908      4.585615      6.220259
  H       0.339040      0.310102      4.554912
  H      -0.953199      0.898862      3.470994
  H      -1.436453     -0.495497      6.178862
  H      -3.113343     -1.709606      5.118586
  H      -3.351639      1.414872      0.773145
  H      -5.727297     -2.349177     -0.308984
  H      -6.064913     -4.591292      0.751419
  H      -4.955478     -5.114707      2.922310
  H      -3.573666     -3.432517      4.055807
  H      -3.158835     -0.259776      8.668374
  H      -3.767259      0.024503      7.024122
  H      -4.499955      1.795821      9.441715
  H      -6.696828      1.741127      8.700580
  H      -5.531593     -1.127983      4.289099
  H     -10.104148     -0.784253      4.339952
  H     -11.784770      0.172705      5.924921
  H     -11.024007      1.272843      8.028805
  H      -8.633179      1.435347      8.559315
89
Coordinates from ORCA-job orca E -6144.650710830123
  N      -2.611078      4.453387      7.286507
  Mo     -2.160750      2.770342      6.371323
  N      -2.382747      1.425764      7.777919
  C      -1.280306      1.301212      8.727997
  C      -0.602334      2.646497      8.904267
  N      -0.347698      3.263064      7.570594
  C      -0.272154      4.749697      7.649811
  C      -1.658942      5.348064      7.885157
  C       0.873616      2.717430      6.904444
  C       0.582880      2.692620      5.407058
  N      -0.697169      2.030501      5.233890
  H      -1.699577      6.355248      7.425493
  H      -1.859507      5.495207      8.968065
  H       0.120236      5.093695      6.683615
  H       0.445591      5.043365      8.435270
  H       1.388443      2.185682      4.849411
  H       0.550821      3.731444      5.031371
  H       1.039731      1.700442      7.282009
  H       1.749639      3.338044      7.159682
  H      -1.635930      0.960348      9.717001
  H      -0.547219      0.539463      8.384275
  H      -1.268926      3.325712      9.450933
  H       0.344182      2.556416      9.465891
  C      -4.022834      4.729610      7.406512
  C      -4.714002      3.823713      6.424268
  C      -5.935548      4.034878      5.886889
  C      -6.533755      3.272058      4.807354
  N      -5.721641      2.548601      4.026190
  C      -6.276375      1.927652      2.963021
  N      -7.538833      1.947851      2.574653
  C      -8.398630      2.644255      3.375776
  C      -9.770228      2.698178      3.026263
  C     -10.661882      3.401336      3.807759
  C     -10.220675      4.069484      4.971293
  C      -8.888288      4.036449      5.332037
  C      -7.945222      3.341386      4.538023
  C      -0.700457      0.780499      4.481518
  C      -1.643156     -0.210601      5.091854
  C      -2.618028     -0.931814      4.479701
  C      -3.127831     -0.828842      3.126527
  N      -2.958797      0.317507      2.441233
  C      -3.525219      0.408152      1.224050
  N      -4.264581     -0.489054      0.590035
  C      -4.429242     -1.681437      1.242755
  C      -5.193358     -2.697938      0.621760
  C      -5.350347     -3.926806      1.230298
  C      -4.737901     -4.186635      2.474230
  C      -3.997388     -3.206381      3.107865
  C      -3.845079     -1.925906      2.524884
  C      -3.478800      0.478222      7.987352
  C      -4.672163      1.145781      8.598763
  C      -5.958886      1.127474      8.184715
  C      -6.536024      0.464304      7.015895
  N      -5.724914     -0.115373      6.126152
  C      -6.268339     -0.656838      5.017226
  N      -7.544532     -0.708458      4.687702
  C      -8.409174     -0.142258      5.580312
  C      -9.795949     -0.180989      5.295212
  C     -10.705175      0.352051      6.181508
  C     -10.265530      0.942429      7.387261
  C      -8.920475      1.002190      7.687146
  C      -7.957927      0.464646      6.796910
  H      -4.248290      5.785605      7.158208
  H      -4.385732      4.562722      8.447237
  H      -4.224487      2.853976      6.150970
  H      -6.503677      4.885123      6.273241
  H      -5.584353      1.357010      2.339412
  H     -10.087167      2.163746      2.130110
  H     -11.717626      3.436636      3.534571
  H     -10.939385      4.607627      5.590606
  H      -8.565013      4.540901      6.242504
  H       0.324266      0.353044      4.505647
  H      -0.969064      0.948267      3.427549
  H      -1.439984     -0.453466      6.137403
  H      -3.095349     -1.699143      5.092229
  H      -3.379307      1.364295      0.710478
  H      -5.641523     -2.474495     -0.346933
  H      -5.941463     -4.704997      0.745576
  H      -4.847422     -5.168003      2.937427
  H      -3.517618     -3.435235      4.059259
  H      -3.135705     -0.319358      8.677311
  H      -3.757943     -0.001939      7.045208
  H      -4.456660      1.737926      9.495409
  H      -6.659103      1.715102      8.778280
  H      -5.548309     -1.080431      4.308533
  H     -10.106922     -0.642002      4.357503
  H     -11.771596      0.321382      5.954133
  H     -10.995728      1.359156      8.081960
  H      -8.604662      1.458037      8.624555
89
Coordinates from ORCA-job orca E -6144.655073824071
  N      -2.636951      4.432224      7.281095
  Mo     -2.153702      2.733668      6.414168
  N      -2.355180      1.403162      7.838308
  C      -1.247472      1.301037      8.784265
  C      -0.589337      2.658873      8.933854
  N      -0.357330      3.260744      7.587802
  C      -0.301886      4.751024      7.653977
  C      -1.696087      5.335205      7.886037
  C       0.870079      2.727471      6.918102
  C       0.581291      2.705714      5.419885
  N      -0.697690      2.038676      5.238865
  H      -1.741076      6.342528      7.426233
  H      -1.900760      5.482055      8.968485
  H       0.085208      5.092249      6.684544
  H       0.413894      5.060340      8.435465
  H       1.392046      2.205310      4.863605
  H       0.547306      3.745400      5.045825
  H       1.044345      1.711212      7.294552
  H       1.739736      3.355777      7.177869
  H      -1.590890      0.969642      9.780964
  H      -0.507453      0.543458      8.445704
  H      -1.263570      3.336119      9.473889
  H       0.363532      2.595253      9.488783
  C      -4.050945      4.680296      7.380167
  C      -4.716402      3.746947      6.403193
  C      -5.937350      3.947672      5.854766
  C      -6.524609      3.178264      4.776812
  N      -5.702437      2.440673      4.015768
  C      -6.240241      1.817453      2.944897
  N      -7.493480      1.849676      2.527901
  C      -8.365393      2.557988      3.307539
  C      -9.729167      2.617610      2.929795
  C     -10.634053      3.326161      3.693082
  C     -10.212830      3.992894      4.864817
  C      -8.887310      3.954158      5.252767
  C      -7.931392      3.253088      4.479501
  C      -0.705817      0.804841      4.460962
  C      -1.665895     -0.176531      5.061251
  C      -2.651642     -0.885854      4.449399
  C      -3.158883     -0.777234      3.096854
  N      -2.966009      0.365023      2.410497
  C      -3.526892      0.466152      1.191126
  N      -4.279831     -0.417474      0.554092
  C      -4.474088     -1.604447      1.208400
  C      -5.257866     -2.604923      0.585218
  C      -5.446186     -3.828418      1.196181
  C      -4.846513     -4.099131      2.444624
  C      -4.086593     -3.134666      3.080124
  C      -3.900975     -1.858977      2.494795
  C      -3.442101      0.448497      8.052919
  C      -4.626861      1.124969      8.671582
  C      -5.914593      1.117923      8.263897
  C      -6.497423      0.454017      7.099224
  N      -5.690391     -0.152827      6.224547
  C      -6.236976     -0.696182      5.116510
  N      -7.510972     -0.724433      4.777971
  C      -8.372225     -0.128441      5.655170
  C      -9.756136     -0.132668      5.352709
  C     -10.660285      0.438038      6.221196
  C     -10.217693      1.032131      7.425066
  C      -8.875097      1.059628      7.740207
  C      -7.917106      0.484791      6.867383
  H      -4.296552      5.726323      7.108560
  H      -4.428541      4.524366      8.418350
  H      -4.240706      2.765369      6.147375
  H      -6.509394      4.803212      6.225300
  H      -5.539057      1.234789      2.340527
  H     -10.030208      2.082783      2.028039
  H     -11.684266      3.366577      3.398799
  H     -10.941525      4.535421      5.469104
  H      -8.580339      4.457575      6.170012
  H       0.311792      0.359693      4.482594
  H      -0.966002      0.992869      3.408651
  H      -1.468910     -0.419545      6.108339
  H      -3.143452     -1.640729      5.066391
  H      -3.359692      1.418793      0.676683
  H      -5.696055     -2.373905     -0.386599
  H      -6.052799     -4.594087      0.709940
  H      -4.981030     -5.076839      2.909719
  H      -3.616804     -3.372175      4.034508
  H      -3.097095     -0.353171      8.737362
  H      -3.729318     -0.027883      7.111024
  H      -4.399125      1.723243      9.561614
  H      -6.607110      1.717435      8.854936
  H      -5.522319     -1.146715      4.418649
  H     -10.068579     -0.596009      4.416394
  H     -11.724682      0.434907      5.981368
  H     -10.944565      1.477892      8.105637
  H      -8.557260      1.520486      8.674807
89
Coordinates from ORCA-job orca E -6144.659004847089
  N      -2.672443      4.405794      7.281023
  Mo     -2.157194      2.701783      6.449440
  N      -2.328418      1.374853      7.883564
  C      -1.212788      1.291515      8.823276
  C      -0.576051      2.660943      8.957702
  N      -0.372367      3.258160      7.603040
  C      -0.341156      4.751427      7.666903
  C      -1.745039      5.313960      7.901000
  C       0.859813      2.744860      6.922941
  C       0.569025      2.734527      5.423544
  N      -0.708655      2.062495      5.233135
  H      -1.799943      6.325100      7.451027
  H      -1.954981      5.448292      8.984249
  H       0.037519      5.099292      6.696334
  H       0.371436      5.072830      8.446280
  H       1.384024      2.241656      4.866378
  H       0.531806      3.776432      5.055363
  H       1.044237      1.726422      7.289052
  H       1.723761      3.379067      7.188173
  H      -1.542362      0.961043      9.825145
  H      -0.463905      0.543379      8.482366
  H      -1.258494      3.328447      9.500048
  H       0.383964      2.621040      9.502415
  C      -4.092462      4.624605      7.364071
  C      -4.730074      3.671723      6.384538
  C      -5.951828      3.868258      5.831428
  C      -6.538056      3.109761      4.745579
  N      -5.719886      2.370081      3.981366
  C      -6.256650      1.773887      2.893306
  N      -7.505234      1.834632      2.460455
  C      -8.373948      2.541347      3.244760
  C      -9.733477      2.625987      2.856213
  C     -10.637028      3.329018      3.627849
  C     -10.217644      3.964916      4.817753
  C      -8.895169      3.902487      5.215614
  C      -7.941184      3.205761      4.435768
  C      -0.718142      0.842129      4.435279
  C      -1.679181     -0.139884      5.035036
  C      -2.662423     -0.858276      4.426944
  C      -3.162898     -0.764117      3.069547
  N      -2.963861      0.370470      2.372318
  C      -3.514407      0.459259      1.145954
  N      -4.260370     -0.432920      0.510016
  C      -4.461045     -1.612366      1.175708
  C      -5.238335     -2.620297      0.554884
  C      -5.433648     -3.837206      1.177899
  C      -4.847563     -4.094186      2.436409
  C      -4.094001     -3.122502      3.069609
  C      -3.901349     -1.852220      2.472133
  C      -3.399950      0.403308      8.096759
  C      -4.584529      1.070348      8.727915
  C      -5.874829      1.077038      8.325092
  C      -6.472851      0.440205      7.150515
  N      -5.684941     -0.175229      6.265009
  C      -6.250234     -0.685672      5.148684
  N      -7.526598     -0.673942      4.813280
  C      -8.368775     -0.067130      5.701428
  C      -9.752353     -0.020423      5.398887
  C     -10.635955      0.570916      6.275452
  C     -10.172464      1.133996      7.487410
  C      -8.829473      1.111512      7.802485
  C      -7.891573      0.515854      6.920796
  H      -4.362616      5.663444      7.081123
  H      -4.480973      4.467395      8.398109
  H      -4.261778      2.682872      6.138856
  H      -6.524865      4.725084      6.199127
  H      -5.557007      1.193294      2.285385
  H     -10.032926      2.113858      1.940477
  H     -11.684425      3.388533      3.325800
  H     -10.944982      4.502976      5.428219
  H      -8.589788      4.381535      6.146776
  H       0.297535      0.391504      4.449799
  H      -0.979369      1.042899      3.386135
  H      -1.481082     -0.374052      6.084504
  H      -3.154828     -1.607133      5.051028
  H      -3.349231      1.409395      0.626758
  H      -5.666009     -2.400300     -0.424466
  H      -6.035237     -4.608466      0.693467
  H      -4.987270     -5.066994      2.910854
  H      -3.633832     -3.350042      4.031054
  H      -3.045946     -0.404942      8.768109
  H      -3.690101     -0.062715      7.151085
  H      -4.349117      1.661380      9.621086
  H      -6.558961      1.675434      8.927470
  H      -5.550964     -1.141032      4.437854
  H     -10.080244     -0.459035      4.455698
  H     -11.699990      0.609012      6.035765
  H     -10.883878      1.595746      8.174198
  H      -8.495719      1.550404      8.742453
89
Coordinates from ORCA-job orca E -6144.662458819047
  N      -2.706972      4.376044      7.276059
  Mo     -2.161727      2.668367      6.482543
  N      -2.299780      1.348760      7.930719
  C      -1.177826      1.284692      8.864736
  C      -0.561808      2.665885      8.983017
  N      -0.387767      3.256258      7.620174
  C      -0.381866      4.751350      7.680710
  C      -1.796185      5.289692      7.914529
  C       0.847557      2.761279      6.931657
  C       0.556486      2.760557      5.430827
  N      -0.720436      2.087500      5.231242
  H      -1.862989      6.304825      7.475954
  H      -2.014264      5.408089      8.997871
  H      -0.011976      5.106358      6.709495
  H       0.324824      5.086498      8.459322
  H       1.374978      2.271067      4.875768
  H       0.517994      3.803465      5.066454
  H       1.039596      1.740113      7.286210
  H       1.707355      3.398975      7.201340
  H      -1.495550      0.957455      9.871448
  H      -0.420766      0.545483      8.523484
  H      -1.252281      3.322787      9.528389
  H       0.404670      2.650070      9.516572
  C      -4.132770      4.566601      7.341601
  C      -4.740307      3.593899      6.359097
  C      -5.960850      3.784425      5.798898
  C      -6.540971      3.029113      4.707752
  N      -5.721346      2.283363      3.950718
  C      -6.249022      1.701665      2.850888
  N      -7.489913      1.781857      2.397677
  C      -8.361731      2.490419      3.176268
  C      -9.715150      2.590287      2.771341
  C     -10.623318      3.290536      3.540381
  C     -10.214429      3.908363      4.742908
  C      -8.897566      3.831670      5.156478
  C      -7.938974      3.137507      4.380458
  C      -0.736450      0.881207      4.413834
  C      -1.703826     -0.101054      5.006114
  C      -2.687062     -0.820492      4.398280
  C      -3.179078     -0.734693      3.036882
  N      -2.962807      0.390085      2.329893
  C      -3.505327      0.473745      1.099665
  N      -4.254503     -0.417881      0.466526
  C      -4.472635     -1.587830      1.142184
  C      -5.255347     -2.593598      0.524473
  C      -5.470542     -3.801068      1.158772
  C      -4.900021     -4.050703      2.425775
  C      -4.141301     -3.081165      3.055734
  C      -3.927102     -1.819739      2.446280
  C      -3.358514      0.364465      8.149076
  C      -4.538060      1.021446      8.800633
  C      -5.830278      1.041369      8.404438
  C      -6.438391      0.430282      7.221519
  N      -5.663367     -0.198869      6.333811
  C      -6.238372     -0.680622      5.209805
  N      -7.513360     -0.632583      4.870288
  C      -8.342664     -0.010729      5.760110
  C      -9.721767      0.082423      5.448747
  C     -10.590891      0.697608      6.323233
  C     -10.117356      1.235997      7.542076
  C      -8.778089      1.167315      7.866080
  C      -7.853674      0.548488      6.985869
  H      -4.424942      5.596548      7.047273
  H      -4.531877      4.408453      8.371094
  H      -4.274183      2.600579      6.128918
  H      -6.537226      4.642899      6.157316
  H      -5.546748      1.118747      2.248472
  H     -10.006536      2.091166      1.845988
  H     -11.666272      3.361394      3.225835
  H     -10.945268      4.443910      5.351327
  H      -8.600416      4.296200      6.097441
  H       0.274427      0.419975      4.421975
  H      -0.995659      1.099212      3.367822
  H      -1.506940     -0.331920      6.056570
  H      -3.185692     -1.562107      5.025749
  H      -3.330756      1.418653      0.575376
  H      -5.671131     -2.379225     -0.461106
  H      -6.076238     -4.570723      0.677021
  H      -5.055794     -5.016495      2.909300
  H      -3.692909     -3.303969      4.023672
  H      -2.993640     -0.450576      8.805537
  H      -3.659052     -0.090462      7.200646
  H      -4.291589      1.602691      9.697152
  H      -6.507094      1.637015      9.017257
  H      -5.551357     -1.147808      4.495048
  H     -10.056802     -0.337427      4.499733
  H     -11.651066      0.774044      6.076186
  H     -10.817977      1.715894      8.227475
  H      -8.437598      1.589156      8.811112
89
Coordinates from ORCA-job orca E -6144.665468863845
  N      -2.721615      4.362641      7.267337
  Mo     -2.163960      2.650017      6.508828
  N      -2.281871      1.334576      7.966605
  C      -1.157017      1.279794      8.898316
  C      -0.549132      2.666605      9.005989
  N      -0.395699      3.252883      7.637755
  C      -0.403189      4.748923      7.698407
  C      -1.823283      5.272227      7.930838
  C       0.838203      2.767062      6.941101
  C       0.549393      2.781362      5.438824
  N      -0.732525      2.120609      5.228839
  H      -1.895076      6.293733      7.508804
  H      -2.051427      5.369544      9.014044
  H      -0.037715      5.110178      6.727909
  H       0.298224      5.090377      8.478837
  H       1.366452      2.285726      4.886876
  H       0.520883      3.825848      5.078861
  H       1.027438      1.740318      7.281185
  H       1.700087      3.398928      7.217673
  H      -1.469893      0.956113      9.907608
  H      -0.396955      0.543959      8.557612
  H      -1.242450      3.317560      9.555368
  H       0.422208      2.664313      9.530125
  C      -4.151429      4.537724      7.316215
  C      -4.736550      3.553847      6.327922
  C      -5.952492      3.746926      5.759107
  C      -6.529536      2.988737      4.668453
  N      -5.711166      2.231819      3.922095
  C      -6.235620      1.648154      2.822161
  N      -7.473791      1.733826      2.360208
  C      -8.345355      2.449778      3.131922
  C      -9.697946      2.550448      2.723709
  C     -10.606910      3.254147      3.488620
  C     -10.200084      3.875520      4.689931
  C      -8.884381      3.798598      5.106533
  C      -7.925076      3.101001      4.334556
  C      -0.763358      0.925332      4.396980
  C      -1.738899     -0.054722      4.982527
  C      -2.717934     -0.778319      4.372162
  C      -3.194915     -0.706867      3.004174
  N      -2.959770      0.405361      2.284433
  C      -3.489319      0.478116      1.047855
  N      -4.236930     -0.416931      0.417111
  C      -4.472376     -1.575453      1.105796
  C      -5.254970     -2.583441      0.490974
  C      -5.490655     -3.779237      1.139436
  C      -4.941563     -4.014986      2.418521
  C      -4.183231     -3.043352      3.045444
  C      -3.947424     -1.792828      2.420911
  C      -3.333284      0.340488      8.185373
  C      -4.511613      0.984409      8.852733
  C      -5.805619      1.012398      8.459849
  C      -6.422728      0.419855      7.271641
  N      -5.659677     -0.221690      6.381630
  C      -6.243925     -0.686654      5.255627
  N      -7.519101     -0.617921      4.917383
  C      -8.336730      0.016185      5.809117
  C      -9.714335      0.133076      5.498628
  C     -10.571554      0.765031      6.372624
  C     -10.087563      1.296062      7.590331
  C      -8.749501      1.202818      7.914400
  C      -7.836143      0.566194      7.034913
  H      -4.453712      5.562084      7.014472
  H      -4.560283      4.378744      8.341141
  H      -4.276007      2.554541      6.114017
  H      -6.528128      4.610186      6.106649
  H      -5.533310      1.059277      2.225779
  H      -9.987945      2.048513      1.799387
  H     -11.649046      3.325007      3.171108
  H     -10.931532      4.413159      5.295860
  H      -8.588917      4.263837      6.047553
  H       0.241464      0.450567      4.399539
  H      -1.020749      1.158815      3.353902
  H      -1.546356     -0.281341      6.035087
  H      -3.223071     -1.512923      5.002225
  H      -3.307234      1.417170      0.516888
  H      -5.654282     -2.379380     -0.503599
  H      -6.096150     -4.550646      0.660116
  H      -5.113610     -4.972070      2.913767
  H      -3.751077     -3.257278      4.022612
  H      -2.958601     -0.480590      8.828504
  H      -3.640921     -0.103637      7.233853
  H      -4.259715      1.555071      9.754628
  H      -6.478494      1.601328      9.083373
  H      -5.567242     -1.161310      4.536038
  H     -10.056923     -0.280769      4.549738
  H     -11.629987      0.861790      6.125162
  H     -10.779001      1.789060      8.275883
  H      -8.403000      1.618549      8.859842
89
Coordinates from ORCA-job orca E -6144.668126953099
  N      -2.726757      4.356340      7.259958
  Mo     -2.167095      2.638880      6.531448
  N      -2.270711      1.323311      7.993318
  C      -1.143472      1.271332      8.922352
  C      -0.537688      2.660615      9.023968
  N      -0.400636      3.248380      7.653756
  C      -0.416224      4.744763      7.718466
  C      -1.839370      5.256891      7.951169
  C       0.829151      2.769932      6.946803
  C       0.541679      2.805356      5.444161
  N      -0.747156      2.162154      5.225085
  H      -1.914004      6.286380      7.550026
  H      -2.077316      5.328696      9.034066
  H      -0.053629      5.112372      6.749395
  H       0.281285      5.088011      8.501462
  H       1.353812      2.301499      4.892366
  H       0.526874      3.852467      5.091658
  H       1.012192      1.736132      7.268892
  H       1.695538      3.391783      7.232189
  H      -1.453898      0.949726      9.932943
  H      -0.383439      0.536245      8.580924
  H      -1.230087      3.307522      9.579537
  H       0.438344      2.664735      9.538771
  C      -4.158451      4.521510      7.295987
  C      -4.727316      3.531784      6.301746
  C      -5.937871      3.730205      5.724282
  C      -6.515092      2.962522      4.640547
  N      -5.700546      2.186046      3.911194
  C      -6.224535      1.590924      2.817742
  N      -7.460427      1.679392      2.349616
  C      -8.328975      2.413678      3.107318
  C      -9.680456      2.516750      2.694940
  C     -10.586186      3.238380      3.446431
  C     -10.177958      3.877085      4.638230
  C      -8.863849      3.798595      5.058536
  C      -7.907859      3.082088      4.299761
  C      -0.794727      0.978173      4.378471
  C      -1.773638     -0.002271      4.958967
  C      -2.746223     -0.733518      4.346715
  C      -3.212508     -0.677520      2.974960
  N      -2.964830      0.423111      2.241821
  C      -3.487083      0.483226      1.001817
  N      -4.231987     -0.417510      0.376066
  C      -4.477139     -1.566196      1.077632
  C      -5.257449     -2.579359      0.468144
  C      -5.506352     -3.764508      1.130399
  C      -4.972962     -3.984285      2.418827
  C      -4.216809     -3.007632      3.040205
  C      -3.967094     -1.767305      2.400992
  C      -3.317981      0.322593      8.210933
  C      -4.494887      0.954022      8.891879
  C      -5.789774      0.988215      8.500012
  C      -6.412359      0.406975      7.309336
  N      -5.657901     -0.251336      6.423351
  C      -6.247614     -0.713561      5.299630
  N      -7.522466     -0.634778      4.961798
  C      -8.331798      0.015927      5.848817
  C      -9.708918      0.141805      5.539481
  C     -10.558514      0.793058      6.406357
  C     -10.067078      1.334979      7.615999
  C      -8.729613      1.230836      7.940128
  C      -7.823633      0.572995      7.068684
  H      -4.464585      5.542747      6.989977
  H      -4.574437      4.361091      8.317378
  H      -4.273376      2.525916      6.102980
  H      -6.509301      4.601004      6.059018
  H      -5.524562      0.989681      2.231388
  H      -9.971991      2.002100      1.778079
  H     -11.627136      3.310409      3.125216
  H     -10.907155      4.428494      5.234410
  H      -8.567369      4.275767      5.993181
  H       0.205053      0.492359      4.371830
  H      -1.054044      1.227094      3.339416
  H      -1.582821     -0.226911      6.012640
  H      -3.251480     -1.465268      4.979576
  H      -3.302082      1.416821      0.463055
  H      -5.644750     -2.386828     -0.533465
  H      -6.110155     -4.539924      0.655421
  H      -5.155436     -4.933251      2.925813
  H      -3.796484     -3.211439      4.024559
  H      -2.934298     -0.504316      8.841268
  H      -3.632638     -0.110850      7.256678
  H      -4.240538      1.514592      9.799396
  H      -6.460625      1.570534      9.131987
  H      -5.578155     -1.200024      4.581169
  H     -10.056692     -0.279758      4.595897
  H     -11.616086      0.898123      6.158482
  H     -10.752056      1.843737      8.296504
  H      -8.379536      1.653982      8.880955
89
Coordinates from ORCA-job orca E -6144.670447206901
  N      -2.742947      4.340615      7.257173
  Mo     -2.178140      2.623811      6.548674
  N      -2.261160      1.301560      8.007788
  C      -1.128891      1.252463      8.930836
  C      -0.530376      2.645548      9.032913
  N      -0.412386      3.243658      7.665007
  C      -0.442858      4.739808      7.740514
  C      -1.870560      5.232645      7.978385
  C       0.814011      2.781447      6.943686
  C       0.524691      2.841716      5.442676
  N      -0.768167      2.209746      5.216993
  H      -1.954758      6.271428      7.604435
  H      -2.116414      5.271173      9.061062
  H      -0.085807      5.118496      6.773793
  H       0.250879      5.084538      8.526108
  H       1.332135      2.335428      4.886414
  H       0.517890      3.892438      5.101136
  H       0.996807      1.740935      7.244073
  H       1.682073      3.396448      7.239353
  H      -1.433961      0.927289      9.941852
  H      -0.367038      0.521809      8.584493
  H      -1.222227      3.283962      9.599031
  H       0.451058      2.655659      9.537059
  C      -4.176849      4.488176      7.286213
  C      -4.728770      3.496066      6.282816
  C      -5.935707      3.696797      5.697777
  C      -6.513715      2.925788      4.616299
  N      -5.703835      2.136227      3.896662
  C      -6.228158      1.541872      2.803057
  N      -7.460745      1.640029      2.328877
  C      -8.325537      2.387370      3.077726
  C      -9.674630      2.500712      2.659268
  C     -10.576368      3.235319      3.402315
  C     -10.167241      3.878035      4.591857
  C      -8.855882      3.789738      5.018030
  C      -7.903659      3.058940      4.267834
  C      -0.824731      1.035434      4.357181
  C      -1.795965      0.048472      4.938492
  C      -2.756785     -0.698454      4.326197
  C      -3.214827     -0.659694      2.952676
  N      -2.959676      0.430473      2.205626
  C      -3.476350      0.475690      0.963059
  N      -4.216355     -0.433312      0.343654
  C      -4.465059     -1.573716      1.058039
  C      -5.239063     -2.595468      0.454836
  C      -5.493392     -3.772020      1.129891
  C      -4.970885     -3.974461      2.425530
  C      -4.220583     -2.989298      3.040434
  C      -3.966033     -1.757226      2.387970
  C      -3.300281      0.290743      8.222926
  C      -4.471500      0.907349      8.925076
  C      -5.768305      0.954653      8.539635
  C      -6.402160      0.396818      7.344759
  N      -5.663216     -0.275394      6.455362
  C      -6.264076     -0.721806      5.331553
  N      -7.538145     -0.619542      4.997921
  C      -8.331645      0.046603      5.887555
  C      -9.706911      0.198954      5.581721
  C     -10.540886      0.871580      6.447237
  C     -10.034688      1.410013      7.652198
  C      -8.698887      1.278615      7.973575
  C      -7.809214      0.596444      7.104458
  H      -4.491158      5.507152      6.982207
  H      -4.595589      4.319057      8.304890
  H      -4.275475      2.486872      6.093929
  H      -6.503798      4.571924      6.025974
  H      -5.531784      0.932863      2.221225
  H      -9.967501      1.983339      1.744314
  H     -11.615217      3.314789      3.076047
  H     -10.893855      4.439409      5.181838
  H      -8.559050      4.268940      5.951495
  H       0.174809      0.548843      4.337024
  H      -1.093182      1.295104      3.323107
  H      -1.603096     -0.172800      5.992922
  H      -3.254994     -1.431413      4.962885
  H      -3.289327      1.403161      0.414238
  H      -5.617575     -2.415619     -0.552504
  H      -6.092463     -4.554104      0.659880
  H      -5.156993     -4.916819      2.943413
  H      -3.807646     -3.182212      4.030081
  H      -2.903884     -0.544043      8.834851
  H      -3.624943     -0.128458      7.265634
  H      -4.211330      1.451193      9.841051
  H      -6.432209      1.528772      9.186464
  H      -5.606421     -1.217611      4.608357
  H     -10.065374     -0.218950      4.640430
  H     -11.596564      0.997792      6.200992
  H     -10.706251      1.937583      8.331698
  H      -8.338465      1.700600      8.911080
89
Coordinates from ORCA-job orca E -6144.672422083645
  N      -2.744498      4.340057      7.253622
  Mo     -2.185585      2.620188      6.561590
  N      -2.257019      1.291529      8.017340
  C      -1.121517      1.241140      8.936364
  C      -0.522026      2.634110      9.039446
  N      -0.416800      3.241925      7.674980
  C      -0.453285      4.737435      7.763179
  C      -1.883186      5.217631      8.005883
  C       0.805041      2.790052      6.941714
  C       0.514789      2.876326      5.442444
  N      -0.785062      2.260456      5.209605
  H      -1.972272      6.265877      7.661224
  H      -2.136947      5.221874      9.087259
  H      -0.099198      5.126392      6.799627
  H       0.238108      5.078962      8.552074
  H       1.315554      2.365088      4.881464
  H       0.520049      3.930516      5.112024
  H       0.982938      1.742514      7.220258
  H       1.677155      3.393961      7.248559
  H      -1.424080      0.914904      9.947791
  H      -0.361217      0.510503      8.586912
  H      -1.209769      3.268253      9.615339
  H       0.463726      2.642964      9.535055
  C      -4.179464      4.477290      7.277597
  C      -4.719608      3.486067      6.265452
  C      -5.922502      3.694556      5.673622
  C      -6.510989      2.922373      4.599214
  N      -5.715188      2.110643      3.888739
  C      -6.251957      1.509912      2.804572
  N      -7.485004      1.617968      2.334857
  C      -8.336511      2.388122      3.075606
  C      -9.685721      2.513554      2.661102
  C     -10.573441      3.273575      3.395395
  C     -10.149711      3.930855      4.571819
  C      -8.838039      3.830490      4.994058
  C      -7.899867      3.073118      4.252541
  C      -0.853111      1.092967      4.339454
  C      -1.816466      0.100617      4.925498
  C      -2.766621     -0.664880      4.316405
  C      -3.219798     -0.646484      2.942536
  N      -2.960268      0.433143      2.180547
  C      -3.478445      0.465543      0.938791
  N      -4.220178     -0.448797      0.330145
  C      -4.470145     -1.581118      1.057162
  C      -5.244534     -2.608076      0.463714
  C      -5.503392     -3.776208      1.151332
  C      -4.984675     -3.964338      2.450440
  C      -4.233606     -2.973748      3.055884
  C      -3.973751     -1.749867      2.390365
  C      -3.289726      0.272956      8.229463
  C      -4.460376      0.877563      8.940990
  C      -5.756403      0.926565      8.552414
  C      -6.387643      0.367748      7.357439
  N      -5.652506     -0.332518      6.485796
  C      -6.252400     -0.793139      5.367512
  N      -7.524310     -0.687550      5.027727
  C      -8.313901      0.008115      5.898003
  C      -9.687027      0.163654      5.584567
  C     -10.517031      0.868798      6.427698
  C     -10.008156      1.438163      7.617179
  C      -8.674872      1.301374      7.946962
  C      -7.789873      0.583746      7.102273
  H      -4.497650      5.495873      6.976190
  H      -4.601699      4.300697      8.293490
  H      -4.270597      2.472400      6.086834
  H      -6.481570      4.577224      5.996391
  H      -5.566164      0.886207      2.225669
  H      -9.990076      1.985706      1.756039
  H     -11.612340      3.362546      3.072071
  H     -10.865639      4.512207      5.155292
  H      -8.530508      4.319970      5.918594
  H       0.145331      0.604752      4.303306
  H      -1.132661      1.361559      3.310875
  H      -1.618837     -0.116508      5.980154
  H      -3.256447     -1.397760      4.959569
  H      -3.290862      1.386759      0.379723
  H      -5.620080     -2.438451     -0.546418
  H      -6.102887     -4.562391      0.688998
  H      -5.174218     -4.899959      2.979037
  H      -3.823665     -3.158327      4.048039
  H      -2.884701     -0.566429      8.829106
  H      -3.619586     -0.136538      7.270082
  H      -4.202534      1.413527      9.862158
  H      -6.422343      1.495329      9.201815
  H      -5.598134     -1.311427      4.657526
  H     -10.046563     -0.277163      4.654273
  H     -11.570557      0.998175      6.174540
  H     -10.675362      1.993150      8.278745
  H      -8.313534      1.747960      8.872545
89
Coordinates from ORCA-job orca E -6144.674110986175
  N      -2.765504      4.322240      7.258442
  Mo     -2.201811      2.604514      6.574987
  N      -2.250255      1.264852      8.021710
  C      -1.106983      1.217063      8.931538
  C      -0.516863      2.613380      9.040811
  N      -0.430937      3.238732      7.682887
  C      -0.485524      4.733240      7.788162
  C      -1.920206      5.189173      8.040832
  C       0.788150      2.809114      6.932768
  C       0.490511      2.923158      5.437778
  N      -0.811249      2.312103      5.201127
  H      -2.023669      6.246234      7.729213
  H      -2.177876      5.154193      9.120636
  H      -0.139670      5.136741      6.827673
  H       0.204130      5.074604      8.578577
  H       1.286087      2.417320      4.864878
  H       0.496883      3.981986      5.122696
  H       0.971628      1.756393      7.187872
  H       1.659494      3.409101      7.250092
  H      -1.401328      0.883314      9.943100
  H      -0.344723      0.492508      8.573915
  H      -1.202212      3.236812      9.631124
  H       0.474479      2.624705      9.525317
  C      -4.203139      4.435332      7.283758
  C      -4.726332      3.444083      6.261392
  C      -5.925153      3.649288      5.659623
  C      -6.508658      2.873696      4.585480
  N      -5.712850      2.048843      3.890877
  C      -6.243367      1.445485      2.804410
  N      -7.470602      1.560167      2.321855
  C      -8.322938      2.345266      3.046098
  C      -9.666869      2.477819      2.616554
  C     -10.555739      3.252020      3.334365
  C     -10.138565      3.917054      4.508983
  C      -8.832251      3.809257      4.945952
  C      -7.892833      3.036343      4.222011
  C      -0.883546      1.153120      4.317984
  C      -1.833547      0.149208      4.905781
  C      -2.770818     -0.633704      4.295823
  C      -3.221684     -0.627183      2.922796
  N      -2.959234      0.444375      2.149181
  C      -3.475356      0.464233      0.906445
  N      -4.215705     -0.456438      0.305074
  C      -4.464742     -1.582565      1.042690
  C      -5.234549     -2.617280      0.456910
  C      -5.492149     -3.779994      1.154494
  C      -4.975541     -3.954608      2.456391
  C      -4.228637     -2.955915      3.054206
  C      -3.971463     -1.737580      2.378565
  C      -3.272316      0.233998      8.230958
  C      -4.434104      0.823233      8.968474
  C      -5.733257      0.890514      8.591089
  C      -6.379068      0.361126      7.391231
  N      -5.665216     -0.355007      6.514670
  C      -6.280860     -0.796413      5.397064
  N      -7.551802     -0.660823      5.064401
  C      -8.319133      0.054330      5.938651
  C      -9.689045      0.246405      5.630676
  C     -10.495156      0.980472      6.472353
  C      -9.964025      1.545297      7.654439
  C      -8.633865      1.371600      7.979646
  C      -7.774354      0.620389      7.137928
  H      -4.534935      5.451477      6.989756
  H      -4.623171      4.243904      8.297713
  H      -4.273661      2.429942      6.088879
  H      -6.483465      4.534239      5.977187
  H      -5.557978      0.809868      2.237691
  H      -9.966557      1.944059      1.713292
  H     -11.590548      3.346678      2.999440
  H     -10.855817      4.509802      5.079371
  H      -8.530987      4.304026      5.869681
  H       0.117497      0.672118      4.260304
  H      -1.180027      1.432704      3.297275
  H      -1.629806     -0.071051      5.958941
  H      -3.247334     -1.373796      4.940920
  H      -3.283396      1.378334      0.336310
  H      -5.607766     -2.457841     -0.555849
  H      -6.088283     -4.572188      0.697952
  H      -5.163438     -4.885660      2.993697
  H      -3.819942     -3.131317      4.049008
  H      -2.852875     -0.613534      8.808703
  H      -3.613705     -0.161042      7.269072
  H      -4.167639      1.337969      9.899263
  H      -6.388955      1.449139      9.259591
  H      -5.641359     -1.324394      4.681155
  H     -10.064833     -0.189034      4.704118
  H     -11.545675      1.138303      6.222619
  H     -10.610931      2.126544      8.313735
  H      -8.254695      1.818337      8.898033
89
Coordinates from ORCA-job orca E -6144.675552285427
  N      -2.781496      4.318635      7.264173
  Mo     -2.216174      2.597796      6.582668
  N      -2.248196      1.248995      8.023762
  C      -1.096776      1.199320      8.927045
  C      -0.507382      2.595836      9.042622
  N      -0.437139      3.238201      7.690083
  C      -0.504592      4.732651      7.814440
  C      -1.944248      5.170590      8.075711
  C       0.781039      2.827111      6.925272
  C       0.474344      2.962826      5.433088
  N      -0.830496      2.353887      5.191511
  H      -2.056132      6.235622      7.796264
  H      -2.204984      5.100232      9.153055
  H      -0.165457      5.150569      6.857737
  H       0.184706      5.070571      8.606567
  H       1.265848      2.464171      4.848428
  H       0.479806      4.025630      5.131717
  H       0.971092      1.771118      7.161938
  H       1.651326      3.425055      7.249724
  H      -1.384794      0.860021      9.938755
  H      -0.336070      0.476693      8.562090
  H      -1.186712      3.212081      9.647308
  H       0.489095      2.603621      9.516770
  C      -4.223733      4.421225      7.293997
  C      -4.741945      3.433041      6.263867
  C      -5.936826      3.640141      5.654259
  C      -6.520896      2.861953      4.582914
  N      -5.730479      2.017779      3.905788
  C      -6.260723      1.406497      2.822801
  N      -7.483271      1.529231      2.329813
  C      -8.330672      2.336080      3.036103
  C      -9.670052      2.477458      2.595267
  C     -10.554756      3.273141      3.294938
  C     -10.137397      3.951614      4.461961
  C      -8.835349      3.834650      4.910017
  C      -7.900297      3.038791      4.205422
  C      -0.900028      1.200864      4.294614
  C      -1.828709      0.176904      4.882745
  C      -2.753168     -0.623622      4.273660
  C      -3.207166     -0.625945      2.902547
  N      -2.941136      0.436457      2.117166
  C      -3.463067      0.447444      0.876457
  N      -4.212204     -0.474667      0.286862
  C      -4.463077     -1.592755      1.036386
  C      -5.240621     -2.629655      0.464601
  C      -5.501631     -3.783951      1.175476
  C      -4.981207     -3.947519      2.477571
  C      -4.226505     -2.946221      3.061814
  C      -3.964842     -1.737176      2.371611
  C      -3.260393      0.206187      8.232067
  C      -4.417865      0.782125      8.986348
  C      -5.718253      0.856676      8.614686
  C      -6.366784      0.338552      7.411571
  N      -5.662661     -0.396919      6.543597
  C      -6.283089     -0.836931      5.427603
  N      -7.552508     -0.687686      5.093415
  C      -8.309053      0.049817      5.958573
  C      -9.675547      0.260987      5.646860
  C     -10.468170      1.025066      6.474747
  C      -9.925987      1.603955      7.645396
  C      -8.599500      1.410733      7.974956
  C      -7.755060      0.625036      7.149238
  H      -4.563335      5.437200      7.008392
  H      -4.640431      4.218440      8.307027
  H      -4.291830      2.412950      6.095023
  H      -6.490695      4.529696      5.967005
  H      -5.579265      0.754748      2.269799
  H      -9.969924      1.933414      1.698153
  H     -11.586114      3.375102      2.951450
  H     -10.851400      4.561958      5.017802
  H      -8.535245      4.339699      5.828519
  H       0.106367      0.735072      4.211667
  H      -1.218100      1.490433      3.283246
  H      -1.614729     -0.048553      5.933107
  H      -3.215381     -1.371031      4.920698
  H      -3.265495      1.353292      0.295070
  H      -5.617298     -2.478829     -0.548274
  H      -6.103913     -4.577622      0.729549
  H      -5.172676     -4.871309      3.026150
  H      -3.816093     -3.112092      4.058107
  H      -2.828720     -0.644301      8.795983
  H      -3.608332     -0.182301      7.268965
  H      -4.147891      1.283926      9.923220
  H      -6.371605      1.406024      9.293211
  H      -5.649800     -1.379917      4.717498
  H     -10.058993     -0.183229      4.727547
  H     -11.515623      1.197618      6.221759
  H     -10.561256      2.211928      8.291912
  H      -8.210408      1.871590      8.882242
89
Coordinates from ORCA-job orca E -6144.676842347428
  N      -2.789552      4.320999      7.268875
  Mo     -2.223212      2.596872      6.592382
  N      -2.240929      1.240572      8.027969
  C      -1.084744      1.189935      8.925198
  C      -0.496811      2.586901      9.044062
  N      -0.441356      3.241123      7.696754
  C      -0.518791      4.734092      7.837509
  C      -1.961278      5.156074      8.107623
  C       0.774296      2.844417      6.920487
  C       0.461745      2.999636      5.431730
  N      -0.845974      2.396928      5.185234
  H      -2.080314      6.227776      7.859228
  H      -2.224049      5.051606      9.181474
  H      -0.187042      5.164978      6.884180
  H       0.170521      5.068747      8.630652
  H       1.249249      2.506455      4.837598
  H       0.467626      4.065747      5.142743
  H       0.967529      1.785365      7.140408
  H       1.644546      3.438628      7.251286
  H      -1.367171      0.846603      9.937100
  H      -0.325673      0.469312      8.554015
  H      -1.170233      3.197161      9.661035
  H       0.504143      2.591807      9.508320
  C      -4.233368      4.409720      7.302570
  C      -4.741689      3.422387      6.265579
  C      -5.930802      3.629559      5.644732
  C      -6.511262      2.842067      4.579886
  N      -5.723543      1.972280      3.931597
  C      -6.249562      1.339770      2.859435
  N      -7.464951      1.463243      2.351236
  C      -8.310286      2.298049      3.027276
  C      -9.642795      2.441874      2.568504
  C     -10.525724      3.266015      3.237006
  C     -10.112364      3.971503      4.388729
  C      -8.816575      3.852099      4.853838
  C      -7.883727      3.026807      4.181926
  C      -0.920305      1.252596      4.276352
  C      -1.836493      0.219259      4.867940
  C      -2.756432     -0.591920      4.264265
  C      -3.216093     -0.601786      2.896239
  N      -2.937504      0.449343      2.099847
  C      -3.466815      0.459005      0.863067
  N      -4.234916     -0.454504      0.285886
  C      -4.497569     -1.563444      1.044343
  C      -5.294108     -2.591931      0.484408
  C      -5.568004     -3.737162      1.204503
  C      -5.042376     -3.899765      2.504196
  C      -4.269245     -2.906248      3.077125
  C      -3.993129     -1.706000      2.377413
  C      -3.243045      0.187028      8.233590
  C      -4.400113      0.746990      8.999793
  C      -5.701551      0.820758      8.631176
  C      -6.349589      0.302075      7.428330
  N      -5.654686     -0.463572      6.578742
  C      -6.278866     -0.916038      5.470090
  N      -7.545891     -0.759821      5.132676
  C      -8.292497      0.010916      5.977160
  C      -9.655620      0.232719      5.659135
  C     -10.435415      1.035127      6.462258
  C      -9.882867      1.644051      7.612421
  C      -8.560312      1.438586      7.949522
  C      -7.730231      0.610382      7.151572
  H      -4.583120      5.423657      7.023043
  H      -4.647848      4.195779      8.314056
  H      -4.296801      2.399190      6.104365
  H      -6.482553      4.524171      5.946479
  H      -5.570445      0.665715      2.331365
  H      -9.939265      1.877278      1.683312
  H     -11.552063      3.370369      2.880148
  H     -10.824625      4.605414      4.919504
  H      -8.520621      4.378857      5.761249
  H       0.086053      0.793015      4.169694
  H      -1.256924      1.553033      3.274053
  H      -1.613173     -0.008687      5.916163
  H      -3.210272     -1.339821      4.916054
  H      -3.257814      1.356109      0.273009
  H      -5.674744     -2.442331     -0.526925
  H      -6.184774     -4.524392      0.767580
  H      -5.244627     -4.816472      3.060392
  H      -3.856096     -3.071383      4.071857
  H      -2.801021     -0.665796      8.785347
  H      -3.594409     -0.194949      7.269550
  H      -4.129728      1.239652      9.941100
  H      -6.356735      1.360443      9.315508
  H      -5.652284     -1.482498      4.772905
  H     -10.046036     -0.233031      4.753763
  H     -11.479780      1.216547      6.203829
  H     -10.507128      2.285182      8.236934
  H      -8.161574      1.925696      8.838712
89
Coordinates from ORCA-job orca E -6144.678027500177
  N      -2.810942      4.322025      7.287038
  Mo     -2.241324      2.599581      6.598475
  N      -2.239788      1.226171      8.018661
  C      -1.075367      1.168369      8.904390
  C      -0.490108      2.565182      9.035228
  N      -0.454542      3.240999      7.698137
  C      -0.543674      4.730887      7.864888
  C      -1.987253      5.134517      8.152112
  C       0.756580      2.867165      6.904045
  C       0.431947      3.046770      5.421258
  N      -0.875172      2.443887      5.171958
  H      -2.113856      6.213163      7.940709
  H      -2.246315      4.991377      9.222250
  H      -0.223737      5.180661      6.916267
  H       0.148907      5.058028      8.658088
  H       1.216333      2.567305      4.812260
  H       0.430784      4.117729      5.150403
  H       0.958744      1.805667      7.103485
  H       1.625222      3.460983      7.239422
  H      -1.348032      0.812330      9.914553
  H      -0.318785      0.453588      8.517829
  H      -1.155428      3.164383      9.671349
  H       0.517071      2.564738      9.485541
  C      -4.255481      4.399539      7.332337
  C      -4.760943      3.421968      6.285249
  C      -5.945843      3.633551      5.657777
  C      -6.526038      2.842008      4.596701
  N      -5.747070      1.943492      3.976804
  C      -6.272564      1.296499      2.913623
  N      -7.479227      1.429861      2.388641
  C      -8.316047      2.296925      3.034255
  C      -9.639558      2.454915      2.555378
  C     -10.514481      3.311745      3.192724
  C     -10.101210      4.036952      4.331830
  C      -8.813821      3.903745      4.816200
  C      -7.889187      3.044608      4.176625
  C      -0.945854      1.310347      4.248051
  C      -1.828779      0.251225      4.844453
  C      -2.735743     -0.581999      4.250182
  C      -3.211046     -0.603032      2.887758
  N      -2.948751      0.445404      2.082264
  C      -3.493458      0.445819      0.852590
  N      -4.262047     -0.475176      0.289122
  C      -4.507318     -1.582739      1.054944
  C      -5.303165     -2.619167      0.509136
  C      -5.559663     -3.763120      1.237105
  C      -5.017183     -3.916703      2.530714
  C      -4.244747     -2.915309      3.090170
  C      -3.985843     -1.715769      2.382461
  C      -3.229354      0.158902      8.217117
  C      -4.382805      0.694351      9.005133
  C      -5.686443      0.771020      8.645409
  C      -6.336669      0.262467      7.439655
  N      -5.656678     -0.534393      6.606601
  C      -6.286356     -0.987377      5.501299
  N      -7.547750     -0.807516      5.156589
  C      -8.278237     -0.001827      5.982421
  C      -9.633847      0.248586      5.654079
  C     -10.393858      1.090664      6.435074
  C      -9.828358      1.712652      7.571822
  C      -8.513746      1.477883      7.920323
  C      -7.705376      0.606219      7.146965
  H      -4.615658      5.413733      7.068357
  H      -4.661752      4.167818      8.343007
  H      -4.324602      2.394998      6.122431
  H      -6.494125      4.532007      5.954396
  H      -5.601718      0.594837      2.412276
  H      -9.935951      1.874926      1.680231
  H     -11.534164      3.427324      2.820683
  H     -10.806863      4.698198      4.837472
  H      -8.518945      4.447746      5.713737
  H       0.066263      0.873183      4.111330
  H      -1.311032      1.618385      3.258141
  H      -1.586876      0.022584      5.888804
  H      -3.164226     -1.339842      4.907290
  H      -3.292857      1.338595      0.253338
  H      -5.697492     -2.476887     -0.497947
  H      -6.175937     -4.556497      0.810813
  H      -5.206251     -4.832351      3.093196
  H      -3.819106     -3.072175      4.080682
  H      -2.772678     -0.698625      8.748951
  H      -3.586800     -0.211157      7.250682
  H      -4.107236      1.171140      9.953017
  H      -6.340660      1.298717      9.340004
  H      -5.670234     -1.579131      4.816005
  H     -10.033577     -0.226455      4.757661
  H     -11.431867      1.294748      6.168204
  H     -10.436328      2.387833      8.176154
  H      -8.102251      1.978125      8.796426
89
Coordinates from ORCA-job orca E -6144.679228865774
  N      -2.841757      4.323285      7.316035
  Mo     -2.268657      2.607532      6.604249
  N      -2.239984      1.211808      8.002017
  C      -1.064558      1.145391      8.870668
  C      -0.484338      2.542381      9.016932
  N      -0.475646      3.243030      7.693122
  C      -0.576221      4.727775      7.890966
  C      -2.018606      5.109960      8.203794
  C       0.727001      2.896196      6.876093
  C       0.384274      3.102348      5.402031
  N      -0.920699      2.496165      5.154196
  H      -2.154218      6.194799      8.033421
  H      -2.267532      4.925061      9.269940
  H      -0.273675      5.199965      6.947491
  H       0.123205      5.045415      8.681983
  H       1.165169      2.640424      4.775364
  H       0.372069      4.178487      5.151880
  H       0.940488      1.832556      7.051523
  H       1.594783      3.490596      7.212854
  H      -1.322244      0.771064      9.878120
  H      -0.310284      0.440671      8.461673
  H      -1.139919      3.126157      9.676910
  H       0.530810      2.537554      9.448818
  C      -4.285028      4.386806      7.379431
  C      -4.789044      3.423801      6.320529
  C      -5.972201      3.643422      5.691295
  C      -6.559477      2.855229      4.631950
  N      -5.800007      1.923873      4.035995
  C      -6.332617      1.274611      2.978365
  N      -7.527482      1.435187      2.434781
  C      -8.344567      2.340086      3.052808
  C      -9.655354      2.531440      2.551973
  C     -10.511375      3.426754      3.161509
  C     -10.090754      4.158698      4.293395
  C      -8.815226      3.992980      4.798963
  C      -7.909586      3.093043      4.188758
  C      -0.988702      1.373538      4.217427
  C      -1.825327      0.284498      4.825613
  C      -2.713752     -0.579318      4.247754
  C      -3.208224     -0.618846      2.892248
  N      -2.979437      0.430266      2.077585
  C      -3.543535      0.414628      0.856890
  N      -4.302859     -0.523660      0.310674
  C      -4.512838     -1.632959      1.084218
  C      -5.295942     -2.687691      0.555212
  C      -5.515893     -3.833917      1.291078
  C      -4.948620     -3.971824      2.575796
  C      -4.188611     -2.952622      3.119228
  C      -3.966866     -1.750180      2.403625
  C      -3.212145      0.126771      8.188571
  C      -4.362485      0.627627      9.002306
  C      -5.668148      0.701795      8.651177
  C      -6.314483      0.201850      7.440301
  N      -5.648585     -0.632441      6.632173
  C      -6.278005     -1.085574      5.526783
  N      -7.529224     -0.875110      5.163798
  C      -8.243853     -0.028681      5.962674
  C      -9.585966      0.259726      5.611062
  C     -10.324576      1.148192      6.360798
  C      -9.750531      1.780515      7.487429
  C      -8.449625      1.508184      7.859330
  C      -7.665295      0.586824      7.120032
  H      -4.659494      5.401350      7.137293
  H      -4.678008      4.132153      8.389799
  H      -4.362548      2.394682      6.151424
  H      -6.513959      4.545735      5.987480
  H      -5.678910      0.542313      2.499699
  H      -9.957580      1.945784      1.682608
  H     -11.521471      3.568298      2.772631
  H     -10.781002      4.852595      4.776170
  H      -8.515806      4.545580      5.689687
  H       0.029932      0.965351      4.046302
  H      -1.389555      1.682496      3.241741
  H      -1.558170      0.063543      5.865652
  H      -3.108074     -1.348549      4.913027
  H      -3.366716      1.306792      0.248677
  H      -5.710183     -2.557637     -0.445508
  H      -6.122456     -4.641510      0.877643
  H      -5.109042     -4.889327      3.144169
  H      -3.743283     -3.095989      4.103065
  H      -2.736472     -0.736298      8.693838
  H      -3.576425     -0.226725      7.218202
  H      -4.082054      1.087335      9.957162
  H      -6.325239      1.214955      9.354313
  H      -5.671783     -1.707585      4.859491
  H      -9.991439     -0.223051      4.721343
  H     -11.351396      1.382027      6.075604
  H     -10.340677      2.494711      8.063978
  H      -8.027602      2.019330      8.724170
89
Coordinates from ORCA-job orca E -6144.680441296183
  N      -2.874658      4.328049      7.354936
  Mo     -2.298772      2.619909      6.614759
  N      -2.240000      1.200642      7.986193
  C      -1.052800      1.124892      8.835061
  C      -0.477314      2.521529      8.997412
  N      -0.498592      3.246827      7.688157
  C      -0.608017      4.725124      7.917702
  C      -2.046640      5.087113      8.260065
  C       0.692414      2.926814      6.845750
  C       0.327305      3.158991      5.382130
  N      -0.974502      2.547329      5.138805
  H      -2.188879      6.176922      8.130461
  H      -2.281425      4.862298      9.321924
  H      -0.325441      5.219577      6.979284
  H       0.101042      5.032252      8.704448
  H       1.104243      2.717102      4.736283
  H       0.301874      4.240145      5.154020
  H       0.917834      1.861715      6.996935
  H       1.560323      3.522657      7.180275
  H      -1.293232      0.730131      9.838942
  H      -0.301474      0.432011      8.400495
  H      -1.120926      3.088761      9.683001
  H       0.546607      2.512446      9.408029
  C      -4.314869      4.379952      7.440452
  C      -4.820656      3.432487      6.372817
  C      -6.002342      3.661266      5.742522
  C      -6.597731      2.873150      4.687583
  N      -5.862616      1.902017      4.124381
  C      -6.403284      1.246267      3.075639
  N      -7.582637      1.436706      2.507601
  C      -8.374238      2.387591      3.088178
  C      -9.667598      2.616731      2.558442
  C     -10.499300      3.558607      3.130293
  C     -10.070545      4.301691      4.251849
  C      -8.811455      4.099563      4.785195
  C      -7.930172      3.150122      4.214549
  C      -1.044070      1.439315      4.186165
  C      -1.825877      0.316099      4.804231
  C      -2.696367     -0.577614      4.246981
  C      -3.222767     -0.631829      2.902997
  N      -3.044022      0.423098      2.084179
  C      -3.638438      0.392931      0.877864
  N      -4.386074     -0.565414      0.351705
  C      -4.544060     -1.681061      1.128183
  C      -5.310565     -2.757350      0.617972
  C      -5.476563     -3.910429      1.356854
  C      -4.870396     -4.034346      2.625485
  C      -4.126369     -2.994567      3.150903
  C      -3.959639     -1.784627      2.432557
  C      -3.194336      0.097832      8.158625
  C      -4.342644      0.561235      8.995902
  C      -5.649370      0.627940      8.649173
  C      -6.284111      0.126872      7.433099
  N      -5.631036     -0.754780      6.664438
  C      -6.253833     -1.216991      5.558917
  N      -7.489698     -0.974168      5.164507
  C      -8.188693     -0.076867      5.921296
  C      -9.510663      0.252789      5.531557
  C     -10.226025      1.197492      6.234392
  C      -9.648278      1.846896      7.349234
  C      -8.367668      1.534310      7.758803
  C      -7.610213      0.553868      7.069960
  H      -4.703292      5.394654      7.220932
  H      -4.691667      4.104017      8.451543
  H      -4.407386      2.400856      6.197140
  H      -6.535790      4.569461      6.034401
  H      -5.771174      0.476965      2.627278
  H      -9.976416      2.021942      1.697486
  H     -11.496106      3.729208      2.719077
  H     -10.740790      5.035073      4.703894
  H      -8.506930      4.665174      5.665955
  H      -0.020561      1.063633      3.975139
  H      -1.484646      1.749236      3.228154
  H      -1.525023      0.101833      5.836459
  H      -3.046896     -1.362229      4.919188
  H      -3.500591      1.289688      0.265461
  H      -5.755815     -2.638155     -0.370819
  H      -6.070607     -4.734726      0.958053
  H      -4.988711     -4.957335      3.195518
  H      -3.650437     -3.124852      4.122393
  H      -2.698826     -0.769712      8.636205
  H      -3.564537     -0.238957      7.184006
  H      -4.058868      1.007400      9.956251
  H      -6.314079      1.130121      9.353902
  H      -5.656438     -1.877195      4.920512
  H      -9.917940     -0.243248      4.649815
  H     -11.236210      1.463633      5.919200
  H     -10.218829      2.607535      7.884884
  H      -7.937386      2.060456      8.610696
89
Coordinates from ORCA-job orca E -6144.681558203361
  N      -2.892475      4.339634      7.390465
  Mo     -2.318081      2.636068      6.627303
  N      -2.240507      1.199954      7.976584
  C      -1.044107      1.113126      8.809831
  C      -0.467363      2.507591      8.985476
  N      -0.510945      3.251651      7.687510
  C      -0.621782      4.724651      7.940651
  C      -2.055828      5.074121      8.306989
  C       0.669224      2.947009      6.825380
  C       0.285317      3.196100      5.370140
  N      -1.015077      2.581229      5.131199
  H      -2.199017      6.167479      8.209844
  H      -2.278961      4.819083      9.364962
  H      -0.354449      5.234774      7.005908
  H       0.096529      5.022292      8.722978
  H       1.058769      2.768351      4.710276
  H       0.251898      4.280654      5.158383
  H       0.901364      1.880930      6.959945
  H       1.539449      3.543041      7.154684
  H      -1.271849      0.701729      9.810002
  H      -0.296833      0.428613      8.354081
  H      -1.098565      3.063107      9.691962
  H       0.563663      2.492562      9.377930
  C      -4.330479      4.386582      7.492747
  C      -4.837342      3.450025      6.420455
  C      -6.011927      3.687360      5.779904
  C      -6.600354      2.887286      4.729756
  N      -5.873339      1.885725      4.210256
  C      -6.406386      1.208062      3.172264
  N      -7.571003      1.404097      2.573770
  C      -8.352387      2.390253      3.106810
  C      -9.630901      2.627642      2.544198
  C     -10.455901      3.601355      3.070288
  C     -10.034978      4.370965      4.177495
  C      -8.790354      4.161893      4.742001
  C      -7.915789      3.177999      4.219232
  C      -1.094580      1.487001      4.165025
  C      -1.836895      0.339038      4.784634
  C      -2.700103     -0.566536      4.240745
  C      -3.252277     -0.620331      2.905239
  N      -3.101930      0.438571      2.087480
  C      -3.716629      0.402939      0.889990
  N      -4.461363     -0.565072      0.376707
  C      -4.589190     -1.684179      1.153768
  C      -5.348461     -2.772066      0.655911
  C      -5.479421     -3.929789      1.394921
  C      -4.844229     -4.047879      2.650917
  C      -4.107598     -2.997200      3.164436
  C      -3.977765     -1.782582      2.446219
  C      -3.184292      0.084477      8.129801
  C      -4.329877      0.521989      8.985210
  C      -5.639225      0.580622      8.646282
  C      -6.270596      0.071826      7.431548
  N      -5.632932     -0.849190      6.695855
  C      -6.260421     -1.326724      5.598830
  N      -7.489429     -1.067328      5.189852
  C      -8.170689     -0.129855      5.914127
  C      -9.481346      0.223864      5.506962
  C     -10.171241      1.214153      6.173346
  C      -9.577934      1.887854      7.265227
  C      -8.308237      1.552052      7.692082
  C      -7.580275      0.523745      7.043211
  H      -4.728134      5.401708      7.289351
  H      -4.695469      4.097581      8.504962
  H      -4.439110      2.415387      6.246482
  H      -6.541102      4.602033      6.056736
  H      -5.784735      0.407544      2.765116
  H      -9.934041      2.012227      1.695558
  H     -11.441035      3.777446      2.633580
  H     -10.698768      5.131784      4.592701
  H      -8.493363      4.751054      5.609714
  H      -0.070768      1.133589      3.918055
  H      -1.567184      1.800559      3.223764
  H      -1.511018      0.127397      5.809569
  H      -3.022644     -1.363596      4.912944
  H      -3.597771      1.301571      0.274972
  H      -5.815730     -2.658114     -0.323461
  H      -6.067751     -4.763085      1.005932
  H      -4.935050     -4.974892      3.219746
  H      -3.608290     -3.119498      4.126231
  H      -2.675571     -0.788491      8.582600
  H      -3.557796     -0.237373      7.149919
  H      -4.040444      0.958287      9.948479
  H      -6.309232      1.073330      9.353792
  H      -5.674467     -2.015873      4.980802
  H      -9.899609     -0.289876      4.640400
  H     -11.171813      1.499187      5.843853
  H     -10.127109      2.686083      7.767777
  H      -7.860497      2.096138      8.523714
89
Coordinates from ORCA-job orca E -6144.682591619262
  N      -2.905930      4.342410      7.411682
  Mo     -2.330968      2.641502      6.638554
  N      -2.239616      1.194656      7.973044
  C      -1.034794      1.100755      8.795523
  C      -0.458168      2.494860      8.981264
  N      -0.517916      3.256221      7.692530
  C      -0.634783      4.725896      7.964772
  C      -2.069598      5.059344      8.344768
  C       0.656817      2.966508      6.815625
  C       0.258494      3.230986      5.366358
  N      -1.042400      2.613591      5.129962
  H      -2.218311      6.154126      8.276603
  H      -2.288034      4.776224      9.396592
  H      -0.377739      5.248387      7.034087
  H       0.087437      5.019006      8.745019
  H       1.027924      2.814456      4.694639
  H       0.219928      4.317749      5.168309
  H       0.894295      1.899930      6.935247
  H       1.527871      3.561455      7.144509
  H      -1.253756      0.678150      9.793039
  H      -0.290438      0.422252      8.326552
  H      -1.080675      3.040515      9.702948
  H       0.577628      2.476836      9.360302
  C      -4.346086      4.380477      7.517914
  C      -4.845568      3.447759      6.438262
  C      -6.006693      3.690215      5.776061
  C      -6.574517      2.874877      4.726870
  N      -5.841684      1.855272      4.251940
  C      -6.355407      1.149506      3.223436
  N      -7.506999      1.332979      2.596423
  C      -8.292895      2.339173      3.082933
  C      -9.559586      2.563038      2.488548
  C     -10.391370      3.554293      2.968212
  C      -9.988859      4.357295      4.058719
  C      -8.755991      4.162327      4.652787
  C      -7.875487      3.159487      4.178697
  C      -1.130339      1.531039      4.149980
  C      -1.844768      0.363371      4.765531
  C      -2.703741     -0.546235      4.223486
  C      -3.266700     -0.595371      2.892167
  N      -3.117199      0.462243      2.073488
  C      -3.740823      0.427667      0.880245
  N      -4.495184     -0.536734      0.374237
  C      -4.622367     -1.653983      1.153651
  C      -5.390754     -2.739091      0.663891
  C      -5.518455     -3.896091      1.404610
  C      -4.871169     -4.016475      2.654381
  C      -4.126522     -2.967967      3.160522
  C      -4.000106     -1.754457      2.440127
  C      -3.175352      0.068908      8.109397
  C      -4.312903      0.482737      8.987816
  C      -5.627329      0.540699      8.667895
  C      -6.271721      0.046560      7.453982
  N      -5.657089     -0.890885      6.720012
  C      -6.304689     -1.362508      5.631638
  N      -7.534828     -1.087218      5.235510
  C      -8.191721     -0.132119      5.959108
  C      -9.501729      0.240281      5.567441
  C     -10.163959      1.250544      6.232464
  C      -9.542050      1.927697      7.305808
  C      -8.272616      1.573151      7.718501
  C      -7.575149      0.521922      7.073234
  H      -4.750364      5.394766      7.323780
  H      -4.708093      4.081659      8.528505
  H      -4.454748      2.407866      6.276802
  H      -6.537505      4.608719      6.035872
  H      -5.732455      0.331277      2.855913
  H      -9.848432      1.922582      1.653811
  H     -11.367197      3.719220      2.507473
  H     -10.657112      5.133064      4.436625
  H      -8.473924      4.779074      5.506134
  H      -0.108819      1.195911      3.869791
  H      -1.630748      1.852834      3.225895
  H      -1.506529      0.148950      5.785951
  H      -3.013779     -1.350072      4.892662
  H      -3.618222      1.322643      0.261613
  H      -5.866755     -2.623973     -0.310897
  H      -6.113318     -4.727304      1.021891
  H      -4.959505     -4.943096      3.223828
  H      -3.618138     -3.090337      4.117461
  H      -2.655651     -0.810947      8.535083
  H      -3.555420     -0.235912      7.126315
  H      -4.013617      0.901624      9.955366
  H      -6.292307      1.012576      9.393988
  H      -5.737594     -2.065732      5.012792
  H      -9.941749     -0.274580      4.712652
  H     -11.163537      1.550156      5.913854
  H     -10.068142      2.743504      7.804225
  H      -7.799408      2.119825      8.534032
89
Coordinates from ORCA-job orca E -6144.683501901618
  N      -2.931791      4.336169      7.442255
  Mo     -2.352017      2.643830      6.649354
  N      -2.238774      1.183517      7.965074
  C      -1.023478      1.083567      8.772911
  C      -0.451122      2.479062      8.970178
  N      -0.532324      3.261277      7.693596
  C      -0.659056      4.726179      7.989557
  C      -2.094545      5.039202      8.387579
  C       0.635935      2.994650      6.798512
  C       0.217623      3.276546      5.357005
  N      -1.079968      2.648230      5.126466
  H      -2.252466      6.133981      8.347484
  H      -2.303174      4.728978      9.433571
  H      -0.416320      5.263933      7.063860
  H       0.068082      5.015201      8.766429
  H       0.983745      2.877973      4.670831
  H       0.166081      4.365370      5.175604
  H       0.883852      1.928712      6.899613
  H       1.505608      3.591790      7.126240
  H      -1.229741      0.647390      9.767297
  H      -0.281792      0.414430      8.287515
  H      -1.065274      3.010610      9.709257
  H       0.590006      2.461144      9.333439
  C      -4.372934      4.364253      7.551817
  C      -4.864344      3.436516      6.463290
  C      -6.013496      3.688338      5.782437
  C      -6.577005      2.870100      4.733566
  N      -5.860626      1.823954      4.290720
  C      -6.377422      1.105986      3.272649
  N      -7.516381      1.301209      2.627394
  C      -8.284201      2.336854      3.078756
  C      -9.536896      2.576050      2.461376
  C     -10.351746      3.596630      2.906503
  C      -9.944848      4.415385      3.983453
  C      -8.724893      4.206131      4.598123
  C      -7.862437      3.172473      4.160299
  C      -1.168263      1.579785      4.129702
  C      -1.830715      0.381336      4.744808
  C      -2.678860     -0.542641      4.211671
  C      -3.265169     -0.593190      2.890820
  N      -3.138069      0.466509      2.071576
  C      -3.785911      0.429621      0.891625
  N      -4.545900     -0.537084      0.400381
  C      -4.652552     -1.655454      1.180592
  C      -5.427564     -2.742381      0.706482
  C      -5.535826     -3.899955      1.448972
  C      -4.863460     -4.018667      2.685331
  C      -4.112550     -2.967949      3.176946
  C      -4.003488     -1.754806      2.453311
  C      -3.166632      0.049703      8.090027
  C      -4.295292      0.442296      8.988978
  C      -5.611943      0.496389      8.680819
  C      -6.257175      0.006890      7.465656
  N      -5.656050     -0.951581      6.748091
  C      -6.309434     -1.426183      5.664120
  N      -7.532474     -1.133659      5.260143
  C      -8.172580     -0.152955      5.964363
  C      -9.471962      0.241931      5.561290
  C     -10.112711      1.279378      6.205293
  C      -9.478797      1.962460      7.267329
  C      -8.219927      1.585467      7.691982
  C      -7.546711      0.505425      7.069862
  H      -4.784266      5.377463      7.368501
  H      -4.732112      4.053985      8.560087
  H      -4.479515      2.389824      6.315233
  H      -6.540682      4.611427      6.033210
  H      -5.771288      0.264229      2.932787
  H      -9.829130      1.923170      1.637816
  H     -11.317284      3.772793      2.429108
  H     -10.599276      5.215011      4.333902
  H      -8.439097      4.838532      5.438859
  H      -0.147914      1.279294      3.809463
  H      -1.706661      1.903187      3.227684
  H      -1.469307      0.169246      5.757813
  H      -2.959766     -1.357034      4.879952
  H      -3.678861      1.324742      0.271459
  H      -5.924191     -2.628232     -0.257811
  H      -6.135714     -4.732771      1.078561
  H      -4.937922     -4.945612      3.255831
  H      -3.586487     -3.087117      4.124004
  H      -2.637540     -0.836508      8.490016
  H      -3.555240     -0.238590      7.105598
  H      -3.988651      0.851964      9.957687
  H      -6.277151      0.954947      9.415153
  H      -5.756255     -2.153241      5.060858
  H      -9.920562     -0.276750      4.713552
  H     -11.103290      1.596721      5.876560
  H      -9.986430      2.800804      7.746595
  H      -7.733454      2.136709      8.496612
89
Coordinates from ORCA-job orca E -6144.684359617333
  N      -2.950522      4.329435      7.470452
  Mo     -2.365377      2.647501      6.658866
  N      -2.238554      1.178100      7.959898
  C      -1.014961      1.072486      8.756430
  C      -0.445643      2.469049      8.963288
  N      -0.540639      3.267720      7.695749
  C      -0.674733      4.729150      8.009142
  C      -2.111353      5.028443      8.419820
  C       0.623851      3.017803      6.788036
  C       0.188159      3.307114      5.351654
  N      -1.104512      2.664066      5.126478
  H      -2.276790      6.122422      8.394071
  H      -2.311310      4.704498      9.463194
  H      -0.442102      5.276972      7.086722
  H       0.056106      5.015907      8.783206
  H       0.953455      2.924412      4.655488
  H       0.122735      4.396753      5.181735
  H       0.881815      1.953506      6.878996
  H       1.491010      3.619898      7.112707
  H      -1.212027      0.626092      9.748161
  H      -0.275410      0.410620      8.258592
  H      -1.054836      2.990120      9.713964
  H       0.598997      2.452059      9.315833
  C      -4.393284      4.353171      7.574069
  C      -4.872384      3.424505      6.478682
  C      -6.004096      3.685533      5.771276
  C      -6.558527      2.861526      4.722455
  N      -5.849838      1.799325      4.305234
  C      -6.366364      1.067425      3.296982
  N      -7.498300      1.263691      2.639383
  C      -8.256368      2.318247      3.062123
  C      -9.501038      2.560406      2.429284
  C     -10.307643      3.598435      2.848139
  C      -9.899912      4.432715      3.913078
  C      -8.687255      4.221284      4.540872
  C      -7.833973      3.169427      4.130400
  C      -1.188346      1.608789      4.114209
  C      -1.803368      0.381999      4.722632
  C      -2.647970     -0.544850      4.192678
  C      -3.256777     -0.585238      2.881000
  N      -3.134793      0.474020      2.060927
  C      -3.799681      0.440326      0.889575
  N      -4.572321     -0.521799      0.409795
  C      -4.677911     -1.637798      1.193604
  C      -5.469507     -2.718693      0.733601
  C      -5.578211     -3.872870      1.481470
  C      -4.891465     -3.993728      2.709854
  C      -4.124388     -2.948589      3.188194
  C      -4.012184     -1.740428      2.457004
  C      -3.165376      0.041471      8.075478
  C      -4.285052      0.424208      8.990378
  C      -5.604676      0.471384      8.696329
  C      -6.256015     -0.018505      7.483594
  N      -5.660957     -0.984089      6.771026
  C      -6.322368     -1.462344      5.692153
  N      -7.542020     -1.159429      5.286387
  C      -8.172508     -0.167122      5.983223
  C      -9.465533      0.242345      5.575918
  C     -10.095096      1.289748      6.215482
  C      -9.456246      1.968023      7.277475
  C      -8.202492      1.577438      7.705567
  C      -7.541155      0.488541      7.086722
  H      -4.806870      5.365722      7.393232
  H      -4.756381      4.038832      8.579605
  H      -4.494231      2.369919      6.355316
  H      -6.529404      4.612906      6.009167
  H      -5.770645      0.208925      2.980643
  H      -9.794022      1.895130      1.615979
  H     -11.267431      3.776106      2.359875
  H     -10.548014      5.245885      4.243274
  H      -8.400315      4.867917      5.370447
  H      -0.169228      1.344775      3.759854
  H      -1.759355      1.931623      3.232450
  H      -1.425877      0.169820      5.729462
  H      -2.908568     -1.369843      4.855659
  H      -3.694207      1.334306      0.266751
  H      -5.978356     -2.602579     -0.224044
  H      -6.190887     -4.701278      1.122398
  H      -4.968487     -4.917905      3.284456
  H      -3.590005     -3.067014      4.130585
  H      -2.633255     -0.851939      8.455340
  H      -3.561132     -0.233416      7.089520
  H      -3.970256      0.831238      9.957352
  H      -6.268121      0.922298      9.437344
  H      -5.779315     -2.202398      5.095833
  H      -9.918897     -0.272724      4.728493
  H     -11.080839      1.618061      5.882760
  H      -9.954889      2.813800      7.753102
  H      -7.709172      2.123706      8.509685
89
Coordinates from ORCA-job orca E -6144.685164893725
  N      -2.967857      4.324866      7.500690
  Mo     -2.387003      2.653787      6.667413
  N      -2.244916      1.169533      7.949694
  C      -1.011476      1.055640      8.730892
  C      -0.441671      2.450602      8.949125
  N      -0.551910      3.269834      7.695037
  C      -0.691675      4.726081      8.034237
  C      -2.128188      5.011040      8.460346
  C       0.604849      3.040097      6.770550
  C       0.150228      3.345899      5.342405
  N      -1.141676      2.696246      5.122162
  H      -2.300992      6.103833      8.456750
  H      -2.319921      4.665171      9.497912
  H      -0.470076      5.289318      7.118321
  H       0.044187      5.005108      8.806143
  H       0.909750      2.977852      4.632406
  H       0.074987      4.437266      5.188454
  H       0.869511      1.976098      6.844068
  H       1.471672      3.642273      7.095347
  H      -1.197800      0.598788      9.719960
  H      -0.277552      0.399517      8.218097
  H      -1.043055      2.960499      9.713710
  H       0.607122      2.430432      9.288929
  C      -4.412943      4.344713      7.599280
  C      -4.880902      3.418522      6.492610
  C      -5.995979      3.693240      5.763471
  C      -6.554821      2.871826      4.716608
  N      -5.864261      1.791246      4.315641
  C      -6.393421      1.052851      3.318380
  N      -7.522385      1.257837      2.658577
  C      -8.261555      2.333584      3.062516
  C      -9.501260      2.587783      2.424886
  C     -10.289249      3.647256      2.826648
  C      -9.866824      4.490641      3.878426
  C      -8.658161      4.267409      4.510104
  C      -7.824008      3.194320      4.116769
  C      -1.222239      1.653223      4.094376
  C      -1.782655      0.396519      4.697847
  C      -2.610635     -0.549183      4.172035
  C      -3.240217     -0.599183      2.870076
  N      -3.139678      0.458298      2.044877
  C      -3.819409      0.414686      0.882394
  N      -4.583674     -0.557842      0.411973
  C      -4.669925     -1.672525      1.199954
  C      -5.455621     -2.761843      0.750367
  C      -5.549168     -3.913525      1.503757
  C      -4.853696     -4.022671      2.727852
  C      -4.091634     -2.969344      3.196469
  C      -3.992446     -1.763542      2.458509
  C      -3.169826      0.030425      8.060159
  C      -4.279937      0.397782      8.992754
  C      -5.602283      0.441571      8.712021
  C      -6.260989     -0.043268      7.499908
  N      -5.678120     -1.020120      6.793080
  C      -6.346253     -1.496737      5.716549
  N      -7.558097     -1.174836      5.304782
  C      -8.173905     -0.166831      5.992410
  C      -9.455929      0.264742      5.574466
  C     -10.070420      1.325810      6.205911
  C      -9.427411      1.995215      7.271295
  C      -8.184032      1.583342      7.709750
  C      -7.537540      0.481370      7.097878
  H      -4.827237      5.357532      7.423173
  H      -4.780245      4.021750      8.599971
  H      -4.513298      2.355763      6.393920
  H      -6.512418      4.627106      5.995466
  H      -5.814775      0.176363      3.018430
  H      -9.805783      1.914799      1.622043
  H     -11.245797      3.834487      2.335294
  H     -10.501004      5.320115      4.195417
  H      -8.359618      4.921677      5.329478
  H      -0.207604      1.429392      3.703259
  H      -1.829249      1.974223      3.236447
  H      -1.387431      0.187179      5.698683
  H      -2.836433     -1.385148      4.833777
  H      -3.730762      1.308134      0.255950
  H      -5.973155     -2.653611     -0.203690
  H      -6.157660     -4.748710      1.152925
  H      -4.920537     -4.944548      3.307675
  H      -3.553835     -3.079417      4.137287
  H      -2.633629     -0.869176      8.419316
  H      -3.575449     -0.229251      7.074283
  H      -3.957665      0.798991      9.959791
  H      -6.261428      0.885091      9.461325
  H      -5.815300     -2.252220      5.128555
  H      -9.913150     -0.244318      4.725307
  H     -11.047553      1.670997      5.864323
  H      -9.913802      2.851546      7.741111
  H      -7.686413      2.123210      8.515744
89
Coordinates from ORCA-job orca E -6144.686010609926
  N      -2.983681      4.324310      7.531682
  Mo     -2.404568      2.662025      6.682102
  N      -2.245085      1.170589      7.953805
  C      -1.003556      1.056620      8.721018
  C      -0.436028      2.451799      8.941526
  N      -0.560774      3.279000      7.694013
  C      -0.704691      4.732302      8.045322
  C      -2.138817      5.010967      8.485928
  C       0.587650      3.059668      6.756927
  C       0.115052      3.363542      5.334484
  N      -1.173471      2.702364      5.122565
  H      -2.316136      6.102975      8.486409
  H      -2.318938      4.661155      9.524271
  H      -0.494505      5.302468      7.130764
  H       0.037442      5.009298      8.812069
  H       0.871564      3.006853      4.615681
  H       0.026710      4.455130      5.186665
  H       0.861219      1.997547      6.826777
  H       1.452665      3.668772      7.073588
  H      -1.178454      0.594624      9.709838
  H      -0.273133      0.405341      8.196948
  H      -1.031474      2.955733      9.714667
  H       0.616414      2.432439      9.270370
  C      -4.428894      4.344447      7.625362
  C      -4.885458      3.410693      6.517845
  C      -5.983635      3.692576      5.764715
  C      -6.539209      2.865165      4.722648
  N      -5.850774      1.777000      4.337036
  C      -6.375139      1.032402      3.342204
  N      -7.496174      1.237566      2.668548
  C      -8.232629      2.322866      3.053507
  C      -9.462154      2.580512      2.398059
  C     -10.246666      3.650518      2.779720
  C      -9.830430      4.500781      3.828175
  C      -8.630968      4.274489      4.477010
  C      -7.800539      3.190734      4.104709
  C      -1.252241      1.671409      4.082002
  C      -1.775103      0.393963      4.675953
  C      -2.598986     -0.554455      4.150879
  C      -3.241052     -0.599477      2.853890
  N      -3.128824      0.452033      2.023469
  C      -3.812047      0.412703      0.862045
  N      -4.586284     -0.553614      0.396478
  C      -4.688884     -1.662056      1.191720
  C      -5.490620     -2.742441      0.748693
  C      -5.605292     -3.885597      1.512016
  C      -4.916804     -3.994454      2.740176
  C      -4.138371     -2.950251      3.201921
  C      -4.014428     -1.753757      2.452313
  C      -3.166146      0.029061      8.069357
  C      -4.269818      0.388041      9.012894
  C      -5.594142      0.420982      8.742287
  C      -6.253538     -0.071808      7.532927
  N      -5.668777     -1.054312      6.835752
  C      -6.332081     -1.536040      5.757707
  N      -7.536103     -1.206443      5.331376
  C      -8.151869     -0.190007      6.007136
  C      -9.423045      0.252638      5.568778
  C     -10.036891      1.320708      6.189250
  C      -9.404989      1.984733      7.264735
  C      -8.171819      1.562823      7.722301
  C      -7.524922      0.455823      7.119698
  H      -4.843430      5.355998      7.442301
  H      -4.800637      4.023688      8.624755
  H      -4.532483      2.339623      6.453654
  H      -6.492434      4.634452      5.980233
  H      -5.797692      0.149851      3.056367
  H      -9.761783      1.902212      1.597619
  H     -11.195621      3.840655      2.274584
  H     -10.462169      5.338504      4.128780
  H      -8.336921      4.934922      5.292910
  H      -0.242376      1.479705      3.663917
  H      -1.884841      1.990800      3.241842
  H      -1.373153      0.184994      5.674054
  H      -2.812451     -1.396763      4.809336
  H      -3.714802      1.303563      0.231998
  H      -6.004379     -2.633589     -0.207488
  H      -6.226685     -4.713869      1.166869
  H      -5.002927     -4.909171      3.329030
  H      -3.609661     -3.059497      4.148272
  H      -2.624688     -0.871187      8.418997
  H      -3.578810     -0.227393      7.084758
  H      -3.941585      0.794278      9.975962
  H      -6.253081      0.863198      9.492745
  H      -5.802356     -2.301792      5.181636
  H      -9.872481     -0.253050      4.713324
  H     -11.005238      1.674717      5.831505
  H      -9.891174      2.845575      7.726829
  H      -7.682005      2.098603      8.535767
89
Coordinates from ORCA-job orca E -6144.686882491895
  N      -3.002624      4.322564      7.560495
  Mo     -2.427295      2.667467      6.693987
  N      -2.247487      1.166799      7.954874
  C      -0.998640      1.055394      8.709713
  C      -0.433743      2.450995      8.932549
  N      -0.573239      3.284558      7.691409
  C      -0.720746      4.734712      8.054775
  C      -2.151778      5.008180      8.509185
  C       0.565813      3.076311      6.742351
  C       0.077277      3.378170      5.325491
  N      -1.208155      2.706888      5.120103
  H      -2.331387      6.099885      8.513438
  H      -2.321143      4.654693      9.548307
  H      -0.521732      5.312505      7.142283
  H       0.027291      5.008594      8.817142
  H       0.831316      3.032362      4.599012
  H      -0.023643      4.469967      5.183233
  H       0.848933      2.016208      6.808271
  H       1.428681      3.693016      7.050444
  H      -1.162196      0.588118      9.698046
  H      -0.270659      0.409625      8.174818
  H      -1.023481      2.948587      9.714081
  H       0.622007      2.432224      9.251174
  C      -4.447832      4.346776      7.649536
  C      -4.892726      3.406294      6.541692
  C      -5.972305      3.697092      5.763529
  C      -6.521402      2.865074      4.723825
  N      -5.830318      1.773215      4.350004
  C      -6.345861      1.024384      3.354463
  N      -7.459291      1.226075      2.666891
  C      -8.199121      2.314352      3.038915
  C      -9.421308      2.569194      2.369612
  C     -10.209287      3.642067      2.737411
  C      -9.803791      4.497298      3.785423
  C      -8.611083      4.273650      4.448686
  C      -7.777084      3.187539      4.090459
  C      -1.285016      1.688525      4.067715
  C      -1.767827      0.391749      4.652463
  C      -2.581355     -0.564470      4.129561
  C      -3.233451     -0.606839      2.836923
  N      -3.109680      0.439215      2.003107
  C      -3.794537      0.405193      0.841795
  N      -4.576185     -0.555793      0.379066
  C      -4.693195     -1.659080      1.179602
  C      -5.505810     -2.732469      0.739062
  C      -5.639249     -3.868409      1.509881
  C      -4.959694     -3.976347      2.743333
  C      -4.169430     -2.939818      3.201286
  C      -4.023499     -1.751392      2.443061
  C      -3.161498      0.020565      8.077788
  C      -4.260612      0.372388      9.029729
  C      -5.587384      0.398855      8.770008
  C      -6.252312     -0.094962      7.563888
  N      -5.675650     -1.085655      6.871514
  C      -6.341157     -1.563672      5.792969
  N      -7.538529     -1.220223      5.359688
  C      -8.145831     -0.195638      6.031155
  C      -9.407893      0.263055      5.582828
  C     -10.012518      1.339043      6.198987
  C      -9.381186      1.993395      7.280657
  C      -8.156858      1.556081      7.747455
  C      -7.518074      0.442832      7.147635
  H      -4.861083      5.357270      7.457097
  H      -4.824864      4.029071      8.647581
  H      -4.561903      2.324800      6.514975
  H      -6.471564      4.648125      5.960466
  H      -5.764428      0.140744      3.079757
  H      -9.712780      1.887009      1.569408
  H     -11.152509      3.830374      2.220899
  H     -10.438120      5.337358      4.074265
  H      -8.325310      4.937494      5.264650
  H      -0.281330      1.529360      3.623477
  H      -1.943364      2.003672      3.245218
  H      -1.358928      0.185299      5.648027
  H      -2.779585     -1.414024      4.784502
  H      -3.689662      1.294115      0.209986
  H      -6.013929     -2.623249     -0.220066
  H      -6.269667     -4.691021      1.167404
  H      -5.062697     -4.884506      3.339661
  H      -3.650230     -3.048557      4.153378
  H      -2.613000     -0.877247      8.422106
  H      -3.579774     -0.236762      7.095185
  H      -3.925408      0.781276      9.989383
  H      -6.242916      0.839750      9.524462
  H      -5.817909     -2.337012      5.221450
  H      -9.857275     -0.236297      4.723717
  H     -10.972965      1.706212      5.833333
  H      -9.860530      2.859416      7.740234
  H      -7.668000      2.084865      8.565931
89
Coordinates from ORCA-job orca E -6144.687780067203
  N      -3.021964      4.322149      7.595623
  Mo     -2.456428      2.673084      6.710675
  N      -2.253421      1.159848      7.956462
  C      -0.995784      1.050532      8.696259
  C      -0.433728      2.446232      8.923149
  N      -0.589731      3.287424      7.689860
  C      -0.736268      4.734548      8.065755
  C      -2.161999      5.004227      8.537460
  C       0.535957      3.089598      6.724826
  C       0.028243      3.395842      5.315845
  N      -1.255202      2.717075      5.119413
  H      -2.341044      6.096174      8.546576
  H      -2.319382      4.647391      9.577624
  H      -0.549035      5.320052      7.155507
  H       0.020157      5.002993      8.822005
  H       0.776765      3.061102      4.578510
  H      -0.082426      4.488187      5.182062
  H       0.826520      2.030867      6.782893
  H       1.399374      3.710925      7.022702
  H      -1.145668      0.575349      9.683077
  H      -0.270684      0.412022      8.148091
  H      -1.016155      2.936339      9.714919
  H       0.625583      2.427671      9.230106
  C      -4.466019      4.353171      7.681848
  C      -4.898731      3.406990      6.574500
  C      -5.958548      3.707325      5.770129
  C      -6.499205      2.870373      4.731680
  N      -5.808242      1.771713      4.373310
  C      -6.316602      1.017720      3.378155
  N      -7.422046      1.217236      2.676051
  C      -8.162633      2.310310      3.034127
  C      -9.378850      2.562549      2.353450
  C     -10.169082      3.638477      2.708255
  C      -9.772222      4.499074      3.754851
  C      -8.585244      4.277765      4.430036
  C      -7.748862      3.189384      4.084205
  C      -1.338419      1.713834      4.053631
  C      -1.777268      0.395645      4.624637
  C      -2.572430     -0.574675      4.102749
  C      -3.231356     -0.619564      2.812909
  N      -3.102186      0.421401      1.975659
  C      -3.786248      0.385885      0.813138
  N      -4.566854     -0.576699      0.352266
  C      -4.690082     -1.674721      1.158804
  C      -5.503666     -2.748555      0.720511
  C      -5.647699     -3.877535      1.499606
  C      -4.978259     -3.977232      2.739773
  C      -4.185913     -2.940975      3.193950
  C      -4.027033     -1.760596      2.426201
  C      -3.160133      0.009294      8.087518
  C      -4.255009      0.358304      9.045770
  C      -5.583380      0.384086      8.794193
  C      -6.251670     -0.108281      7.589690
  N      -5.683255     -1.107736      6.903327
  C      -6.349603     -1.581473      5.823476
  N      -7.540306     -1.223716      5.381756
  C      -8.138596     -0.190530      6.048550
  C      -9.391995      0.283597      5.590937
  C      -9.987504      1.367508      6.202544
  C      -9.355869      2.013715      7.288948
  C      -8.139996      1.561857      7.764150
  C      -7.510171      0.441449      7.168274
  H      -4.876315      5.362925      7.479349
  H      -4.848350      4.039805      8.679011
  H      -4.598340      2.314237      6.585687
  H      -6.446692      4.668375      5.946665
  H      -5.733928      0.130753      3.117008
  H      -9.664655      1.875718      1.555107
  H     -11.107650      3.824436      2.182395
  H     -10.408218      5.341405      4.033383
  H      -8.306110      4.944331      5.246320
  H      -0.344191      1.586567      3.579222
  H      -2.024555      2.026632      3.252698
  H      -1.358535      0.190976      5.616409
  H      -2.747608     -1.434193      4.751841
  H      -3.680216      1.272780      0.179763
  H      -6.005145     -2.644422     -0.242660
  H      -6.279387     -4.700116      1.159371
  H      -5.091063     -4.878646      3.344538
  H      -3.676459     -3.043858      4.152333
  H      -2.604311     -0.884546      8.429507
  H      -3.583507     -0.251216      7.107694
  H      -3.912920      0.769221     10.002265
  H      -6.235087      0.825864      9.551746
  H      -5.833419     -2.365040      5.259367
  H      -9.841595     -0.210677      4.729043
  H     -10.940324      1.747190      5.829770
  H      -9.828223      2.885119      7.745620
  H      -7.651888      2.084877      8.586855
89
Coordinates from ORCA-job orca E -6144.688762064516
  N      -3.042322      4.322881      7.633571
  Mo     -2.494047      2.678296      6.724932
  N      -2.261727      1.147989      7.952495
  C      -0.993674      1.043118      8.676099
  C      -0.435827      2.439897      8.909237
  N      -0.610230      3.289046      7.685255
  C      -0.751558      4.733285      8.074812
  C      -2.170073      4.999243      8.567046
  C       0.499704      3.100430      6.702596
  C      -0.026602      3.413155      5.302540
  N      -1.310156      2.730548      5.116087
  H      -2.346124      6.091860      8.582137
  H      -2.314381      4.639361      9.608242
  H      -0.576494      5.327661      7.167992
  H       0.014681      4.993713      8.824022
  H       0.714840      3.086270      4.554442
  H      -0.142815      4.505943      5.175881
  H       0.796009      2.042756      6.750162
  H       1.365766      3.724203      6.988292
  H      -1.127483      0.557310      9.660002
  H      -0.270663      0.414983      8.112832
  H      -1.010589      2.920297      9.712596
  H       0.626821      2.421949      9.204434
  C      -4.484881      4.364868      7.720482
  C      -4.906524      3.415902      6.612021
  C      -5.948063      3.725388      5.782444
  C      -6.476806      2.884941      4.742680
  N      -5.780811      1.784602      4.392493
  C      -6.278975      1.030565      3.392334
  N      -7.375603      1.229046      2.674961
  C      -8.122249      2.319822      3.028616
  C      -9.334765      2.568422      2.340423
  C     -10.134202      3.638099      2.693925
  C      -9.751068      4.495931      3.747482
  C      -8.567699      4.277975      4.430684
  C      -7.722072      3.197073      4.084999
  C      -1.404412      1.740097      4.040989
  C      -1.798060      0.403309      4.600770
  C      -2.564976     -0.589430      4.081695
  C      -3.221353     -0.644002      2.789939
  N      -3.079683      0.388937      1.946468
  C      -3.754952      0.347931      0.778392
  N      -4.532747     -0.617586      0.318275
  C      -4.668197     -1.706737      1.134033
  C      -5.481116     -2.781856      0.697039
  C      -5.642510     -3.900456      1.487570
  C      -4.991424     -3.987591      2.739000
  C      -4.198466     -2.950827      3.189984
  C      -4.020156     -1.781845      2.409578
  C      -3.157667     -0.009065      8.094900
  C      -4.249922      0.343293      9.055402
  C      -5.579270      0.374348      8.809726
  C      -6.252244     -0.114806      7.607649
  N      -5.694479     -1.122361      6.924376
  C      -6.362666     -1.588660      5.843463
  N      -7.548904     -1.217539      5.397237
  C      -8.136678     -0.177925      6.063406
  C      -9.384219      0.309588      5.601951
  C      -9.969983      1.399930      6.211519
  C      -9.333962      2.039152      7.299549
  C      -8.123931      1.575025      7.777724
  C      -7.504065      0.448060      7.183941
  H      -4.890253      5.374472      7.508392
  H      -4.871624      4.056066      8.717163
  H      -4.650316      2.311488      6.656143
  H      -6.426007      4.695383      5.938804
  H      -5.691915      0.144834      3.139346
  H      -9.611761      1.882865      1.538011
  H     -11.069844      3.820145      2.161704
  H     -10.393804      5.333093      4.025497
  H      -8.298677      4.939268      5.254892
  H      -0.421624      1.639184      3.536927
  H      -2.116922      2.047854      3.261052
  H      -1.370103      0.205457      5.590303
  H      -2.714419     -1.457069      4.725844
  H      -3.640460      1.228624      0.139670
  H      -5.969190     -2.686236     -0.273710
  H      -6.273987     -4.723397      1.148391
  H      -5.118555     -4.879148      3.355174
  H      -3.704422     -3.045496      4.157193
  H      -2.592845     -0.894592      8.441862
  H      -3.585492     -0.278791      7.119992
  H      -3.900660      0.757042     10.008177
  H      -6.224392      0.820542      9.570231
  H      -5.854776     -2.381537      5.284636
  H      -9.836346     -0.181109      4.739493
  H     -10.917396      1.790408      5.836601
  H      -9.798746      2.914913      7.755387
  H      -7.634953      2.094427      8.602268
89
Coordinates from ORCA-job orca E -6144.689790322509
  N      -3.062066      4.322280      7.679667
  Mo     -2.533053      2.684761      6.742856
  N      -2.270436      1.137912      7.947006
  C      -0.989629      1.033045      8.649399
  C      -0.435282      2.430688      8.890767
  N      -0.630665      3.293156      7.679708
  C      -0.764666      4.733479      8.087000
  C      -2.175761      4.992336      8.605049
  C       0.461984      3.115042      6.675310
  C      -0.089922      3.437840      5.286695
  N      -1.372845      2.749480      5.115959
  H      -2.351882      6.084766      8.631175
  H      -2.303542      4.625519      9.645686
  H      -0.603872      5.337448      7.184152
  H       0.013423      4.985570      8.826522
  H       0.640933      3.120240      4.524193
  H      -0.212036      4.530794      5.170014
  H       0.762810      2.058354      6.708080
  H       1.331971      3.738962      6.948180
  H      -1.105103      0.534148      9.628904
  H      -0.271448      0.416775      8.067800
  H      -0.999933      2.898974      9.708329
  H       0.631443      2.413854      9.170453
  C      -4.504608      4.372631      7.768400
  C      -4.914269      3.420857      6.656861
  C      -5.934573      3.741606      5.800580
  C      -6.453323      2.898721      4.759711
  N      -5.759386      1.791433      4.422887
  C      -6.252093      1.035291      3.421822
  N      -7.337601      1.238641      2.688791
  C      -8.081903      2.334965      3.029745
  C      -9.285671      2.588152      2.327732
  C     -10.085080      3.660793      2.671370
  C      -9.710926      4.517760      3.728791
  C      -8.535768      4.295653      4.424189
  C      -7.690130      3.212467      4.087803
  C      -1.480758      1.771956      4.030324
  C      -1.812833      0.412044      4.575400
  C      -2.548828     -0.603615      4.058023
  C      -3.213777     -0.666029      2.770033
  N      -3.078016      0.364566      1.922879
  C      -3.756734      0.315293      0.756912
  N      -4.530071     -0.656345      0.302775
  C      -4.660629     -1.741251      1.124217
  C      -5.470763     -2.821211      0.694345
  C      -5.630967     -3.934075      1.492799
  C      -4.982029     -4.010235      2.746090
  C      -4.190694     -2.969226      3.189579
  C      -4.011714     -1.806798      2.399367
  C      -3.159980     -0.023840      8.094620
  C      -4.247718      0.329413      9.060505
  C      -5.577547      0.365003      8.819406
  C      -6.253323     -0.122892      7.618363
  N      -5.703144     -1.139098      6.941552
  C      -6.372683     -1.604253      5.861404
  N      -7.552827     -1.222180      5.407904
  C      -8.132266     -0.174156      6.067787
  C      -9.373196      0.323658      5.599832
  C      -9.951749      1.420573      6.203935
  C      -9.314629      2.056541      7.293157
  C      -8.110767      1.583013      7.777327
  C      -7.498705      0.449354      7.188877
  H      -4.905956      5.382709      7.551661
  H      -4.894847      4.067544      8.764557
  H      -4.698500      2.307614      6.734623
  H      -6.401542      4.719576      5.937936
  H      -5.670022      0.143032      3.181547
  H      -9.557243      1.902523      1.523666
  H     -11.014262      3.844912      2.128902
  H     -10.353586      5.356896      4.000171
  H      -8.272991      4.954967      5.251880
  H      -0.515243      1.705759      3.488205
  H      -2.226808      2.071543      3.279065
  H      -1.367968      0.221400      5.559065
  H      -2.661091     -1.481738      4.694062
  H      -3.647278      1.193283      0.114124
  H      -5.958421     -2.733260     -0.277198
  H      -6.260560     -4.760450      1.159113
  H      -5.109492     -4.896257      3.369855
  H      -3.699907     -3.055579      4.158679
  H      -2.588727     -0.905455      8.439839
  H      -3.593063     -0.297031      7.123464
  H      -3.892707      0.743229     10.010900
  H      -6.218429      0.814287      9.581417
  H      -5.872182     -2.406877      5.310056
  H      -9.825803     -0.165696      4.736960
  H     -10.893744      1.819042      5.824166
  H      -9.773496      2.937345      7.744941
  H      -7.621075      2.100578      8.602614
89
Coordinates from ORCA-job orca E -6144.690918240291
  N      -3.078646      4.323399      7.737027
  Mo     -2.581731      2.691460      6.763431
  N      -2.281886      1.126471      7.936347
  C      -0.983976      1.019656      8.609906
  C      -0.433156      2.418671      8.862107
  N      -0.653801      3.299597      7.668436
  C      -0.772600      4.735438      8.095875
  C      -2.172378      4.986692      8.649523
  C       0.417333      3.129502      6.635590
  C      -0.168706      3.465587      5.262839
  N      -1.453214      2.774160      5.117587
  H      -2.349403      6.078396      8.689976
  H      -2.277481      4.612199      9.689097
  H      -0.628704      5.348343      7.196726
  H       0.022115      4.977467      8.820332
  H       0.544441      3.153863      4.481187
  H      -0.292299      4.558610      5.156585
  H       0.718765      2.073159      6.648963
  H       1.294994      3.748985      6.892118
  H      -1.076235      0.503643      9.582638
  H      -0.273469      0.418875      8.004946
  H      -0.984172      2.871425      9.697463
  H       0.638561      2.403693      9.121474
  C      -4.521454      4.384251      7.837143
  C      -4.924632      3.432190      6.721379
  C      -5.925721      3.764112      5.840034
  C      -6.429164      2.920681      4.794850
  N      -5.735031      1.808672      4.471067
  C      -6.219235      1.051106      3.467027
  N      -7.290004      1.262882      2.715228
  C      -8.033207      2.363790      3.041733
  C      -9.223593      2.625395      2.318881
  C     -10.023679      3.700451      2.651143
  C      -9.664176      4.552763      3.717973
  C      -8.502216      4.322605      4.431007
  C      -7.655329      3.237988      4.105385
  C      -1.582836      1.804847      4.025675
  C      -1.838875      0.422211      4.556909
  C      -2.533915     -0.621351      4.038684
  C      -3.206209     -0.693941      2.753886
  N      -3.083545      0.336753      1.902634
  C      -3.765242      0.271961      0.739124
  N      -4.530014     -0.709492      0.292162
  C      -4.648787     -1.791115      1.119039
  C      -5.451364     -2.880251      0.698998
  C      -5.601785     -3.988184      1.505673
  C      -4.951485     -4.050795      2.758666
  C      -4.166406     -3.001164      3.193376
  C      -3.996286     -1.844123      2.392270
  C      -3.168156     -0.039524      8.087143
  C      -4.250181      0.316954      9.059065
  C      -5.579447      0.361348      8.818239
  C      -6.256886     -0.126049      7.616864
  N      -5.711825     -1.150156      6.947290
  C      -6.380899     -1.616786      5.867660
  N      -7.554881     -1.226890      5.406200
  C      -8.129034     -0.171544      6.058031
  C      -9.364334      0.332682      5.583794
  C      -9.939037      1.434388      6.181506
  C      -9.302840      2.070479      7.271359
  C      -8.103731      1.591743      7.761597
  C      -7.496655      0.452474      7.179463
  H      -4.917186      5.396825      7.622544
  H      -4.909753      4.083854      8.834895
  H      -4.758905      2.312890      6.821257
  H      -6.384957      4.747371      5.960197
  H      -5.644108      0.151396      3.238214
  H      -9.485497      1.942767      1.509123
  H     -10.942756      3.889175      2.093434
  H     -10.307584      5.393276      3.982505
  H      -8.249829      4.977426      5.265182
  H      -0.642332      1.773609      3.437432
  H      -2.367763      2.091625      3.310332
  H      -1.371135      0.243487      5.532387
  H      -2.597989     -1.510671      4.663515
  H      -3.664786      1.146975      0.090040
  H      -5.941686     -2.802863     -0.272088
  H      -6.225838     -4.821451      1.179182
  H      -5.072933     -4.932599      3.389357
  H      -3.675966     -3.075666      4.162715
  H      -2.591263     -0.917885      8.430359
  H      -3.607321     -0.316497      7.120457
  H      -3.891431      0.728035     10.008813
  H      -6.216771      0.816331      9.579330
  H      -5.886709     -2.428527      5.324175
  H      -9.815690     -0.157487      4.720637
  H     -10.877162      1.837196      5.796843
  H      -9.758059      2.955726      7.717944
  H      -7.613046      2.109528      8.586159
89
Coordinates from ORCA-job orca E -6144.691951440301
  N      -3.094115      4.324968      7.785507
  Mo     -2.623075      2.698087      6.784559
  N      -2.290819      1.120185      7.932176
  C      -0.979786      1.012862      8.580000
  C      -0.431501      2.411880      8.838210
  N      -0.674348      3.305557      7.658501
  C      -0.782357      4.737311      8.101840
  C      -2.171745      4.983612      8.685225
  C       0.376571      3.143409      6.602717
  C      -0.238989      3.487150      5.244106
  N      -1.523771      2.791578      5.119862
  H      -2.350146      6.074626      8.735729
  H      -2.255799      4.603140      9.724301
  H      -0.654691      5.357952      7.205637
  H       0.026636      4.971701      8.812794
  H       0.459427      3.182660      4.446597
  H      -0.367825      4.580367      5.147065
  H       0.680037      2.087708      6.602913
  H       1.258400      3.762355      6.845029
  H      -1.051718      0.485018      9.547948
  H      -0.277305      0.423415      7.955323
  H      -0.970541      2.853064      9.687376
  H       0.644434      2.398531      9.079697
  C      -4.537477      4.394433      7.891794
  C      -4.930387      3.437141      6.775065
  C      -5.907975      3.779235      5.866408
  C      -6.399145      2.934488      4.819712
  N      -5.705103      1.816942      4.510849
  C      -6.179753      1.055524      3.505675
  N      -7.236920      1.269993      2.735892
  C      -7.980073      2.376068      3.045346
  C      -9.157439      2.640586      2.302387
  C      -9.959114      3.719168      2.619167
  C      -9.614385      4.572160      3.690215
  C      -8.464695      4.339255      4.421891
  C      -7.615617      3.252281      4.111455
  C      -1.668096      1.831366      4.020599
  C      -1.853982      0.431247      4.536206
  C      -2.515597     -0.631852      4.015711
  C      -3.200559     -0.709832      2.737726
  N      -3.085957      0.318871      1.883168
  C      -3.775292      0.247545      0.724290
  N      -4.539497     -0.737147      0.285482
  C      -4.653367     -1.815025      1.117613
  C      -5.458374     -2.906153      0.707958
  C      -5.606677     -4.008053      1.522834
  C      -4.952843     -4.062525      2.774158
  C      -4.164099     -3.011561      3.198636
  C      -3.994112     -1.861390      2.387410
  C      -3.171008     -0.050574      8.089435
  C      -4.251179      0.302405      9.065157
  C      -5.580540      0.347107      8.824973
  C      -6.258055     -0.140165      7.622836
  N      -5.716322     -1.169987      6.959178
  C      -6.383223     -1.635639      5.877582
  N      -7.550322     -1.237473      5.407575
  C      -8.121299     -0.176870      6.053416
  C      -9.349605      0.335232      5.570560
  C      -9.921479      1.440421      6.164068
  C      -9.289322      2.072515      7.258551
  C      -8.096377      1.586959      7.756675
  C      -7.492342      0.444142      7.178468
  H      -4.929245      5.407801      7.673743
  H      -4.926793      4.099167      8.890200
  H      -4.807529      2.312975      6.910747
  H      -6.355613      4.769835      5.967372
  H      -5.608107      0.150174      3.290479
  H      -9.409030      1.956822      1.490350
  H     -10.868416      3.909398      2.046225
  H     -10.259478      5.414845      3.943342
  H      -8.223530      4.994060      5.259299
  H      -0.754356      1.839013      3.391195
  H      -2.489345      2.103436      3.341155
  H      -1.368652      0.261828      5.504464
  H      -2.538127     -1.530387      4.629880
  H      -3.680077      1.119992      0.071008
  H      -5.952987     -2.834630     -0.261358
  H      -6.232975     -4.842818      1.204680
  H      -5.074725     -4.939155      3.411865
  H      -3.672719     -3.078811      4.167742
  H      -2.586956     -0.924166      8.432093
  H      -3.612643     -0.332922      7.125597
  H      -3.891575      0.712522     10.014763
  H      -6.217649      0.802381      9.586004
  H      -5.893491     -2.454143      5.340321
  H      -9.797839     -0.152339      4.704349
  H     -10.854218      1.849187      5.772786
  H      -9.742078      2.960637      7.701763
  H      -7.607414      2.101822      8.583975
89
Coordinates from ORCA-job orca E -6144.693009561692
  N      -3.095564      4.334183      7.839489
  Mo     -2.668005      2.706925      6.804330
  N      -2.301449      1.121660      7.921708
  C      -0.976137      1.006709      8.536876
  C      -0.426181      2.403798      8.801019
  N      -0.692034      3.314081      7.637776
  C      -0.778934      4.740307      8.096180
  C      -2.151737      4.987723      8.718423
  C       0.336478      3.152868      6.556501
  C      -0.314730      3.500585      5.215870
  N      -1.603649      2.805975      5.121876
  H      -2.333788      6.077259      8.780540
  H      -2.205473      4.600336      9.756810
  H      -0.669513      5.366309      7.200953
  H       0.049741      4.965158      8.787575
  H       0.361637      3.197584      4.399589
  H      -0.445963      4.594480      5.127136
  H       0.635878      2.096002      6.545840
  H       1.224666      3.767103      6.784914
  H      -1.026103      0.466480      9.499160
  H      -0.287426      0.427262      7.888152
  H      -0.950129      2.832814      9.665534
  H       0.654881      2.390407      9.020108
  C      -4.538928      4.416387      7.966252
  C      -4.933682      3.456013      6.850328
  C      -5.892247      3.808151      5.918736
  C      -6.366851      2.964018      4.870464
  N      -5.668488      1.843496      4.580562
  C      -6.127038      1.071621      3.577301
  N      -7.167150      1.283921      2.785256
  C      -7.914564      2.395205      3.066624
  C      -9.072057      2.657309      2.291965
  C      -9.879475      3.739895      2.582081
  C      -9.560097      4.598095      3.656933
  C      -8.429027      4.367452      4.418422
  C      -7.572790      3.278536      4.135332
  C      -1.759096      1.844493      4.020926
  C      -1.860214      0.433336      4.530361
  C      -2.486846     -0.645606      4.000745
  C      -3.191337     -0.721894      2.734307
  N      -3.097741      0.311380      1.882308
  C      -3.803483      0.236995      0.732671
  N      -4.569950     -0.748129      0.303352
  C      -4.669819     -1.828934      1.134503
  C      -5.480331     -2.920727      0.738226
  C      -5.612218     -4.022277      1.556206
  C      -4.938292     -4.077072      2.796153
  C      -4.142792     -3.026219      3.209100
  C      -3.988222     -1.876946      2.392917
  C      -3.185038     -0.049085      8.083391
  C      -4.265364      0.296547      9.061698
  C      -5.593861      0.335584      8.813574
  C      -6.268301     -0.159317      7.609940
  N      -5.723945     -1.194338      6.956515
  C      -6.387505     -1.667408      5.873931
  N      -7.548858     -1.269150      5.395957
  C      -8.124159     -0.203749      6.030084
  C      -9.346806      0.309135      5.537043
  C      -9.919959      1.417828      6.122862
  C      -9.295308      2.053070      7.219929
  C      -8.106271      1.567849      7.727503
  C      -7.500515      0.421717      7.156519
  H      -4.924660      5.434028      7.754926
  H      -4.920108      4.126464      8.968621
  H      -4.861246      2.332201      7.006735
  H      -6.333498      4.803104      6.003680
  H      -5.557970      0.159827      3.379962
  H      -9.304194      1.968681      1.477928
  H     -10.773913      3.928666      1.985264
  H     -10.210925      5.442859      3.889299
  H      -8.208103      5.028184      5.256850
  H      -0.880934      1.895397      3.346018
  H      -2.620833      2.091533      3.383896
  H      -1.353605      0.279795      5.489023
  H      -2.460868     -1.555585      4.599944
  H      -3.718196      1.110405      0.077016
  H      -5.992393     -2.850307     -0.222363
  H      -6.243032     -4.858421      1.249372
  H      -5.051182     -4.955151      3.434055
  H      -3.636634     -3.088842      4.171219
  H      -2.598216     -0.921514      8.425253
  H      -3.625998     -0.335386      7.119646
  H      -3.913629      0.703008     10.015578
  H      -6.239118      0.788849      9.569504
  H      -5.899077     -2.490421      5.342320
  H      -9.790236     -0.179865      4.668900
  H     -10.849415      1.826487      5.723046
  H      -9.749076      2.944477      7.655941
  H      -7.616981      2.082842      8.554303
89
Coordinates from ORCA-job orca E -6144.694130611251
  N      -3.105196      4.340820      7.888892
  Mo     -2.709427      2.720367      6.824376
  N      -2.316884      1.119175      7.911750
  C      -0.980377      0.997712      8.500602
  C      -0.426053      2.390514      8.774391
  N      -0.711872      3.314394      7.627020
  C      -0.783533      4.735073      8.103274
  C      -2.142688      4.982590      8.754290
  C       0.292922      3.161819      6.523708
  C      -0.383987      3.521181      5.198933
  N      -1.675517      2.826811      5.122028
  H      -2.319698      6.072316      8.828376
  H      -2.175334      4.586346      9.790767
  H      -0.688981      5.372059      7.213904
  H       0.059870      4.946738      8.781257
  H       0.277216      3.227117      4.367206
  H      -0.518732      4.616001      5.123472
  H       0.591634      2.104759      6.499382
  H       1.185446      3.774759      6.739288
  H      -1.011673      0.443628      9.455733
  H      -0.303457      0.428435      7.829870
  H      -0.935646      2.807997      9.653173
  H       0.658591      2.373974      8.975255
  C      -4.547443      4.436767      8.024272
  C      -4.935781      3.474627      6.907625
  C      -5.868713      3.839156      5.950225
  C      -6.324366      2.989157      4.901842
  N      -5.617616      1.866024      4.632779
  C      -6.059073      1.082110      3.631812
  N      -7.085250      1.283535      2.817472
  C      -7.839634      2.396730      3.075859
  C      -8.984121      2.648749      2.279477
  C      -9.801309      3.730437      2.547520
  C      -9.505033      4.597191      3.621596
  C      -8.385894      4.376715      4.404978
  C      -7.519903      3.290407      4.143581
  C      -1.848551      1.875864      4.013985
  C      -1.880778      0.453882      4.503454
  C      -2.475176     -0.641587      3.972439
  C      -3.199010     -0.726499      2.716464
  N      -3.119064      0.303037      1.861648
  C      -3.834829      0.221283      0.717466
  N      -4.598745     -0.770304      0.299227
  C      -4.686849     -1.847055      1.136767
  C      -5.496201     -2.944412      0.752773
  C      -5.617244     -4.041488      1.578632
  C      -4.933368     -4.085828      2.814045
  C      -4.138169     -3.029919      3.213888
  C      -3.993733     -1.885501      2.389210
  C      -3.194421     -0.055873      8.079622
  C      -4.273441      0.282742      9.061778
  C      -5.602659      0.317166      8.817231
  C      -6.277234     -0.178133      7.613967
  N      -5.735609     -1.217592      6.966059
  C      -6.397586     -1.689282      5.881512
  N      -7.553414     -1.282588      5.395136
  C      -8.124821     -0.211754      6.024342
  C      -9.339231      0.311533      5.521061
  C      -9.907506      1.425445      6.102749
  C      -9.286795      2.054691      7.205450
  C      -8.105597      1.559882      7.722303
  C      -7.504091      0.409344      7.155004
  H      -4.927735      5.456165      7.811366
  H      -4.927954      4.147984      9.026927
  H      -4.909759      2.351173      7.098886
  H      -6.298252      4.841236      6.015703
  H      -5.485162      0.168881      3.456220
  H      -9.199414      1.952842      1.466903
  H     -10.685901      3.910982      1.933567
  H     -10.163735      5.440529      3.836578
  H      -8.182344      5.043398      5.243564
  H      -1.006808      1.968580      3.298940
  H      -2.746321      2.104689      3.421082
  H      -1.354931      0.309921      5.452977
  H      -2.404724     -1.557911      4.559095
  H      -3.760314      1.092288      0.058913
  H      -6.016551     -2.881713     -0.203894
  H      -6.247279     -4.881943      1.282010
  H      -5.039096     -4.959939      3.458696
  H      -3.625656     -3.083700      4.173337
  H      -2.599914     -0.922904      8.421212
  H      -3.637009     -0.346852      7.118083
  H      -3.919931      0.688813     10.015374
  H      -6.248693      0.766654      9.575131
  H      -5.912351     -2.518094      5.355567
  H      -9.779786     -0.173164      4.649052
  H     -10.829856      1.842570      5.695198
  H      -9.736827      2.949786      7.637862
  H      -7.618264      2.070987      8.552724
89
Coordinates from ORCA-job orca E -6144.695480907348
  N      -3.101222      4.357704      7.949706
  Mo     -2.753322      2.749941      6.841808
  N      -2.345507      1.124293      7.885977
  C      -0.998528      0.981051      8.442904
  C      -0.426342      2.361192      8.734687
  N      -0.730773      3.305578      7.610056
  C      -0.774256      4.716038      8.113200
  C      -2.111613      4.971214      8.799156
  C       0.242115      3.163197      6.481683
  C      -0.458743      3.546924      5.177945
  N      -1.758581      2.862334      5.114397
  H      -2.271982      6.062160      8.893798
  H      -2.119393      4.556707      9.830618
  H      -0.694826      5.371779      7.235522
  H       0.088768      4.901334      8.774874
  H       0.183408      3.265914      4.327205
  H      -0.592713      4.643888      5.126447
  H       0.532813      2.103910      6.437893
  H       1.142331      3.769531      6.686838
  H      -1.012121      0.406313      9.386200
  H      -0.341654      0.421375      7.742277
  H      -0.914853      2.764887      9.632035
  H       0.662039      2.331617      8.912872
  C      -4.536418      4.478619      8.106815
  C      -4.937697      3.528516      6.988935
  C      -5.849514      3.914790      6.014761
  C      -6.269994      3.053431      4.965861
  N      -5.535774      1.934718      4.731913
  C      -5.938987      1.124358      3.737616
  N      -6.943740      1.291515      2.886185
  C      -7.720061      2.400622      3.103993
  C      -8.843517      2.621090      2.271333
  C      -9.687402      3.693275      2.498182
  C      -9.439227      4.580339      3.566359
  C      -8.339391      4.391615      4.388232
  C      -7.447900      3.317501      4.167965
  C      -1.954801      1.925580      3.997994
  C      -1.909793      0.495046      4.463763
  C      -2.469805     -0.618926      3.935820
  C      -3.227111     -0.723350      2.699019
  N      -3.186720      0.303450      1.845054
  C      -3.924599      0.209570      0.713574
  N      -4.678222     -0.798304      0.315198
  C      -4.727721     -1.873408      1.158051
  C      -5.526343     -2.986060      0.793940
  C      -5.606997     -4.084222      1.624318
  C      -4.891028     -4.113380      2.843135
  C      -4.106402     -3.042175      3.221314
  C      -4.003679     -1.896307      2.393245
  C      -3.219563     -0.053101      8.053406
  C      -4.298954      0.269283      9.039696
  C      -5.629618      0.289298      8.803034
  C      -6.304300     -0.208584      7.602103
  N      -5.762947     -1.249396      6.958411
  C      -6.424579     -1.720588      5.872694
  N      -7.578412     -1.307935      5.380320
  C      -8.145772     -0.231870      6.006088
  C      -9.350310      0.304617      5.490142
  C      -9.910912      1.426351      6.067150
  C      -9.294424      2.047471      7.176479
  C      -8.123342      1.540005      7.704613
  C      -7.527247      0.384195      7.140816
  H      -4.905746      5.504150      7.904503
  H      -4.907814      4.180992      9.110274
  H      -4.961894      2.410767      7.194831
  H      -6.272071      4.921763      6.066541
  H      -5.345775      0.216840      3.604011
  H      -9.022170      1.908877      1.463931
  H     -10.555823      3.849654      1.854999
  H     -10.118512      5.415310      3.747553
  H      -8.171523      5.074181      5.222940
  H      -1.162272      2.072530      3.238579
  H      -2.895774      2.131434      3.466103
  H      -1.352997      0.363414      5.397103
  H      -2.341409     -1.539901      4.507464
  H      -3.879472      1.079366      0.054269
  H      -6.070911     -2.934923     -0.149763
  H      -6.228303     -4.936777      1.344297
  H      -4.964855     -4.988374      3.491162
  H      -3.568931     -3.083858      4.168331
  H      -2.618687     -0.917005      8.391186
  H      -3.661546     -0.342764      7.091356
  H      -3.943965      0.673648      9.994065
  H      -6.279043      0.726362      9.566124
  H      -5.939673     -2.552926      5.351193
  H      -9.788322     -0.173426      4.613325
  H     -10.823806      1.854709      5.650041
  H      -9.739060      2.947566      7.604128
  H      -7.637669      2.046358      8.539102
89
Coordinates from ORCA-job orca E -6144.696981562651
  N      -3.098070      4.370905      8.009296
  Mo     -2.803611      2.776548      6.857383
  N      -2.378326      1.126911      7.855597
  C      -1.018809      0.962726      8.376991
  C      -0.427773      2.330879      8.685379
  N      -0.752451      3.298217      7.586721
  C      -0.765549      4.698071      8.116994
  C      -2.080069      4.956570      8.841719
  C       0.186851      3.166760      6.430953
  C      -0.541285      3.576076      5.151497
  N      -1.849603      2.900913      5.106705
  H      -2.224342      6.047491      8.959791
  H      -2.062346      4.522141      9.865777
  H      -0.702552      5.371835      7.251488
  H       0.117641      4.858099      8.758635
  H       0.078043      3.306536      4.280594
  H      -0.672333      4.674183      5.122925
  H       0.468248      2.105887      6.364645
  H       1.096001      3.764478      6.623213
  H      -1.013526      0.367100      9.307189
  H      -0.383797      0.413973      7.647209
  H      -0.891970      2.719687      9.602135
  H       0.664103      2.288864      8.837230
  C      -4.526196      4.515753      8.194979
  C      -4.943688      3.576581      7.076529
  C      -5.834834      3.984610      6.085326
  C      -6.219411      3.111944      5.037393
  N      -5.459883      1.997153      4.841732
  C      -5.825884      1.161298      3.856037
  N      -6.803474      1.297599      2.966684
  C      -7.597641      2.403640      3.139362
  C      -8.693786      2.596676      2.266411
  C      -9.559421      3.661353      2.447397
  C      -9.360307      4.567068      3.508722
  C      -8.286221      4.405698      4.371969
  C      -7.374445      3.341360      4.197691
  C      -2.066410      1.971934      3.986950
  C      -1.936945      0.538085      4.429350
  C      -2.459235     -0.594377      3.904134
  C      -3.251845     -0.718056      2.689640
  N      -3.260957      0.311038      1.842033
  C      -4.029208      0.206459      0.730751
  N      -4.770318     -0.818294      0.351832
  C      -4.770715     -1.895848      1.192973
  C      -5.557271     -3.023722      0.849233
  C      -5.590472     -4.125471      1.678766
  C      -4.837287     -4.141783      2.875925
  C      -4.064396     -3.055137      3.232661
  C      -4.009244     -1.906026      2.405149
  C      -3.249650     -0.053192      8.020990
  C      -4.326738      0.253346      9.014127
  C      -5.658288      0.259767      8.785762
  C      -6.332250     -0.239063      7.585303
  N      -5.791574     -1.281604      6.945668
  C      -6.452099     -1.752673      5.858546
  N      -7.601638     -1.333104      5.358713
  C      -8.163697     -0.250708      5.979320
  C      -9.356340      0.299456      5.448836
  C      -9.909401      1.429106      6.019076
  C      -9.299001      2.042476      7.135787
  C      -8.139986      1.521905      7.677467
  C      -7.549520      0.360332      7.118990
  H      -4.884460      5.547314      8.005472
  H      -4.884505      4.210233      9.200692
  H      -5.012934      2.467242      7.298547
  H      -6.250224      4.995308      6.124411
  H      -5.217622      0.259564      3.764184
  H      -8.835200      1.869662      1.464816
  H     -10.406967      3.796644      1.772343
  H     -10.055954      5.395703      3.652970
  H      -8.153866      5.103016      5.201407
  H      -1.328543      2.171831      3.186935
  H      -3.046943      2.145446      3.518733
  H      -1.347775      0.422200      5.344867
  H      -2.270992     -1.516533      4.457753
  H      -4.024977      1.080133      0.077690
  H      -6.131340     -2.981713     -0.077164
  H      -6.202312     -4.989961      1.415339
  H      -4.874275     -5.019262      3.523683
  H      -3.499203     -3.086381      4.164079
  H      -2.643225     -0.915940      8.351323
  H      -3.693760     -0.338849      7.058925
  H      -3.970007      0.655731      9.968964
  H      -6.310078      0.683964      9.554396
  H      -5.968062     -2.589296      5.342805
  H      -9.790506     -0.172353      4.566877
  H     -10.811529      1.868739      5.590487
  H      -9.738102      2.947973      7.557631
  H      -7.657638      2.023656      8.516824
89
Coordinates from ORCA-job orca E -6144.698797686803
  N      -3.084650      4.384165      8.065466
  Mo     -2.858520      2.810087      6.859658
  N      -2.428496      1.130295      7.805449
  C      -1.055231      0.933747      8.288649
  C      -0.432392      2.284769      8.617658
  N      -0.772558      3.281999      7.551817
  C      -0.744895      4.668119      8.115900
  C      -2.032869      4.929876      8.882058
  C       0.131420      3.162375      6.367925
  C      -0.616990      3.607133      5.116597
  N      -1.939636      2.950474      5.088170
  H      -2.150764      6.019699      9.032195
  H      -1.993955      4.467511      9.893573
  H      -0.695150      5.364225      7.267607
  H       0.159009      4.794266      8.735214
  H      -0.023774      3.346522      4.225365
  H      -0.737148      4.705484      5.113723
  H       0.396135      2.099680      6.271701
  H       1.053542      3.743664      6.549415
  H      -1.035366      0.313820      9.202248
  H      -0.448012      0.394433      7.529596
  H      -0.865762      2.658409      9.555441
  H       0.661802      2.221842      8.739532
  C      -4.498557      4.561546      8.299937
  C      -4.960316      3.647326      7.181864
  C      -5.844651      4.085782      6.186830
  C      -6.170578      3.194278      5.143659
  N      -5.357385      2.099258      5.006762
  C      -5.654002      1.225371      4.034694
  N      -6.585872      1.304193      3.091499
  C      -7.420295      2.390958      3.195572
  C      -8.471594      2.529998      2.262660
  C      -9.380323      3.569118      2.373388
  C      -9.269029      4.500666      3.422435
  C      -8.238251      4.392064      4.346851
  C      -7.286762      3.356483      4.242976
  C      -2.171605      2.028087      3.965854
  C      -1.963884      0.596627      4.388564
  C      -2.453238     -0.552560      3.870760
  C      -3.290828     -0.697258      2.686774
  N      -3.377486      0.343396      1.858904
  C      -4.196539      0.231896      0.785618
  N      -4.916358     -0.816380      0.427232
  C      -4.836243     -1.904648      1.250991
  C      -5.602411     -3.052263      0.928618
  C      -5.563650     -4.165356      1.743529
  C      -4.755978     -4.170402      2.905299
  C      -4.002956     -3.063027      3.238954
  C      -4.019103     -1.904478      2.424871
  C      -3.302591     -0.048256      7.964400
  C      -4.371324      0.242573      8.969663
  C      -5.703313      0.234617      8.756862
  C      -6.377937     -0.263990      7.557176
  N      -5.838703     -1.304964      6.915989
  C      -6.501732     -1.777297      5.830523
  N      -7.650896     -1.355554      5.330866
  C      -8.204439     -0.268167      5.950298
  C      -9.387032      0.293287      5.408134
  C      -9.930739      1.431543      5.969650
  C      -9.323215      2.039761      7.090430
  C      -8.175573      1.507934      7.643324
  C      -7.591604      0.340828      7.090737
  H      -4.837576      5.603123      8.137754
  H      -4.830932      4.238888      9.309026
  H      -5.058889      2.552662      7.396454
  H      -6.261596      5.094335      6.222803
  H      -5.009954      0.347444      4.002078
  H      -8.545967      1.782799      1.470822
  H     -10.193790      3.663289      1.651398
  H      -9.996688      5.309089      3.510812
  H      -8.168342      5.109192      5.166990
  H      -1.484879      2.283836      3.138594
  H      -3.185057      2.164791      3.561914
  H      -1.337190      0.495523      5.281826
  H      -2.208253     -1.472691      4.403733
  H      -4.264689      1.120505      0.157648
  H      -6.220918     -3.016348      0.031343
  H      -6.160285     -5.044865      1.497038
  H      -4.736316     -5.054931      3.543639
  H      -3.397854     -3.085429      4.145641
  H      -2.696417     -0.916864      8.279387
  H      -3.755232     -0.320314      7.002059
  H      -4.008397      0.641116      9.923867
  H      -6.353301      0.641780      9.535616
  H      -6.016071     -2.614356      5.317893
  H      -9.820485     -0.174167      4.523838
  H     -10.823135      1.880604      5.531020
  H      -9.755632      2.950973      7.506349
  H      -7.697100      2.008931      8.485620
89
Coordinates from ORCA-job orca E -6144.700233654829
  N      -3.066667      4.392458      8.121785
  Mo     -2.911174      2.838776      6.866996
  N      -2.476885      1.131434      7.759035
  C      -1.092453      0.907422      8.203220
  C      -0.444163      2.243298      8.550121
  N      -0.794884      3.269199      7.516858
  C      -0.722587      4.642346      8.107971
  C      -1.982617      4.906033      8.917694
  C       0.076670      3.157388      6.306462
  C      -0.695973      3.631761      5.083543
  N      -2.025583      2.987432      5.079293
  H      -2.078079      5.993979      9.093434
  H      -1.922573      4.423548      9.917802
  H      -0.683795      5.354753      7.273211
  H       0.201198      4.738514      8.701961
  H      -0.128772      3.377094      4.174039
  H      -0.805896      4.729811      5.098672
  H       0.325005      2.094147      6.183853
  H       1.011447      3.722106      6.472904
  H      -1.058990      0.263368      9.099078
  H      -0.510233      0.381629      7.417705
  H      -0.849555      2.601523      9.505892
  H       0.651461      2.163165      8.643890
  C      -4.467185      4.600792      8.399838
  C      -4.964000      3.704348      7.283688
  C      -5.834813      4.166172      6.275090
  C      -6.115972      3.263073      5.237630
  N      -5.265553      2.183531      5.142044
  C      -5.517065      1.283861      4.182266
  N      -6.417281      1.326561      3.208828
  C      -7.277636      2.397574      3.262741
  C      -8.297147      2.500919      2.291546
  C      -9.232472      3.520547      2.355600
  C      -9.180503      4.466260      3.395321
  C      -8.181079      4.391183      4.356483
  C      -7.203934      3.378416      4.297983
  C      -2.271997      2.069544      3.955393
  C      -1.974146      0.644009      4.346715
  C      -2.424544     -0.520453      3.832319
  C      -3.311105     -0.682664      2.686480
  N      -3.475353      0.366992      1.879720
  C      -4.347284      0.240560      0.852854
  N      -5.046062     -0.828851      0.515834
  C      -4.887871     -1.923151      1.319826
  C      -5.632832     -3.091075      1.024259
  C      -5.522058     -4.208788      1.825893
  C      -4.661521     -4.197655      2.948815
  C      -3.926631     -3.070470      3.255264
  C      -4.014368     -1.908830      2.450984
  C      -3.359327     -0.042288      7.908837
  C      -4.422737      0.244928      8.920692
  C      -5.754062      0.231074      8.712261
  C      -6.424904     -0.275275      7.511981
  N      -5.882895     -1.319329      6.878348
  C      -6.540916     -1.800555      5.793332
  N      -7.685964     -1.382586      5.286214
  C      -8.240065     -0.290442      5.895724
  C      -9.415041      0.271023      5.338598
  C      -9.959678      1.414702      5.885404
  C      -9.361775      2.028209      7.008543
  C      -8.221895      1.497002      7.575857
  C      -7.635794      0.326145      7.035751
  H      -4.785391      5.651397      8.258917
  H      -4.779101      4.272177      9.412951
  H      -5.098788      2.623450      7.509648
  H      -6.247017      5.174674      6.301581
  H      -4.853642      0.420682      4.185874
  H      -8.327509      1.742135      1.507922
  H     -10.021467      3.586879      1.604221
  H      -9.928495      5.258894      3.448514
  H      -8.152592      5.117853      5.170124
  H      -1.637854      2.372825      3.103777
  H      -3.308927      2.166046      3.606214
  H      -1.312053      0.561005      5.215799
  H      -2.115501     -1.436400      4.336812
  H      -4.486490      1.139345      0.250777
  H      -6.295578     -3.066367      0.158873
  H      -6.103608     -5.103616      1.600198
  H      -4.586530     -5.084932      3.578817
  H      -3.281931     -3.078961      4.134636
  H      -2.757540     -0.917703      8.213023
  H      -3.817806     -0.304304      6.945915
  H      -4.057486      0.640637      9.874764
  H      -6.404318      0.633465      9.492469
  H      -6.052055     -2.640970      5.290317
  H      -9.842152     -0.200719      4.453596
  H     -10.845635      1.863650      5.434089
  H      -9.794946      2.943576      7.414016
  H      -7.751223      2.003585      8.419053
89
Coordinates from ORCA-job orca E -6144.701046763343
  N      -3.010388      4.421395      8.121829
  Mo     -2.927458      2.857615      6.861882
  N      -2.523455      1.135016      7.745082
  C      -1.135693      0.884292      8.173533
  C      -0.459885      2.212305      8.510858
  N      -0.785328      3.253015      7.489156
  C      -0.654130      4.630171      8.076706
  C      -1.900186      4.914860      8.911365
  C       0.086000      3.106641      6.267573
  C      -0.692163      3.593242      5.056769
  N      -2.026009      2.979521      5.080836
  H      -1.971434      6.002869      9.093400
  H      -1.852679      4.437678      9.906803
  H      -0.596681      5.327287      7.232727
  H       0.277122      4.707724      8.657441
  H      -0.143998      3.306257      4.145268
  H      -0.769784      4.690668      5.050004
  H       0.303670      2.041109      6.138137
  H       1.041467      3.634768      6.417417
  H      -1.112768      0.236069      9.065460
  H      -0.568710      0.352845      7.391690
  H      -0.843819      2.583457      9.468676
  H       0.634518      2.106462      8.590105
  C      -4.401170      4.672441      8.439116
  C      -4.954049      3.780581      7.333640
  C      -5.822615      4.253265      6.308207
  C      -6.121368      3.339824      5.298823
  N      -5.285844      2.241652      5.226665
  C      -5.571146      1.320877      4.295141
  N      -6.482903      1.377479      3.347817
  C      -7.325126      2.462132      3.364992
  C      -8.356798      2.566816      2.400993
  C      -9.265227      3.608065      2.454520
  C      -9.177141      4.574338      3.475711
  C      -8.169399      4.488560      4.415850
  C      -7.216569      3.454998      4.365897
  C      -2.266256      2.053940      3.955853
  C      -1.917005      0.637498      4.329274
  C      -2.348000     -0.527539      3.810609
  C      -3.268600     -0.664809      2.694928
  N      -3.483545      0.408794      1.898336
  C      -4.404843      0.265783      0.928658
  N      -5.099707     -0.808365      0.605929
  C      -4.896625     -1.910727      1.388314
  C      -5.634619     -3.087446      1.124644
  C      -5.482384     -4.201666      1.919834
  C      -4.587370     -4.185381      3.011001
  C      -3.849494     -3.052421      3.291516
  C      -3.979826     -1.897870      2.482797
  C      -3.433866     -0.019850      7.890674
  C      -4.493421      0.294836      8.901938
  C      -5.819793      0.275914      8.671046
  C      -6.452878     -0.276740      7.460601
  N      -5.872551     -1.327443      6.864508
  C      -6.485073     -1.859512      5.777456
  N      -7.618963     -1.496592      5.240872
  C      -8.221267     -0.408610      5.802917
  C      -9.399528      0.090570      5.207283
  C      -9.997194      1.225993      5.696236
  C      -9.446821      1.902221      6.809316
  C      -8.303038      1.433600      7.416523
  C      -7.667399      0.269431      6.931336
  H      -4.678975      5.735769      8.310335
  H      -4.697869      4.371930      9.463047
  H      -5.114165      2.709614      7.581546
  H      -6.208381      5.263960      6.318879
  H      -4.936428      0.432477      4.298314
  H      -8.420110      1.793004      1.634569
  H     -10.062219      3.674823      1.712650
  H      -9.904234      5.386030      3.527733
  H      -8.107121      5.223826      5.215134
  H      -1.624990      2.357082      3.109475
  H      -3.294531      2.129682      3.588802
  H      -1.246350      0.555398      5.188403
  H      -2.017408     -1.444333      4.292107
  H      -4.603247      1.181770      0.347652
  H      -6.331238     -3.068421      0.285962
  H      -6.063756     -5.101431      1.714850
  H      -4.483085     -5.070037      3.639618
  H      -3.177312     -3.049346      4.149843
  H      -2.848069     -0.906801      8.192909
  H      -3.902727     -0.283943      6.929234
  H      -4.138674      0.696536      9.854425
  H      -6.481991      0.688517      9.432027
  H      -5.963439     -2.695694      5.305160
  H      -9.788303     -0.430836      4.332309
  H     -10.889226      1.624097      5.211369
  H      -9.919473      2.814422      7.174553
  H      -7.871667      1.986500      8.249877
89
Coordinates from ORCA-job orca E -6144.705338035427
  N      -2.987788      4.458996      8.114632
  Mo     -2.931109      2.886170      6.857317
  N      -2.535664      1.158667      7.736881
  C      -1.152899      0.894291      8.169239
  C      -0.462616      2.206596      8.518056
  N      -0.775391      3.249136      7.493422
  C      -0.633063      4.620998      8.078234
  C      -1.873777      4.933739      8.900653
  C       0.093579      3.101331      6.280456
  C      -0.673756      3.604662      5.069752
  N      -2.022544      3.008137      5.075774
  H      -1.929624      6.024434      9.075547
  H      -1.831311      4.455178      9.900896
  H      -0.567943      5.321080      7.235127
  H       0.299603      4.682409      8.662452
  H      -0.124459      3.326543      4.156243
  H      -0.744140      4.705787      5.081270
  H       0.303710      2.031457      6.152062
  H       1.051338      3.625440      6.442878
  H      -1.138701      0.243230      9.060174
  H      -0.589549      0.356699      7.380699
  H      -0.849703      2.576412      9.476752
  H       0.630386      2.085667      8.604837
  C      -4.371630      4.738513      8.430262
  C      -4.930813      3.835739      7.344594
  C      -5.802287      4.282150      6.310265
  C      -6.086669      3.343325      5.313355
  N      -5.230106      2.256742      5.251192
  C      -5.504338      1.303939      4.345185
  N      -6.422552      1.311750      3.394636
  C      -7.278924      2.388349      3.394330
  C      -8.311234      2.452488      2.430363
  C      -9.240295      3.480221      2.459744
  C      -9.172078      4.471343      3.457990
  C      -8.161318      4.429619      4.406054
  C      -7.187477      3.411522      4.378544
  C      -2.256293      2.073148      3.958217
  C      -1.899816      0.658479      4.332630
  C      -2.338655     -0.507225      3.810098
  C      -3.274277     -0.646034      2.700633
  N      -3.482029      0.423061      1.916011
  C      -4.411695      0.305865      0.942967
  N      -5.118828     -0.759974      0.613907
  C      -4.920142     -1.868098      1.388639
  C      -5.673711     -3.035649      1.115269
  C      -5.530196     -4.158662      1.902127
  C      -4.628570     -4.158853      2.991303
  C      -3.878628     -3.035436      3.278978
  C      -3.997312     -1.869314      2.482768
  C      -3.436403     -0.004870      7.876218
  C      -4.516664      0.287642      8.871394
  C      -5.844360      0.237245      8.642656
  C      -6.480084     -0.312746      7.437207
  N      -5.902795     -1.358726      6.836654
  C      -6.528507     -1.884390      5.751443
  N      -7.672355     -1.510582      5.219678
  C      -8.264609     -0.417424      5.789392
  C      -9.441699      0.102190      5.199792
  C     -10.020706      1.247897      5.700366
  C      -9.455797      1.908510      6.816192
  C      -8.315364      1.417956      7.417713
  C      -7.694825      0.246519      6.920674
  H      -4.641961      5.802415      8.287636
  H      -4.664161      4.444154      9.458059
  H      -5.109637      2.774053      7.618614
  H      -6.206530      5.292181      6.306911
  H      -4.850170      0.430654      4.375605
  H      -8.359343      1.659006      1.682178
  H     -10.038724      3.515067      1.715853
  H      -9.916278      5.269359      3.488412
  H      -8.114711      5.187365      5.189463
  H      -1.646418      2.393361      3.095454
  H      -3.297299      2.133794      3.624501
  H      -1.219811      0.577066      5.186122
  H      -2.002370     -1.428331      4.286335
  H      -4.598807      1.223191      0.373160
  H      -6.373586     -3.003399      0.278998
  H      -6.121689     -5.051519      1.692198
  H      -4.531252     -5.050693      3.612351
  H      -3.203786     -3.049228      4.134740
  H      -2.843232     -0.881339      8.194619
  H      -3.880778     -0.275318      6.908252
  H      -4.174833      0.703479      9.824914
  H      -6.514967      0.635590      9.407086
  H      -6.008642     -2.720698      5.272547
  H      -9.842581     -0.407157      4.322665
  H     -10.908611      1.663449      5.220966
  H      -9.914387      2.825897      7.188608
  H      -7.872170      1.958808      8.254233
89
Coordinates from ORCA-job orca E -6144.707158064339
  N      -2.967448      4.460026      8.145428
  Mo     -2.959767      2.910429      6.848001
  N      -2.567294      1.160209      7.679709
  C      -1.186124      0.869734      8.097934
  C      -0.479947      2.163102      8.478452
  N      -0.782907      3.234437      7.481012
  C      -0.612236      4.588346      8.090441
  C      -1.838237      4.901811      8.927347
  C       0.078906      3.105649      6.263919
  C      -0.694182      3.647911      5.070685
  N      -2.048228      3.059689      5.069482
  H      -1.880079      5.989513      9.124930
  H      -1.794887      4.402702      9.918808
  H      -0.544571      5.303660      7.260175
  H       0.327345      4.623594      8.666709
  H      -0.153437      3.388945      4.146618
  H      -0.755515      4.749633      5.110734
  H       0.279708      2.037529      6.107165
  H       1.043134      3.615455      6.435926
  H      -1.177133      0.195591      8.971808
  H      -0.631921      0.344927      7.292585
  H      -0.859214      2.511468      9.448730
  H       0.611818      2.025187      8.558954
  C      -4.338728      4.759563      8.498500
  C      -4.934476      3.875537      7.422622
  C      -5.811841      4.323013      6.392663
  C      -6.033353      3.377001      5.393595
  N      -5.116962      2.332642      5.364297
  C      -5.315037      1.353261      4.464741
  N      -6.207094      1.304326      3.491278
  C      -7.112672      2.342403      3.446411
  C      -8.109794      2.347051      2.445714
  C      -9.086166      3.331539      2.427557
  C      -9.102790      4.334741      3.415479
  C      -8.126296      4.351895      4.401561
  C      -7.103987      3.381514      4.420270
  C      -2.281975      2.137277      3.939657
  C      -1.880993      0.723165      4.271893
  C      -2.317501     -0.449044      3.751620
  C      -3.311590     -0.611765      2.694790
  N      -3.599243      0.450501      1.934068
  C      -4.581998      0.310986      1.016352
  N      -5.264552     -0.775699      0.708772
  C      -4.983335     -1.882154      1.456890
  C      -5.704336     -3.075535      1.205582
  C      -5.479397     -4.199722      1.970926
  C      -4.525666     -4.176085      3.014321
  C      -3.804235     -3.028296      3.278230
  C      -4.005246     -1.858046      2.503468
  C      -3.479539      0.004260      7.786865
  C      -4.561379      0.296739      8.779436
  C      -5.890784      0.250018      8.556795
  C      -6.543208     -0.290267      7.358132
  N      -5.984381     -1.337481      6.745097
  C      -6.640087     -1.857178      5.673571
  N      -7.800017     -1.479938      5.173619
  C      -8.373276     -0.383767      5.757640
  C      -9.567057      0.141777      5.206100
  C     -10.121538      1.294133      5.722361
  C      -9.515301      1.955011      6.816019
  C      -8.359751      1.456696      7.382376
  C      -7.764983      0.278018      6.869846
  H      -4.591580      5.830830      8.377620
  H      -4.611286      4.459066      9.530897
  H      -5.120800      2.817767      7.699164
  H      -6.241505      5.324204      6.388892
  H      -4.618676      0.512955      4.525853
  H      -8.094323      1.543570      1.707024
  H      -9.857206      3.319223      1.654645
  H      -9.885790      5.095065      3.409244
  H      -8.144337      5.118544      5.178219
  H      -1.701046      2.487819      3.068283
  H      -3.330112      2.180639      3.627526
  H      -1.164952      0.643651      5.094772
  H      -1.930890     -1.365322      4.198676
  H      -4.831322      1.223293      0.469825
  H      -6.445607     -3.062138      0.405341
  H      -6.045878     -5.112694      1.779604
  H      -4.363893     -5.070131      3.618700
  H      -3.087259     -3.026776      4.097623
  H      -2.902532     -0.886767      8.094079
  H      -3.917401     -0.242798      6.811991
  H      -4.216566      0.705027      9.735363
  H      -6.555048      0.645563      9.328817
  H      -6.135784     -2.693802      5.179352
  H      -9.999794     -0.368005      4.344530
  H     -11.021406      1.714836      5.271021
  H      -9.953981      2.877542      7.199020
  H      -7.884444      1.995703      8.202521
89
Coordinates from ORCA-job orca E -6144.708992998497
  N      -2.966316      4.436816      8.182794
  Mo     -2.996165      2.918731      6.840300
  N      -2.586670      1.148071      7.613931
  C      -1.206512      0.841228      8.017632
  C      -0.497033      2.118941      8.436197
  N      -0.799289      3.220734      7.471088
  C      -0.612650      4.553626      8.109689
  C      -1.826621      4.853117      8.960879
  C       0.056551      3.125170      6.250678
  C      -0.729089      3.706718      5.077770
  N      -2.084276      3.116433      5.067912
  H      -1.866891      5.936027      9.185464
  H      -1.777605      4.329683      9.941505
  H      -0.548947      5.288097      7.295625
  H       0.333084      4.569239      8.678254
  H      -0.195349      3.477431      4.142040
  H      -0.789520      4.808008      5.152878
  H       0.256687      2.062022      6.059730
  H       1.023091      3.627218      6.435384
  H      -1.197983      0.140585      8.870789
  H      -0.655921      0.338017      7.193202
  H      -0.873561      2.435700      9.419024
  H       0.594552      1.973535      8.511291
  C      -4.329198      4.737277      8.575816
  C      -4.954268      3.870553      7.507787
  C      -5.846738      4.312444      6.490596
  C      -5.990837      3.377951      5.472923
  N      -5.006612      2.391698      5.461198
  C      -5.105610      1.408360      4.546197
  N      -5.960900      1.315682      3.543696
  C      -6.925385      2.301789      3.470081
  C      -7.874213      2.258923      2.426279
  C      -8.906644      3.184594      2.372958
  C      -9.030035      4.171387      3.369551
  C      -8.100893      4.236660      4.400887
  C      -7.021091      3.330343      4.454768
  C      -2.324032      2.211480      3.923473
  C      -1.873198      0.799525      4.201514
  C      -2.303959     -0.383101      3.684666
  C      -3.357703     -0.587485      2.692498
  N      -3.738711      0.454567      1.957412
  C      -4.771106      0.273802      1.101598
  N      -5.414689     -0.840608      0.818311
  C      -5.036399     -1.934834      1.536401
  C      -5.705794     -3.163112      1.307569
  C      -5.380550     -4.279914      2.046393
  C      -4.374195     -4.215050      3.036745
  C      -3.699617     -3.033742      3.276082
  C      -4.003423     -1.866020      2.529484
  C      -3.507611     -0.001021      7.677884
  C      -4.590424      0.296182      8.666746
  C      -5.922965      0.269412      8.451839
  C      -6.607730     -0.241263      7.262003
  N      -6.090176     -1.291890      6.622538
  C      -6.798074     -1.785651      5.570641
  N      -7.977070     -1.386948      5.124928
  C      -8.508863     -0.285870      5.738953
  C      -9.721284      0.264377      5.253326
  C     -10.224814      1.427270      5.802127
  C      -9.547950      2.073503      6.862237
  C      -8.375304      1.547954      7.367444
  C      -7.833761      0.356792      6.823379
  H      -4.576264      5.813427      8.482149
  H      -4.577768      4.423637      9.611725
  H      -5.137654      2.810829      7.781722
  H      -6.316578      5.298635      6.496918
  H      -4.360276      0.609384      4.625369
  H      -7.778048      1.466782      1.681860
  H      -9.639753      3.133887      1.565595
  H      -9.858786      4.880276      3.335395
  H      -8.202053      4.990337      5.184910
  H      -1.783984      2.591804      3.037370
  H      -3.381013      2.237465      3.640596
  H      -1.114835      0.726414      4.984929
  H      -1.853855     -1.287686      4.095678
  H      -5.087248      1.168932      0.573307
  H      -6.488072     -3.182829      0.547795
  H      -5.906506     -5.220419      1.874412
  H      -4.132346     -5.105606      3.619343
  H      -2.938527     -3.004575      4.051673
  H      -2.951649     -0.909926      7.970373
  H      -3.935637     -0.217475      6.694707
  H      -4.238614      0.688459      9.627086
  H      -6.573273      0.664764      9.236727
  H      -6.329546     -2.623560      5.045533
  H     -10.207622     -0.234524      4.414438
  H     -11.137787      1.868128      5.399916
  H      -9.945768      3.004442      7.267878
  H      -7.844480      2.072332      8.162879
89
Coordinates from ORCA-job orca E -6144.710942469811
  N      -2.959291      4.444639      8.183100
  Mo     -3.000266      2.926539      6.839111
  N      -2.590846      1.150162      7.600323
  C      -1.213196      0.835095      8.003240
  C      -0.499419      2.104952      8.431627
  N      -0.796918      3.212348      7.470667
  C      -0.604809      4.541447      8.113761
  C      -1.817335      4.850970      8.961060
  C       0.057062      3.121347      6.250618
  C      -0.727586      3.718197      5.082735
  N      -2.089436      3.138852      5.066343
  H      -1.852117      5.934214      9.186185
  H      -1.770833      4.325117      9.942026
  H      -0.535111      5.278812      7.302396
  H       0.340581      4.548303      8.684103
  H      -0.196476      3.499948      4.142905
  H      -0.782096      4.819489      5.172930
  H       0.252809      2.057904      6.054242
  H       1.025592      3.618268      6.441665
  H      -1.207984      0.128911      8.852243
  H      -0.664682      0.333423      7.174549
  H      -0.877174      2.417222      9.415865
  H       0.591477      1.953513      8.508764
  C      -4.320753      4.751713      8.577054
  C      -4.952393      3.878528      7.519427
  C      -5.846485      4.310558      6.500608
  C      -5.985805      3.371865      5.489459
  N      -5.005205      2.380910      5.492943
  C      -5.107406      1.381333      4.593691
  N      -5.966131      1.272417      3.594986
  C      -6.925548      2.263523      3.504095
  C      -7.871745      2.205977      2.459765
  C      -8.898634      3.137376      2.385674
  C      -9.018608      4.143418      3.362746
  C      -8.091250      4.223833      4.396527
  C      -7.016039      3.312542      4.469770
  C      -2.337870      2.240027      3.919356
  C      -1.877840      0.829690      4.191842
  C      -2.303668     -0.357085      3.675536
  C      -3.354241     -0.574973      2.682817
  N      -3.725298      0.453407      1.931286
  C      -4.746397      0.264193      1.062008
  N      -5.386979     -0.852814      0.783277
  C      -5.018273     -1.937562      1.520100
  C      -5.683545     -3.169494      1.295274
  C      -5.363421     -4.278569      2.048238
  C      -4.365922     -4.202372      3.047157
  C      -3.696775     -3.017288      3.283047
  C      -3.996499     -1.855852      2.524866
  C      -3.513525      0.002577      7.656948
  C      -4.597883      0.295739      8.643953
  C      -5.931229      0.261550      8.435027
  C      -6.621558     -0.242766      7.247812
  N      -6.113616     -1.295646      6.606414
  C      -6.834470     -1.784209      5.559762
  N      -8.015556     -1.375972      5.122042
  C      -8.534158     -0.268513      5.736767
  C      -9.746876      0.292550      5.262150
  C     -10.234519      1.460689      5.816835
  C      -9.542398      2.100391      6.871031
  C      -8.370831      1.562721      7.367038
  C      -7.845129      0.365981      6.817583
  H      -4.565905      5.828093      8.478790
  H      -4.566411      4.441693      9.615353
  H      -5.146166      2.819768      7.809384
  H      -6.323949      5.295124      6.502636
  H      -4.367318      0.578906      4.688952
  H      -7.778104      1.399113      1.731001
  H      -9.629864      3.075510      1.577236
  H      -9.843572      4.855727      3.312074
  H      -8.191439      4.993177      5.166048
  H      -1.821880      2.626134      3.021207
  H      -3.401028      2.260016      3.658220
  H      -1.119689      0.759926      4.975497
  H      -1.845775     -1.257502      4.089261
  H      -5.046846      1.148782      0.512208
  H      -6.457275     -3.198841      0.527131
  H      -5.885290     -5.222036      1.879645
  H      -4.127110     -5.087598      3.639348
  H      -2.941483     -2.980164      4.063599
  H      -2.960450     -0.907800      7.950066
  H      -3.935961     -0.210038      6.671245
  H      -4.245713      0.688290      9.604551
  H      -6.580411      0.648135      9.225922
  H      -6.375759     -2.625284      5.030859
  H     -10.244702     -0.201079      4.426924
  H     -11.146139      1.911101      5.422361
  H      -9.928005      3.035177      7.279584
  H      -7.827423      2.080104      8.158801
89
Coordinates from ORCA-job orca E -6144.712611357411
  N      -2.945861      4.469430      8.163815
  Mo     -3.003378      2.927332      6.846617
  N      -2.594595      1.152424      7.617395
  C      -1.220344      0.834922      8.027594
  C      -0.501870      2.102925      8.451783
  N      -0.789591      3.203745      7.481580
  C      -0.590503      4.537276      8.112057
  C      -1.805595      4.870246      8.945451
  C       0.064297      3.096935      6.264899
  C      -0.712265      3.696879      5.094184
  N      -2.082605      3.137870      5.076653
  H      -1.832833      5.955957      9.159597
  H      -1.770865      4.352612      9.931945
  H      -0.508377      5.265895      7.293955
  H       0.350915      4.540892      8.689322
  H      -0.183770      3.472975      4.154343
  H      -0.754357      4.799027      5.184074
  H       0.249634      2.030199      6.075527
  H       1.037419      3.585150      6.456041
  H      -1.221933      0.134232      8.881280
  H      -0.671380      0.324322      7.203846
  H      -0.883443      2.422806      9.432240
  H       0.587743      1.945286      8.536297
  C      -4.306869      4.795895      8.542879
  C      -4.933555      3.893367      7.508092
  C      -5.821219      4.295458      6.468450
  C      -5.964208      3.344517      5.473115
  N      -4.980434      2.355509      5.469384
  C      -5.103598      1.341281      4.586549
  N      -5.985695      1.213613      3.611879
  C      -6.945254      2.204270      3.523868
  C      -7.906725      2.132353      2.495768
  C      -8.927885      3.069843      2.417862
  C      -9.025868      4.094972      3.376151
  C      -8.082710      4.188914      4.395277
  C      -7.011984      3.272513      4.469849
  C      -2.344912      2.243235      3.931704
  C      -1.859207      0.838732      4.183923
  C      -2.275176     -0.344062      3.653639
  C      -3.327036     -0.548289      2.662596
  N      -3.673283      0.482759      1.906542
  C      -4.689780      0.311696      1.028461
  N      -5.352172     -0.792833      0.751761
  C      -5.010897     -1.882084      1.496648
  C      -5.699567     -3.101579      1.273818
  C      -5.406062     -4.212437      2.035296
  C      -4.413690     -4.150209      3.040248
  C      -3.722628     -2.977534      3.273864
  C      -3.993648     -1.815667      2.506918
  C      -3.517487      0.004684      7.684659
  C      -4.611495      0.305414      8.657215
  C      -5.943051      0.262117      8.440791
  C      -6.626587     -0.247425      7.253389
  N      -6.117168     -1.304759      6.620541
  C      -6.836090     -1.797678      5.574686
  N      -8.016972     -1.392169      5.132864
  C      -8.535635     -0.279293      5.737162
  C      -9.752398      0.274268      5.264026
  C     -10.241024      1.444608      5.813528
  C      -9.546347      2.093760      6.859880
  C      -8.372647      1.561652      7.356612
  C      -7.847062      0.361147      6.814879
  H      -4.548258      5.870157      8.415562
  H      -4.555795      4.512181      9.587861
  H      -5.155028      2.846974      7.850289
  H      -6.302303      5.278928      6.447965
  H      -4.360450      0.542464      4.672287
  H      -7.828397      1.311569      1.781058
  H      -9.670933      2.997412      1.621261
  H      -9.846918      4.811496      3.323536
  H      -8.167753      4.973260      5.151488
  H      -1.868766      2.640824      3.016611
  H      -3.416356      2.248125      3.703272
  H      -1.095778      0.767982      4.962172
  H      -1.807209     -1.247240      4.051325
  H      -4.962989      1.198034      0.468544
  H      -6.468980     -3.120143      0.501241
  H      -5.945586     -5.146254      1.868986
  H      -4.197143     -5.036226      3.639723
  H      -2.972131     -2.949622      4.059825
  H      -2.964631     -0.898213      8.000026
  H      -3.929107     -0.225677      6.698231
  H      -4.267732      0.705774      9.617740
  H      -6.598333      0.645513      9.228539
  H      -6.377621     -2.641762      5.050771
  H     -10.251457     -0.226644      4.434060
  H     -11.155030      1.890339      5.419705
  H      -9.932468      3.030784      7.262431
  H      -7.827460      2.084570      8.143489
89
Coordinates from ORCA-job orca E -6144.714380836811
  N      -2.881811      4.512710      8.125110
  Mo     -3.027056      2.971060      6.814320
  N      -2.690362      1.184898      7.586891
  C      -1.327446      0.822738      7.967194
  C      -0.549914      2.061921      8.365379
  N      -0.808498      3.157146      7.400443
  C      -0.535250      4.486028      8.023193
  C      -1.716362      4.869744      8.885151
  C       0.014194      3.005245      6.169425
  C      -0.742434      3.620296      5.018462
  N      -2.116951      3.119403      5.027359
  H      -1.691006      5.955146      9.098183
  H      -1.684013      4.355024      9.868902
  H      -0.437665      5.208866      7.202653
  H       0.416026      4.451255      8.579676
  H      -0.237822      3.364781      4.072842
  H      -0.739664      4.719693      5.094985
  H       0.150025      1.932767      5.982426
  H       1.009104      3.453464      6.337041
  H      -1.338610      0.129658      8.826453
  H      -0.818877      0.286978      7.142039
  H      -0.896234      2.407155      9.348369
  H       0.533175      1.859945      8.428310
  C      -4.200747      4.894418      8.530258
  C      -4.874605      4.017776      7.519537
  C      -5.753725      4.441911      6.483952
  C      -5.889147      3.446419      5.556826
  N      -4.885785      2.450276      5.637921
  C      -5.064368      1.396779      4.804220
  N      -5.952943      1.227019      3.853871
  C      -6.892624      2.213979      3.696184
  C      -7.857520      2.086807      2.677351
  C      -8.862760      3.032388      2.541586
  C      -8.935192      4.114344      3.432662
  C      -7.985885      4.252444      4.437152
  C      -6.934243      3.328150      4.564019
  C      -2.372663      2.240777      3.890182
  C      -1.858386      0.857440      4.194385
  C      -2.250210     -0.317952      3.704763
  C      -3.315458     -0.466684      2.745784
  N      -3.634463      0.617641      2.037839
  C      -4.683276      0.519819      1.205844
  N      -5.403354     -0.554673      0.926441
  C      -5.079562     -1.691015      1.627543
  C      -5.824583     -2.874577      1.407013
  C      -5.549551     -4.017442      2.132680
  C      -4.518952     -4.018711      3.100992
  C      -3.774415     -2.878069      3.329092
  C      -4.029391     -1.697963      2.594002
  C      -3.628677      0.047880      7.702062
  C      -4.708767      0.344714      8.693366
  C      -6.028690      0.264984      8.466674
  C      -6.641689     -0.305906      7.262560
  N      -6.050417     -1.365962      6.697398
  C      -6.674182     -1.939540      5.637614
  N      -7.830774     -1.614567      5.113140
  C      -8.433813     -0.506481      5.636798
  C      -9.636995     -0.048289      5.052465
  C     -10.225200      1.110642      5.503986
  C      -9.646264      1.847078      6.562775
  C      -8.486890      1.411211      7.167048
  C      -7.860640      0.222338      6.724861
  H      -4.398597      5.975623      8.399820
  H      -4.439857      4.629210      9.579856
  H      -5.132366      2.988940      7.873098
  H      -6.211271      5.425588      6.428828
  H      -4.350506      0.591558      4.897358
  H      -7.794971      1.218639      2.017805
  H      -9.612127      2.924406      1.755075
  H      -9.742827      4.843291      3.342237
  H      -8.050585      5.081044      5.143786
  H      -1.883478      2.628293      2.977550
  H      -3.435631      2.239154      3.641549
  H      -1.094210      0.815419      4.976378
  H      -1.788023     -1.223795      4.101662
  H      -4.945212      1.454258      0.708919
  H      -6.623885     -2.841075      0.665420
  H      -6.134617     -4.923955      1.966687
  H      -4.316232     -4.924406      3.674666
  H      -2.989806     -2.890249      4.090999
  H      -3.060910     -0.845959      8.019851
  H      -4.073932     -0.204935      6.724216
  H      -4.368802      0.765604      9.645557
  H      -6.711462      0.646503      9.229108
  H      -6.146074     -2.784830      5.185348
  H     -10.048495     -0.614386      4.215634
  H     -11.132264      1.482436      5.024172
  H     -10.112478      2.778127      6.889186
  H      -8.033325      2.004668      7.960853
89
Coordinates from ORCA-job orca E -6144.716997642179
  N      -2.872646      4.532643      8.105225
  Mo     -3.014963      2.972316      6.817961
  N      -2.683164      1.194665      7.611514
  C      -1.325475      0.834520      8.008867
  C      -0.550270      2.075632      8.400946
  N      -0.796549      3.158125      7.418745
  C      -0.524869      4.494334      8.024560
  C      -1.711864      4.898516      8.867407
  C       0.034155      2.990940      6.196300
  C      -0.713878      3.604716      5.037334
  N      -2.091529      3.111329      5.035762
  H      -1.685825      5.987674      9.060552
  H      -1.689332      4.401066      9.861052
  H      -0.415888      5.205039      7.194622
  H       0.420865      4.463604      8.591190
  H      -0.204290      3.349855      4.094090
  H      -0.707336      4.704586      5.115871
  H       0.167615      1.916155      6.019933
  H       1.029533      3.437258      6.368241
  H      -1.345995      0.151687      8.876373
  H      -0.810231      0.287100      7.194403
  H      -0.908128      2.433661      9.375548
  H       0.531708      1.871976      8.479810
  C      -4.192860      4.923766      8.496792
  C      -4.868740      4.025257      7.507738
  C      -5.754393      4.421396      6.467188
  C      -5.881918      3.413690      5.551926
  N      -4.870178      2.427607      5.644169
  C      -5.046091      1.354641      4.832304
  N      -5.942223      1.158055      3.893345
  C      -6.886904      2.139015      3.718642
  C      -7.852772      1.987421      2.704244
  C      -8.858332      2.930086      2.546781
  C      -8.930378      4.032582      3.412600
  C      -7.980769      4.194474      4.414224
  C      -6.928527      3.273339      4.561928
  C      -2.346708      2.238373      3.893567
  C      -1.845699      0.847310      4.184193
  C      -2.252671     -0.318993      3.679200
  C      -3.313851     -0.444950      2.709984
  N      -3.600376      0.644580      1.997765
  C      -4.636171      0.569573      1.145114
  N      -5.377249     -0.488060      0.856710
  C      -5.089632     -1.630437      1.563580
  C      -5.858023     -2.796956      1.330405
  C      -5.616889     -3.947401      2.056241
  C      -4.597988     -3.973874      3.036716
  C      -3.831731     -2.850290      3.278193
  C      -4.051884     -1.661486      2.544437
  C      -3.626791      0.064322      7.739628
  C      -4.713167      0.380863      8.717157
  C      -6.032444      0.290151      8.489512
  C      -6.643737     -0.296120      7.292295
  N      -6.048596     -1.358249      6.736217
  C      -6.672474     -1.942276      5.681369
  N      -7.832147     -1.625240      5.155132
  C      -8.438703     -0.514682      5.669907
  C      -9.645969     -0.065182      5.086141
  C     -10.237375      1.094974      5.532372
  C      -9.657968      1.841233      6.584311
  C      -8.494828      1.413755      7.188146
  C      -7.865278      0.223648      6.752031
  H      -4.389630      6.002419      8.343042
  H      -4.433459      4.680816      9.551860
  H      -5.127091      3.001749      7.882703
  H      -6.227898      5.397991      6.401167
  H      -4.323387      0.557214      4.935294
  H      -7.789369      1.104690      2.064167
  H      -9.607664      2.803836      1.762685
  H      -9.738414      4.758979      3.304881
  H      -8.046622      5.039795      5.101174
  H      -1.863111      2.629988      2.979360
  H      -3.411062      2.241937      3.649643
  H      -1.086136      0.787976      4.969224
  H      -1.803916     -1.234801      4.069979
  H      -4.862692      1.505797      0.634167
  H      -6.646738     -2.744705      0.578413
  H      -6.219393     -4.840745      1.880404
  H      -4.421980     -4.885784      3.609765
  H      -3.056994     -2.883117      4.049073
  H      -3.065853     -0.825446      8.080205
  H      -4.063007     -0.205140      6.763679
  H      -4.378049      0.820407      9.663022
  H      -6.718191      0.679021      9.246034
  H      -6.141762     -2.788979      5.234340
  H     -10.057896     -0.638904      4.254553
  H     -11.147678      1.460030      5.053143
  H     -10.126886      2.772893      6.905603
  H      -8.040538      2.013269      7.977187
89
Coordinates from ORCA-job orca E -6144.719468592696
  N      -2.878051      4.525935      8.110320
  Mo     -3.023536      2.967182      6.821178
  N      -2.680166      1.189457      7.608396
  C      -1.322814      0.829532      8.005894
  C      -0.551148      2.070968      8.404367
  N      -0.798461      3.155397      7.424531
  C      -0.528510      4.489357      8.033092
  C      -1.717784      4.891694      8.873338
  C       0.032466      2.993633      6.202900
  C      -0.719058      3.614942      5.048134
  N      -2.096097      3.117586      5.040452
  H      -1.695198      5.980643      9.067946
  H      -1.696209      4.392324      9.866574
  H      -0.418512      5.202543      7.205323
  H       0.415729      4.458320      8.602487
  H      -0.207967      3.373281      4.102340
  H      -0.716562      4.714435      5.139965
  H       0.167299      1.919758      6.020721
  H       1.027434      3.440662      6.376199
  H      -1.342879      0.143778      8.871135
  H      -0.805480      0.285625      7.189286
  H      -0.913441      2.423549      9.379594
  H       0.531050      1.869050      8.486460
  C      -4.200932      4.915473      8.501814
  C      -4.874946      4.001773      7.523963
  C      -5.763453      4.384744      6.478343
  C      -5.878781      3.380221      5.556761
  N      -4.866996      2.394699      5.656137
  C      -5.034525      1.317751      4.846455
  N      -5.922145      1.118795      3.899758
  C      -6.861744      2.103569      3.709328
  C      -7.812525      1.952411      2.681146
  C      -8.812566      2.898611      2.506067
  C      -8.893797      4.003448      3.368034
  C      -7.958907      4.165375      4.384285
  C      -6.912236      3.240660      4.550959
  C      -2.347706      2.255486      3.888905
  C      -1.815624      0.868399      4.141282
  C      -2.220636     -0.296163      3.623957
  C      -3.300224     -0.421950      2.671438
  N      -3.590967      0.661586      1.953607
  C      -4.639022      0.586490      1.113931
  N      -5.394223     -0.466233      0.849203
  C      -5.105061     -1.603384      1.562030
  C      -5.887500     -2.764931      1.351180
  C      -5.643872     -3.910749      2.082966
  C      -4.609476     -3.937686      3.046957
  C      -3.829425     -2.819247      3.266971
  C      -4.050691     -1.634301      2.526392
  C      -3.629054      0.065272      7.740382
  C      -4.714023      0.398572      8.713479
  C      -6.034417      0.302564      8.492359
  C      -6.653374     -0.296763      7.306288
  N      -6.068178     -1.369036      6.760236
  C      -6.703419     -1.958317      5.714456
  N      -7.867146     -1.640907      5.194217
  C      -8.464090     -0.521071      5.700432
  C      -9.672869     -0.068164      5.121936
  C     -10.249195      1.104087      5.558757
  C      -9.652892      1.858963      6.594857
  C      -8.488077      1.428051      7.193818
  C      -7.873948      0.225918      6.767584
  H      -4.404757      5.992074      8.340396
  H      -4.435799      4.680518      9.560432
  H      -5.126351      2.984448      7.922666
  H      -6.250789      5.355455      6.411796
  H      -4.311592      0.520077      4.958685
  H      -7.741392      1.068574      2.043667
  H      -9.549665      2.773012      1.710411
  H      -9.697143      4.732558      3.245203
  H      -8.032888      5.014154      5.066475
  H      -1.894560      2.672652      2.970546
  H      -3.416765      2.238790      3.665061
  H      -1.043957      0.807071      4.914079
  H      -1.757811     -1.212907      3.996223
  H      -4.861506      1.516605      0.590463
  H      -6.687928     -2.712680      0.611775
  H      -6.256540     -4.800430      1.925005
  H      -4.432794     -4.846378      3.624972
  H      -3.044083     -2.851867      4.026209
  H      -3.077553     -0.826887      8.089640
  H      -4.063120     -0.208743      6.766257
  H      -4.375795      0.851220      9.652099
  H      -6.718233      0.700907      9.246135
  H      -6.181216     -2.811242      5.269782
  H     -10.097544     -0.648896      4.301826
  H     -11.160793      1.471183      5.083735
  H     -10.109924      2.799256      6.907717
  H      -8.019149      2.032308      7.970713
89
Coordinates from ORCA-job orca E -6144.721958155789
  N      -2.867616      4.537232      8.096167
  Mo     -3.015433      2.965982      6.825294
  N      -2.678846      1.191709      7.626886
  C      -1.324380      0.831679      8.035160
  C      -0.554238      2.074295      8.431973
  N      -0.789185      3.150950      7.441003
  C      -0.516811      4.489365      8.038949
  C      -1.711124      4.907475      8.863790
  C       0.046886      2.977360      6.224730
  C      -0.696653      3.604624      5.066197
  N      -2.076815      3.113937      5.048609
  H      -1.685932      5.998850      9.044035
  H      -1.700443      4.421678      9.863997
  H      -0.394640      5.194195      7.205924
  H       0.422219      4.458385      8.616913
  H      -0.182298      3.366162      4.121396
  H      -0.689068      4.704058      5.163163
  H       0.175250      1.901945      6.047103
  H       1.044479      3.417863      6.400639
  H      -1.350634      0.151218      8.904495
  H      -0.802286      0.281468      7.225557
  H      -0.926833      2.435630      9.400277
  H       0.526587      1.870479      8.528265
  C      -4.191062      4.935616      8.478856
  C      -4.870061      4.003734      7.520473
  C      -5.771904      4.360200      6.474129
  C      -5.871238      3.351889      5.553751
  N      -4.838797      2.388648      5.653446
  C      -4.989117      1.297272      4.858734
  N      -5.882669      1.067841      3.924559
  C      -6.839746      2.036495      3.724513
  C      -7.790299      1.858521      2.700460
  C      -8.801430      2.790967      2.512377
  C      -8.894099      3.908119      3.357319
  C      -7.960657      4.096036      4.370625
  C      -6.903726      3.185671      4.550154
  C      -2.328150      2.264551      3.886125
  C      -1.801124      0.871380      4.116034
  C      -2.213314     -0.286467      3.580448
  C      -3.289672     -0.398876      2.619078
  N      -3.555366      0.681636      1.886070
  C      -4.595830      0.614804      1.034343
  N      -5.370816     -0.424822      0.777467
  C      -5.110033     -1.557310      1.506282
  C      -5.915334     -2.704394      1.302989
  C      -5.700699     -3.846583      2.048692
  C      -4.673504     -3.884303      3.019710
  C      -3.871490     -2.780137      3.232967
  C      -4.062623     -1.598390      2.478331
  C      -3.634284      0.075351      7.771289
  C      -4.724668      0.430193      8.730758
  C      -6.045403      0.326875      8.510454
  C      -6.665695     -0.283469      7.330933
  N      -6.077015     -1.353509      6.785502
  C      -6.709000     -1.943509      5.738131
  N      -7.872986     -1.628176      5.215004
  C      -8.475129     -0.512003      5.723162
  C      -9.686752     -0.063546      5.146277
  C     -10.270046      1.103664      5.587779
  C      -9.677609      1.858239      6.626503
  C      -8.510110      1.431685      7.223538
  C      -7.888958      0.234249      6.793178
  H      -4.392452      6.009259      8.296346
  H      -4.425831      4.721848      9.542343
  H      -5.119802      2.992250      7.936422
  H      -6.283043      5.319204      6.407338
  H      -4.246255      0.516554      4.976322
  H      -7.708338      0.967360      2.074896
  H      -9.537072      2.645281      1.718894
  H      -9.705391      4.626299      3.223542
  H      -8.044323      4.954026      5.040006
  H      -1.876310      2.693736      2.972698
  H      -3.397975      2.250703      3.662377
  H      -1.030137      0.793817      4.888158
  H      -1.758833     -1.209782      3.946253
  H      -4.794948      1.540196      0.492769
  H      -6.709566     -2.643875      0.557643
  H      -6.330924     -4.724773      1.896491
  H      -4.519893     -4.789727      3.609281
  H      -3.093716     -2.821611      3.998543
  H      -3.091681     -0.813393      8.142341
  H      -4.061702     -0.215147      6.800819
  H      -4.389928      0.901591      9.661389
  H      -6.728750      0.737051      9.258027
  H      -6.182533     -2.793182      5.292500
  H     -10.108554     -0.644512      4.324975
  H     -11.184466      1.466692      5.115268
  H     -10.140087      2.794386      6.943440
  H      -8.045458      2.035569      8.003233
89
Coordinates from ORCA-job orca E -6144.724180678490
  N      -2.861209      4.545344      8.084082
  Mo     -3.005173      2.962411      6.829626
  N      -2.674986      1.192789      7.642982
  C      -1.323407      0.831060      8.059078
  C      -0.554685      2.074515      8.456419
  N      -0.780471      3.145814      7.457400
  C      -0.508268      4.487456      8.047768
  C      -1.708710      4.917278      8.858062
  C       0.059643      2.963740      6.245430
  C      -0.678735      3.595676      5.083800
  N      -2.059501      3.106203      5.055825
  H      -1.680865      6.010143      9.029269
  H      -1.708848      4.440083      9.862682
  H      -0.375382      5.186213      7.211328
  H       0.425443      4.457175      8.634545
  H      -0.159020      3.363873      4.140182
  H      -0.670037      4.694940      5.187905
  H       0.183913      1.887176      6.071719
  H       1.058872      3.400772      6.422348
  H      -1.354712      0.153271      8.930415
  H      -0.797259      0.277673      7.253863
  H      -0.935351      2.441298      9.419716
  H       0.525194      1.870091      8.563542
  C      -4.186718      4.948367      8.457069
  C      -4.865153      3.994536      7.519880
  C      -5.774480      4.327595      6.468758
  C      -5.865689      3.314817      5.549745
  N      -4.830954      2.355769      5.656138
  C      -4.980054      1.250598      4.879637
  N      -5.879260      1.003582      3.954965
  C      -6.834535      1.972463      3.738591
  C      -7.783112      1.781901      2.714679
  C      -8.786379      2.718388      2.504636
  C      -8.872875      3.853371      3.326631
  C      -7.942276      4.053904      4.340300
  C      -6.894217      3.137865      4.543270
  C      -2.312045      2.274663      3.880758
  C      -1.776449      0.880186      4.076531
  C      -2.199449     -0.267915      3.525410
  C      -3.290310     -0.363756      2.574842
  N      -3.555514      0.719037      1.845020
  C      -4.604912      0.658899      1.000870
  N      -5.395372     -0.372151      0.758640
  C      -5.137793     -1.504370      1.487113
  C      -5.960291     -2.641974      1.299233
  C      -5.747607     -3.784566      2.044329
  C      -4.706005     -3.832394      2.999719
  C      -3.887915     -2.737517      3.198547
  C      -4.076706     -1.555249      2.443807
  C      -3.639875      0.086346      7.799266
  C      -4.734973      0.460877      8.745958
  C      -6.055782      0.347359      8.525857
  C      -6.672915     -0.280058      7.353531
  N      -6.083281     -1.356816      6.823114
  C      -6.711265     -1.955323      5.777710
  N      -7.871617     -1.641075      5.243059
  C      -8.475187     -0.519581      5.738231
  C      -9.684706     -0.074263      5.153921
  C     -10.270174      1.095630      5.587053
  C      -9.681831      1.856539      6.623395
  C      -8.516044      1.433523      7.226958
  C      -7.893518      0.233250      6.806069
  H      -4.391059      6.017801      8.253285
  H      -4.419920      4.756738      9.525585
  H      -5.106338      2.990809      7.961330
  H      -6.305082      5.276242      6.400261
  H      -4.230812      0.475444      5.005362
  H      -7.703576      0.879790      2.104900
  H      -9.519272      2.563231      1.710371
  H      -9.677010      4.575920      3.174308
  H      -8.022007      4.927228      4.990163
  H      -1.871231      2.726446      2.972752
  H      -3.383781      2.254424      3.662722
  H      -0.995111      0.789917      4.836615
  H      -1.742410     -1.198528      3.869233
  H      -4.800265      1.582829      0.454134
  H      -6.765220     -2.573902      0.566089
  H      -6.390661     -4.655460      1.904509
  H      -4.554909     -4.738275      3.589343
  H      -3.100909     -2.785005      3.953943
  H      -3.106945     -0.800743      8.188167
  H      -4.061421     -0.219136      6.831621
  H      -4.403479      0.952282      9.667346
  H      -6.742591      0.769995      9.263469
  H      -6.184544     -2.810715      5.343260
  H     -10.104104     -0.660528      4.335170
  H     -11.183648      1.455034      5.109896
  H     -10.145841      2.794326      6.933120
  H      -8.053264      2.040883      8.005087
89
Coordinates from ORCA-job orca E -6144.725957958986
  N      -2.852042      4.553998      8.073756
  Mo     -3.004216      2.961603      6.833803
  N      -2.680426      1.194425      7.657500
  C      -1.330369      0.829259      8.076015
  C      -0.559563      2.071599      8.472831
  N      -0.776502      3.138938      7.468509
  C      -0.498549      4.481701      8.052908
  C      -1.701471      4.923923      8.852395
  C       0.064373      2.948041      6.259223
  C      -0.668840      3.587443      5.097616
  N      -2.051832      3.103764      5.061709
  H      -1.668577      6.017702      9.016673
  H      -1.711717      4.453552      9.860139
  H      -0.355331      5.175533      7.214255
  H       0.431064      4.448529      8.645958
  H      -0.146937      3.360603      4.154024
  H      -0.655874      4.686266      5.208708
  H       0.180573      1.870449      6.086456
  H       1.067019      3.377591      6.435854
  H      -1.364424      0.153266      8.948606
  H      -0.803919      0.273075      7.272810
  H      -0.945066      2.443038      9.432547
  H       0.518995      1.863778      8.587794
  C      -4.176997      4.965256      8.442893
  C      -4.860017      3.994237      7.526002
  C      -5.779338      4.305587      6.473555
  C      -5.856667      3.290850      5.556303
  N      -4.810587      2.344616      5.669538
  C      -4.946176      1.228334      4.906286
  N      -5.844372      0.960835      3.986515
  C      -6.805952      1.921751      3.753555
  C      -7.747537      1.713349      2.726824
  C      -8.752817      2.643466      2.497328
  C      -8.848086      3.789887      3.302250
  C      -7.925223      4.007795      4.319558
  C      -6.876590      3.097362      4.543421
  C      -2.304980      2.289804      3.873376
  C      -1.759009      0.894749      4.034903
  C      -2.186900     -0.246637      3.468569
  C      -3.289517     -0.333588      2.527731
  N      -3.550079      0.746643      1.792071
  C      -4.604596      0.688672      0.952281
  N      -5.407013     -0.335708      0.724223
  C      -5.156642     -1.463730      1.459894
  C      -5.993804     -2.593001      1.287440
  C      -5.788461     -3.731734      2.039807
  C      -4.740050     -3.784080      2.987268
  C      -3.907634     -2.697501      3.171293
  C      -4.088452     -1.518580      2.408743
  C      -3.651362      0.096194      7.825313
  C      -4.750903      0.488049      8.759824
  C      -6.071634      0.364592      8.541357
  C      -6.687171     -0.276801      7.376001
  N      -6.095795     -1.356454      6.854244
  C      -6.719897     -1.959985      5.809470
  N      -7.878811     -1.648667      5.268589
  C      -8.485857     -0.526337      5.757584
  C      -9.694496     -0.084608      5.168328
  C     -10.283004      1.086027      5.595936
  C      -9.698176      1.851697      6.630753
  C      -8.532882      1.432792      7.238265
  C      -7.907470      0.231671      6.823532
  H      -4.380940      6.031148      8.220408
  H      -4.406544      4.794116      9.515937
  H      -5.096344      2.999796      7.991198
  H      -6.331042      5.242632      6.405613
  H      -4.185395      0.464266      5.041136
  H      -7.659715      0.804314      2.129019
  H      -9.479275      2.474847      1.700006
  H      -9.652594      4.508229      3.133344
  H      -8.012036      4.890830      4.955193
  H      -1.874940      2.763106      2.971099
  H      -3.378081      2.263370      3.661211
  H      -0.964986      0.793922      4.780206
  H      -1.722788     -1.181138      3.791421
  H      -4.791875      1.606861      0.392338
  H      -6.803635     -2.521511      0.560141
  H      -6.442677     -4.596052      1.912233
  H      -4.595259     -4.686830      3.583212
  H      -3.117099     -2.748113      3.922083
  H      -3.126704     -0.787752      8.232144
  H      -4.067936     -0.223974      6.861426
  H      -4.422617      0.997191      9.672665
  H      -6.760022      0.796299      9.272145
  H      -6.190863     -2.816446      5.380190
  H     -10.111207     -0.674911      4.351219
  H     -11.196396      1.441730      5.116058
  H     -10.164342      2.789764      6.936058
  H      -8.072301      2.043922      8.014659
89
Coordinates from ORCA-job orca E -6144.727678285653
  N      -2.803585      4.561170      8.056626
  Mo     -2.987233      2.960888      6.834427
  N      -2.705263      1.188280      7.674916
  C      -1.358076      0.807093      8.099284
  C      -0.570910      2.040407      8.499189
  N      -0.757409      3.108817      7.490727
  C      -0.454398      4.447022      8.072785
  C      -1.657859      4.914956      8.852775
  C       0.085342      2.904102      6.285416
  C      -0.630332      3.569474      5.124572
  N      -2.020313      3.102904      5.065575
  H      -1.605311      6.008641      9.012639
  H      -1.695452      4.451655      9.862284
  H      -0.284256      5.135530      7.235570
  H       0.466798      4.396030      8.677060
  H      -0.102501      3.349272      4.182698
  H      -0.600010      4.667209      5.248788
  H       0.180016      1.825456      6.107073
  H       1.096945      3.311776      6.464362
  H      -1.402517      0.131677      8.971518
  H      -0.833022      0.245298      7.299805
  H      -0.961320      2.420675      9.453688
  H       0.502852      1.815060      8.628362
  C      -4.123436      4.994386      8.425300
  C      -4.828558      4.015320      7.529322
  C      -5.774444      4.321860      6.483756
  C      -5.882012      3.326919      5.545929
  N      -4.843948      2.367762      5.611861
  C      -5.004497      1.254432      4.851188
  N      -5.938481      0.997922      3.964446
  C      -6.892670      1.978874      3.757029
  C      -7.863255      1.792065      2.752696
  C      -8.851065      2.745644      2.544110
  C      -8.900939      3.896094      3.347864
  C      -7.952304      4.092635      4.344709
  C      -6.922631      3.156561      4.549278
  C      -2.264193      2.325770      3.843042
  C      -1.692155      0.933428      3.940334
  C      -2.109303     -0.212066      3.354685
  C      -3.233549     -0.338180      2.432791
  N      -3.538835      0.711328      1.665159
  C      -4.610821      0.591733      0.847718
  N      -5.389891     -0.459350      0.674333
  C      -5.096983     -1.550620      1.442761
  C      -5.913772     -2.702006      1.333643
  C      -5.670464     -3.803652      2.126666
  C      -4.604111     -3.795872      3.054583
  C      -3.790138     -2.687046      3.177198
  C      -4.008388     -1.544489      2.369407
  C      -3.686597      0.102464      7.845294
  C      -4.804234      0.501721      8.756533
  C      -6.125343      0.361525      8.532766
  C      -6.735345     -0.278929      7.363298
  N      -6.127041     -1.335930      6.817212
  C      -6.735473     -1.922659      5.755069
  N      -7.897878     -1.616358      5.215506
  C      -8.529385     -0.523021      5.737929
  C      -9.748367     -0.091551      5.161271
  C     -10.366207      1.050063      5.624456
  C      -9.798531      1.797932      6.681680
  C      -8.621809      1.390208      7.274472
  C      -7.967397      0.217033      6.825263
  H      -4.314778      6.058373      8.182152
  H      -4.348455      4.850403      9.503880
  H      -5.070427      3.042337      8.017475
  H      -6.345681      5.249752      6.449287
  H      -4.231312      0.490389      4.961021
  H      -7.809432      0.883184      2.152337
  H      -9.597650      2.593394      1.762605
  H      -9.689684      4.634641      3.193931
  H      -8.004254      4.979440      4.978443
  H      -1.833804      2.843032      2.964988
  H      -3.335903      2.287284      3.622105
  H      -0.870911      0.827420      4.654174
  H      -1.612479     -1.136616      3.653888
  H      -4.844529      1.482878      0.257304
  H      -6.739927     -2.676111      0.622043
  H      -6.309852     -4.684358      2.048655
  H      -4.431041     -4.669002      3.685793
  H      -2.990272     -2.688935      3.917746
  H      -3.175849     -0.778134      8.275897
  H      -4.088395     -0.236609      6.884223
  H      -4.489744      1.022566      9.667401
  H      -6.817525      0.787858      9.262256
  H      -6.188162     -2.757327      5.305943
  H     -10.151372     -0.667652      4.327688
  H     -11.289552      1.396347      5.157640
  H     -10.287082      2.714004      7.016314
  H      -8.175868      1.990600      8.067386
89
Coordinates from ORCA-job orca E -6144.728068377252
  N      -2.794108      4.553493      8.073393
  Mo     -2.967145      2.951945      6.854423
  N      -2.692661      1.176034      7.689685
  C      -1.344081      0.795270      8.117195
  C      -0.561568      2.030889      8.527757
  N      -0.743044      3.106073      7.522265
  C      -0.443848      4.442469      8.111789
  C      -1.655564      4.908126      8.882148
  C       0.099521      2.909739      6.314031
  C      -0.618272      3.591812      5.157284
  N      -2.008955      3.121167      5.083415
  H      -1.605012      6.001664      9.045098
  H      -1.703632      4.443266      9.890648
  H      -0.265591      5.135018      7.279761
  H       0.472771      4.389133      8.723078
  H      -0.085541      3.391171      4.213562
  H      -0.588281      4.688278      5.300458
  H       0.193693      1.832338      6.126920
  H       1.112186      3.316201      6.492541
  H      -1.387990      0.113053      8.984135
  H      -0.812306      0.242133      7.315501
  H      -0.959350      2.405563      9.481795
  H       0.512079      1.807711      8.663972
  C      -4.122207      4.979154      8.435798
  C      -4.818001      3.975402      7.556769
  C      -5.771809      4.243118      6.500790
  C      -5.809442      3.253249      5.542906
  N      -4.730127      2.345123      5.629265
  C      -4.802091      1.222804      4.870257
  N      -5.702084      0.915011      3.962680
  C      -6.697257      1.853137      3.725888
  C      -7.626804      1.621145      2.691284
  C      -8.645986      2.531308      2.443471
  C      -8.770415      3.685460      3.235698
  C      -7.865519      3.928091      4.262318
  C      -6.806484      3.035322      4.510670
  C      -2.269243      2.394302      3.831105
  C      -1.695967      1.001665      3.837042
  C      -2.164904     -0.120686      3.239028
  C      -3.367252     -0.221742      2.406225
  N      -3.752781      0.841261      1.693258
  C      -4.903237      0.725993      0.980296
  N      -5.694722     -0.323842      0.874851
  C      -5.323100     -1.423128      1.591671
  C      -6.147673     -2.573859      1.555232
  C      -5.822314     -3.683686      2.305231
  C      -4.664726     -3.685966      3.117528
  C      -3.842284     -2.578149      3.168282
  C      -4.144190     -1.427159      2.400174
  C      -3.685062      0.098648      7.845338
  C      -4.821586      0.511077      8.728106
  C      -6.142255      0.368722      8.485889
  C      -6.743442     -0.283536      7.317181
  N      -6.137892     -1.350354      6.788531
  C      -6.739696     -1.942329      5.725032
  N      -7.895238     -1.630242      5.167405
  C      -8.525553     -0.529174      5.676201
  C      -9.739562     -0.094930      5.089607
  C     -10.357074      1.051577      5.544397
  C      -9.792225      1.803137      6.600396
  C      -8.619510      1.393598      7.201564
  C      -7.967798      0.214385      6.763586
  H      -4.326401      6.037259      8.175965
  H      -4.344011      4.852478      9.517961
  H      -5.039437      3.015724      8.067823
  H      -6.391431      5.140309      6.466555
  H      -3.981237      0.506728      5.005391
  H      -7.514019      0.713401      2.097405
  H      -9.358162      2.343120      1.637920
  H      -9.582206      4.390643      3.048529
  H      -7.976607      4.818810      4.883176
  H      -1.856735      2.958115      2.972857
  H      -3.345972      2.356404      3.626029
  H      -0.829445      0.867770      4.489732
  H      -1.652773     -1.057072      3.468155
  H      -5.210934      1.626446      0.435837
  H      -7.044298     -2.540595      0.934992
  H      -6.466622     -4.564004      2.284729
  H      -4.427849     -4.566548      3.717037
  H      -2.970400     -2.584385      3.821797
  H      -3.192800     -0.784903      8.291559
  H      -4.068214     -0.248216      6.879878
  H      -4.521960      1.044228      9.636896
  H      -6.843326      0.808973      9.198679
  H      -6.195696     -2.788088      5.291799
  H     -10.140524     -0.674279      4.257275
  H     -11.277695      1.397806      5.071951
  H     -10.279457      2.722573      6.927694
  H      -8.173786      1.995346      7.993848
89
Coordinates from ORCA-job orca E -6144.729689176019
  N      -2.737320      4.559587      8.070361
  Mo     -2.975853      2.982324      6.829419
  N      -2.750937      1.182557      7.627258
  C      -1.410593      0.751586      8.030533
  C      -0.588504      1.952246      8.464129
  N      -0.742633      3.054424      7.484194
  C      -0.394030      4.366320      8.099995
  C      -1.586450      4.858778      8.883161
  C       0.083247      2.859734      6.265704
  C      -0.621421      3.588828      5.130952
  N      -2.022255      3.151437      5.055016
  H      -1.498260      5.946515      9.066654
  H      -1.649534      4.376704      9.882705
  H      -0.192875      5.069286      7.281905
  H       0.521808      4.266946      8.706589
  H      -0.097454      3.392574      4.181399
  H      -0.563541      4.680921      5.294441
  H       0.140287      1.784478      6.052785
  H       1.109913      3.228900      6.444106
  H      -1.466323      0.048696      8.880086
  H      -0.903170      0.204587      7.209074
  H      -0.969352      2.317276      9.428640
  H       0.478132      1.692587      8.588676
  C      -4.046850      5.024217      8.451503
  C      -4.783282      4.044941      7.579518
  C      -5.751111      4.339203      6.551964
  C      -5.816251      3.342779      5.610840
  N      -4.752870      2.417474      5.711032
  C      -4.868860      1.272541      4.993597
  N      -5.799808      0.951307      4.122232
  C      -6.775179      1.903909      3.867653
  C      -7.739127      1.651131      2.870321
  C      -8.741005      2.576518      2.608541
  C      -8.814240      3.767203      3.350978
  C      -7.877331      4.027927      4.343996
  C      -6.836222      3.117840      4.604214
  C      -2.277552      2.433241      3.798573
  C      -1.647742      1.064709      3.805211
  C      -2.065908     -0.083125      3.223398
  C      -3.258906     -0.250360      2.393783
  N      -3.680934      0.785368      1.665461
  C      -4.817605      0.612061      0.946098
  N      -5.558162     -0.474278      0.839825
  C      -5.148266     -1.548759      1.574165
  C      -5.919887     -2.735967      1.541521
  C      -5.556045     -3.820677      2.310830
  C      -4.412312     -3.759992      3.140435
  C      -3.641110     -2.615621      3.187762
  C      -3.982015     -1.489582      2.398603
  C      -3.771460      0.130340      7.760989
  C      -4.900468      0.559787      8.644659
  C      -6.222561      0.429453      8.408799
  C      -6.837286     -0.224583      7.248864
  N      -6.228758     -1.282541      6.706022
  C      -6.844628     -1.882114      5.655154
  N      -8.019322     -1.590772      5.127847
  C      -8.656572     -0.502313      5.654354
  C      -9.892570     -0.090229      5.098647
  C     -10.516965      1.047331      5.565980
  C      -9.935972      1.812832      6.603194
  C      -8.740860      1.425284      7.173956
  C      -8.081389      0.255203      6.723077
  H      -4.222481      6.088953      8.198976
  H      -4.257616      4.899412      9.535549
  H      -5.022225      3.088420      8.091630
  H      -6.366710      5.239881      6.535634
  H      -4.059022      0.547254      5.126964
  H      -7.667795      0.714507      2.316050
  H      -9.479714      2.371894      1.831303
  H      -9.611987      4.485565      3.153592
  H      -7.949532      4.946150      4.929649
  H      -1.878323      3.014117      2.944959
  H      -3.352247      2.364600      3.595402
  H      -0.762440      0.976948      4.441064
  H      -1.502276     -0.989721      3.451709
  H      -5.164522      1.495371      0.402786
  H      -6.808136     -2.750706      0.908708
  H      -6.160124     -4.729276      2.293120
  H      -4.145738     -4.620794      3.756063
  H      -2.780954     -2.573392      3.855437
  H      -3.304022     -0.770998      8.198905
  H      -4.158633     -0.195297      6.787757
  H      -4.592317      1.084644      9.555649
  H      -6.914976      0.871546      9.128796
  H      -6.294288     -2.713662      5.203412
  H     -10.305468     -0.679294      4.278957
  H     -11.456168      1.375831      5.117926
  H     -10.429657      2.725236      6.940653
  H      -8.284319      2.038331      7.951242
89
Coordinates from ORCA-job orca E -6144.729620862266
  N      -2.728289      4.603421      8.020938
  Mo     -2.963920      2.971110      6.851475
  N      -2.731936      1.210609      7.731544
  C      -1.394771      0.795401      8.149976
  C      -0.576474      2.010048      8.537636
  N      -0.729309      3.066504      7.512552
  C      -0.382157      4.400686      8.075223
  C      -1.580803      4.929171      8.827400
  C       0.097203      2.812443      6.308320
  C      -0.598431      3.496139      5.143750
  N      -2.002457      3.070766      5.075211
  H      -1.491890      6.023030      8.968124
  H      -1.652737      4.486546      9.844760
  H      -0.171093      5.069265      7.230915
  H       0.527335      4.322870      8.694509
  H      -0.068482      3.263206      4.205755
  H      -0.536215      4.592412      5.268281
  H       0.144885      1.728525      6.142369
  H       1.126301      3.180944      6.472753
  H      -1.451377      0.126895      9.026751
  H      -0.887601      0.216880      7.349787
  H      -0.961921      2.414266      9.484434
  H       0.489470      1.755835      8.677428
  C      -4.038614      5.079292      8.381819
  C      -4.770097      4.052081      7.564546
  C      -5.752581      4.316241      6.540574
  C      -5.853248      3.329519      5.597021
  N      -4.796444      2.389425      5.620601
  C      -4.958908      1.278373      4.857719
  N      -5.931623      0.994821      4.021671
  C      -6.903899      1.962216      3.845603
  C      -7.909669      1.756171      2.880564
  C      -8.900402      2.708501      2.681701
  C      -8.916998      3.880433      3.454797
  C      -7.937051      4.093666      4.418040
  C      -6.910989      3.152207      4.619141
  C      -2.266306      2.355218      3.820318
  C      -1.658319      0.976478      3.837027
  C      -2.089456     -0.160366      3.251794
  C      -3.237277     -0.287212      2.359085
  N      -3.526052      0.745864      1.569599
  C      -4.598828      0.621085      0.753389
  N      -5.392586     -0.422155      0.607844
  C      -5.123931     -1.495511      1.409597
  C      -5.964840     -2.633242      1.336354
  C      -5.740715     -3.715141      2.161414
  C      -4.672381     -3.701085      3.087847
  C      -3.835548     -2.606193      3.176736
  C      -4.032746     -1.483100      2.334382
  C      -3.744699      0.163462      7.925593
  C      -4.890455      0.633885      8.762225
  C      -6.200411      0.463599      8.503367
  C      -6.758174     -0.254942      7.355597
  N      -6.096326     -1.311421      6.874941
  C      -6.647604     -1.957665      5.816468
  N      -7.806717     -1.719391      5.233200
  C      -8.498745     -0.636389      5.697622
  C      -9.723501     -0.282474      5.081552
  C     -10.398913      0.850378      5.485028
  C      -9.880889      1.669795      6.514105
  C      -8.698825      1.338339      7.143964
  C      -7.990782      0.171992      6.762610
  H      -4.222747      6.128629      8.076738
  H      -4.242943      5.009644      9.471719
  H      -4.997737      3.120579      8.141675
  H      -6.379648      5.208973      6.537204
  H      -4.156274      0.543355      4.921916
  H      -7.877891      0.835035      2.297426
  H      -9.671915      2.540486      1.927911
  H      -9.703164      4.622600      3.304434
  H      -7.963366      5.000002      5.025998
  H      -1.850616      2.929838      2.969910
  H      -3.339014      2.304122      3.608530
  H      -0.784251      0.874935      4.485905
  H      -1.561350     -1.082676      3.502487
  H      -4.816532      1.495340      0.134948
  H      -6.792289     -2.612401      0.626105
  H      -6.397885     -4.585075      2.111485
  H      -4.517036     -4.558863      3.744515
  H      -3.036174     -2.599419      3.917325
  H      -3.276239     -0.703753      8.427614
  H      -4.116199     -0.229886      6.972260
  H      -4.608936      1.217953      9.645550
  H      -6.924262      0.928264      9.177220
  H      -6.051360     -2.779109      5.407429
  H     -10.086227     -0.911110      4.267430
  H     -11.329654      1.133639      4.990737
  H     -10.413482      2.578365      6.798920
  H      -8.288789      1.991311      7.914534
89
Coordinates from ORCA-job orca E -6144.732732232071
  N      -2.678028      4.626212      8.010216
  Mo     -2.929305      2.990097      6.850840
  N      -2.735750      1.225886      7.737450
  C      -1.404864      0.792361      8.162992
  C      -0.573683      1.996285      8.560245
  N      -0.700234      3.056353      7.534330
  C      -0.337308      4.385668      8.101454
  C      -1.537694      4.936047      8.834521
  C       0.130458      2.791775      6.333737
  C      -0.544104      3.493765      5.166289
  N      -1.955449      3.091014      5.081054
  H      -1.431784      6.028611      8.973533
  H      -1.633752      4.498707      9.851725
  H      -0.100469      5.049791      7.260799
  H       0.561241      4.291746      8.733896
  H      -0.009585      3.259746      4.231115
  H      -0.464749      4.588259      5.298353
  H       0.159080      1.707909      6.164230
  H       1.165417      3.140266      6.505313
  H      -1.474867      0.120736      9.036304
  H      -0.899060      0.211298      7.364576
  H      -0.964365      2.405941      9.502611
  H       0.487146      1.727406      8.712180
  C      -3.985623      5.122435      8.357550
  C      -4.728651      4.088817      7.555073
  C      -5.719962      4.332122      6.531070
  C      -5.802863      3.323843      5.608335
  N      -4.739314      2.395655      5.685135
  C      -4.867714      1.256128      4.960233
  N      -5.823056      0.929740      4.118943
  C      -6.806047      1.879374      3.891384
  C      -7.791580      1.626814      2.916040
  C      -8.785407      2.562059      2.659846
  C      -8.826330      3.764535      3.384163
  C      -7.867792      4.024704      4.356851
  C      -6.840160      3.100228      4.617040
  C      -2.230418      2.406087      3.809298
  C      -1.647245      1.017258      3.782698
  C      -2.121492     -0.102890      3.192276
  C      -3.315444     -0.199820      2.352915
  N      -3.643839      0.852458      1.601622
  C      -4.764678      0.748296      0.846195
  N      -5.570321     -0.288671      0.724378
  C      -5.261211     -1.378582      1.486541
  C      -6.110651     -2.510930      1.439107
  C      -5.846053     -3.609504      2.228863
  C      -4.726969     -3.618242      3.093139
  C      -3.881117     -2.528615      3.155889
  C      -4.119933     -1.389145      2.348153
  C      -3.764635      0.191816      7.919381
  C      -4.931324      0.682953      8.716270
  C      -6.238661      0.499196      8.443043
  C      -6.784409     -0.258800      7.314009
  N      -6.109531     -1.320547      6.864205
  C      -6.648519     -2.004641      5.824224
  N      -7.810090     -1.800475      5.232804
  C      -8.519634     -0.717264      5.668976
  C      -9.754978     -0.408037      5.049986
  C     -10.454038      0.719770      5.424977
  C      -9.948718      1.579451      6.427176
  C      -8.757169      1.291655      7.060500
  C      -8.025517      0.129900      6.710625
  H      -4.154934      6.167678      8.031961
  H      -4.194976      5.075632      9.447899
  H      -4.963675      3.171756      8.143992
  H      -6.362000      5.214328      6.517548
  H      -4.050410      0.537244      5.067771
  H      -7.741491      0.683820      2.370402
  H      -9.540465      2.357265      1.898645
  H      -9.613673      4.494301      3.187282
  H      -7.912212      4.955268      4.925340
  H      -1.808623      2.995385      2.971804
  H      -3.304868      2.375102      3.602382
  H      -0.746776      0.889864      4.389541
  H      -1.592699     -1.036400      3.395834
  H      -5.019968      1.638022      0.263234
  H      -6.977124     -2.472459      0.777841
  H      -6.509705     -4.475178      2.199485
  H      -4.538817     -4.489282      3.723044
  H      -3.040368     -2.539456      3.848787
  H      -3.318574     -0.669976      8.450283
  H      -4.113107     -0.217343      6.964639
  H      -4.668806      1.291661      9.588533
  H      -6.969977      0.981932      9.094697
  H      -6.040048     -2.829955      5.441789
  H     -10.107714     -1.067872      4.256503
  H     -11.393418      0.968114      4.928504
  H     -10.499394      2.483969      6.688971
  H      -8.359575      1.976075      7.809879
89
Coordinates from ORCA-job orca E -6144.733325211734
  N      -2.641223      4.631499      8.021698
  Mo     -2.923588      2.998926      6.863323
  N      -2.759382      1.226594      7.736145
  C      -1.431286      0.763673      8.140956
  C      -0.576277      1.950191      8.545624
  N      -0.693047      3.025507      7.531429
  C      -0.304148      4.342641      8.110055
  C      -1.494012      4.911093      8.848051
  C       0.118659      2.762409      6.316218
  C      -0.556418      3.491496      5.163405
  N      -1.972999      3.105848      5.085247
  H      -1.365454      6.000044      8.997172
  H      -1.598857      4.465944      9.861264
  H      -0.052635      5.009714      7.275730
  H       0.592168      4.224316      8.741753
  H      -0.031512      3.262507      4.221394
  H      -0.461454      4.583781      5.308590
  H       0.124254      1.680119      6.132590
  H       1.162124      3.090117      6.478201
  H      -1.503192      0.079370      9.004253
  H      -0.942727      0.187365      7.328308
  H      -0.953788      2.356163      9.495087
  H       0.481414      1.662973      8.686746
  C      -3.941444      5.144655      8.378051
  C      -4.700052      4.107979      7.594216
  C      -5.702904      4.342832      6.577457
  C      -5.756682      3.333063      5.650053
  N      -4.666419      2.436065      5.728259
  C      -4.761469      1.285460      5.017153
  N      -5.708561      0.925018      4.179238
  C      -6.714156      1.848811      3.941193
  C      -7.691595      1.561093      2.967016
  C      -8.706811      2.468893      2.697116
  C      -8.777305      3.680739      3.404604
  C      -7.827840      3.976069      4.376316
  C      -6.781651      3.077802      4.653181
  C      -2.276317      2.453335      3.805578
  C      -1.662700      1.082785      3.725626
  C      -2.138856     -0.034369      3.136119
  C      -3.372575     -0.147741      2.355041
  N      -3.781936      0.906229      1.646814
  C      -4.930156      0.764743      0.935965
  N      -5.687722     -0.309137      0.819867
  C      -5.290090     -1.400958      1.536560
  C      -6.076514     -2.577842      1.490365
  C      -5.717481     -3.680181      2.236845
  C      -4.565278     -3.647771      3.056842
  C      -3.781611     -2.512809      3.119253
  C      -4.116850     -1.371709      2.351909
  C      -3.812760      0.212893      7.901809
  C      -4.987924      0.739073      8.665527
  C      -6.297134      0.568223      8.383261
  C      -6.852294     -0.210232      7.272996
  N      -6.188845     -1.289742      6.848325
  C      -6.736207     -1.992746      5.825803
  N      -7.898196     -1.792398      5.231757
  C      -8.599643     -0.695528      5.647194
  C      -9.838928     -0.395548      5.031666
  C     -10.530050      0.744614      5.385774
  C     -10.010961      1.626676      6.360723
  C      -8.814552      1.348100      6.990363
  C      -8.093555      0.172830      6.665303
  H      -4.104362      6.187494      8.041642
  H      -4.139182      5.113262      9.471415
  H      -4.930080      3.204514      8.203724
  H      -6.370409      5.205935      6.574353
  H      -3.925353      0.588945      5.137473
  H      -7.616114      0.614057      2.431186
  H      -9.454543      2.236528      1.936433
  H      -9.579331      4.390694      3.194368
  H      -7.894326      4.915087      4.929018
  H      -1.888715      3.074320      2.974409
  H      -3.357018      2.405390      3.631408
  H      -0.729134      0.970356      4.284743
  H      -1.572757     -0.957169      3.284148
  H      -5.257083      1.655890      0.390043
  H      -6.970745     -2.571328      0.865685
  H      -6.332800     -4.580943      2.209983
  H      -4.304565     -4.522723      3.654956
  H      -2.917027     -2.485532      3.783906
  H      -3.396836     -0.651073      8.453823
  H      -4.143499     -0.207014      6.941783
  H      -4.728309      1.362976      9.527648
  H      -7.025023      1.081239      9.015524
  H      -6.134878     -2.830116      5.458986
  H     -10.202689     -1.073240      4.258166
  H     -11.473785      0.984818      4.893025
  H     -10.554072      2.541037      6.603790
  H      -8.404160      2.049530      7.717252
89
Coordinates from ORCA-job orca E -6144.734999361753
  N      -2.562216      4.684630      7.982049
  Mo     -2.877461      3.025253      6.871799
  N      -2.762993      1.269083      7.789239
  C      -1.447916      0.785745      8.211153
  C      -0.571214      1.960097      8.600511
  N      -0.652442      3.013243      7.561765
  C      -0.234871      4.333158      8.114242
  C      -1.419561      4.953379      8.818701
  C       0.158693      2.698472      6.358481
  C      -0.481583      3.424217      5.186426
  N      -1.909440      3.084352      5.101341
  H      -1.262625      6.041705      8.941954
  H      -1.552742      4.538056      9.840888
  H       0.050284      4.971908      7.268765
  H       0.647132      4.204284      8.763385
  H       0.044724      3.161532      4.254065
  H      -0.354274      4.515346      5.311497
  H       0.127446      1.613197      6.196306
  H       1.211593      2.993300      6.521434
  H      -1.540368      0.117950      9.085273
  H      -0.965838      0.185627      7.412496
  H      -0.950177      2.396402      9.535737
  H       0.477700      1.651626      8.760441
  C      -3.851941      5.238468      8.313087
  C      -4.633226      4.187880      7.568530
  C      -5.651272      4.405398      6.560895
  C      -5.737494      3.375978      5.663499
  N      -4.667139      2.455952      5.753121
  C      -4.799132      1.288634      5.076135
  N      -5.767536      0.925480      4.265468
  C      -6.755527      1.864385      4.015306
  C      -7.756232      1.569473      3.067940
  C      -8.752507      2.493627      2.783446
  C      -8.779418      3.730124      3.448954
  C      -7.806799      4.032338      4.395318
  C      -6.781706      3.115969      4.687695
  C      -2.233679      2.464349      3.808983
  C      -1.663514      1.075189      3.708124
  C      -2.181699     -0.024928      3.119376
  C      -3.428401     -0.099079      2.355239
  N      -3.809295      0.972779      1.657524
  C      -4.969869      0.876932      0.961579
  N      -5.766106     -0.168746      0.847819
  C      -5.399913     -1.278748      1.554048
  C      -6.230338     -2.424885      1.511562
  C      -5.905774     -3.543506      2.249420
  C      -4.744498     -3.558595      3.056062
  C      -3.917213     -2.454542      3.113947
  C      -4.216878     -1.296902      2.355869
  C      -3.829157      0.271565      7.958256
  C      -5.037762      0.825940      8.644003
  C      -6.331069      0.610365      8.325325
  C      -6.823386     -0.249932      7.247291
  N      -6.105817     -1.324673      6.905948
  C      -6.588450     -2.105125      5.908767
  N      -7.736977     -1.988289      5.269879
  C      -8.497413     -0.903254      5.603841
  C      -9.731140     -0.698804      4.940429
  C     -10.483953      0.424785      5.209061
  C     -10.032639      1.385901      6.142179
  C      -8.843388      1.201378      6.817696
  C      -8.060975      0.043936      6.583523
  H      -3.990318      6.269533      7.933482
  H      -4.052530      5.255904      9.405898
  H      -4.879486      3.312592      8.212609
  H      -6.315701      5.270847      6.553155
  H      -3.977792      0.577235      5.206708
  H      -7.713843      0.604018      2.562721
  H      -9.518651      2.255200      2.043434
  H      -9.564944      4.454302      3.225905
  H      -7.837772      4.991118      4.916035
  H      -1.821516      3.085484      2.989454
  H      -3.314182      2.456293      3.633942
  H      -0.719798      0.931668      4.243303
  H      -1.638689     -0.963736      3.249525
  H      -5.271009      1.782247      0.424886
  H      -7.130813     -2.381327      0.897555
  H      -6.555361     -4.419857      2.225654
  H      -4.510201     -4.445535      3.647217
  H      -3.045012     -2.465370      3.767998
  H      -3.441165     -0.565359      8.569378
  H      -4.119469     -0.192985      7.006107
  H      -4.821698      1.501732      9.478514
  H      -7.091396      1.142135      8.900518
  H      -5.941609     -2.935336      5.609416
  H     -10.041443     -1.437065      4.199831
  H     -11.424090      0.590493      4.680303
  H     -10.622966      2.286485      6.316426
  H      -8.487361      1.964406      7.510203
89
Coordinates from ORCA-job orca E -6144.736002080812
  N      -2.517255      4.720315      7.939380
  Mo     -2.852598      3.035224      6.874736
  N      -2.777565      1.294762      7.830330
  C      -1.471644      0.795694      8.261046
  C      -0.580486      1.961426      8.640870
  N      -0.635951      2.997925      7.584883
  C      -0.199071      4.320472      8.116147
  C      -1.381188      4.981744      8.787642
  C       0.174563      2.646266      6.391762
  C      -0.439149      3.368159      5.205497
  N      -1.872042      3.054977      5.112553
  H      -1.201856      6.068730      8.890332
  H      -1.539446      4.591284      9.815936
  H       0.115049      4.934362      7.262585
  H       0.668882      4.186198      8.782749
  H       0.090659      3.080936      4.282501
  H      -0.291677      4.458487      5.314902
  H       0.115435      1.559927      6.243336
  H       1.233573      2.916971      6.556892
  H      -1.577697      0.138958      9.142030
  H      -0.994853      0.179758      7.471492
  H      -0.961607      2.419106      9.564906
  H       0.461968      1.639294      8.815443
  C      -3.800869      5.301904      8.246804
  C      -4.595136      4.232532      7.542227
  C      -5.631522      4.427697      6.546897
  C      -5.731620      3.391222      5.661909
  N      -4.658910      2.472525      5.734039
  C      -4.797030      1.307489      5.053686
  N      -5.782021      0.938225      4.266581
  C      -6.785314      1.867798      4.046284
  C      -7.814570      1.561219      3.134359
  C      -8.826375      2.476238      2.878053
  C      -8.838432      3.717280      3.534475
  C      -7.836487      4.031824      4.445675
  C      -6.798901      3.122177      4.712919
  C      -2.197075      2.458595      3.808315
  C      -1.634290      1.066907      3.697579
  C      -2.156705     -0.026839      3.102783
  C      -3.392614     -0.089726      2.321451
  N      -3.750107      0.986696      1.617929
  C      -4.890134      0.897763      0.888648
  N      -5.687484     -0.144300      0.750409
  C      -5.349870     -1.255987      1.468777
  C      -6.186961     -2.396130      1.404194
  C      -5.893160     -3.515110      2.154397
  C      -4.756486     -3.537058      2.994852
  C      -3.921664     -2.439951      3.072918
  C      -4.190075     -1.281763      2.303671
  C      -3.852092      0.305931      8.000676
  C      -5.078319      0.879263      8.636761
  C      -6.366697      0.649084      8.306406
  C      -6.849598     -0.238253      7.246697
  N      -6.119393     -1.310565      6.921981
  C      -6.595065     -2.114525      5.940779
  N      -7.750175     -2.027733      5.308819
  C      -8.527185     -0.951003      5.631960
  C      -9.775619     -0.786012      4.984611
  C     -10.548841      0.325759      5.244325
  C     -10.102001      1.315688      6.148424
  C      -8.898945      1.169063      6.808631
  C      -8.097258      0.022483      6.587882
  H      -3.926369      6.318491      7.826402
  H      -4.001406      5.364917      9.337786
  H      -4.844942      3.385136      8.221673
  H      -6.307574      5.284255      6.547099
  H      -3.966730      0.603026      5.163475
  H      -7.782756      0.593929      2.633054
  H      -9.615579      2.227481      2.166202
  H      -9.634482      4.435890      3.331599
  H      -7.854576      4.994874      4.958962
  H      -1.769726      3.087623      3.002178
  H      -3.275481      2.462318      3.625586
  H      -0.690433      0.915194      4.230464
  H      -1.620669     -0.969945      3.231399
  H      -5.170150      1.804503      0.342508
  H      -7.069091     -2.347238      0.764454
  H      -6.549172     -4.386024      2.114511
  H      -4.547077     -4.424003      3.595184
  H      -3.069145     -2.455750      3.752022
  H      -3.483696     -0.510308      8.651348
  H      -4.114574     -0.191910      7.057206
  H      -4.880584      1.579815      9.455108
  H      -7.133040      1.197498      8.857310
  H      -5.937662     -2.940526      5.652203
  H     -10.082299     -1.546420      4.265148
  H     -11.501524      0.460071      4.729267
  H     -10.707535      2.207771      6.313397
  H      -8.550972      1.952445      7.481990
89
Coordinates from ORCA-job orca E -6144.736959977071
  N      -2.458071      4.758825      7.902020
  Mo     -2.823302      3.050743      6.881356
  N      -2.793773      1.326808      7.872639
  C      -1.498573      0.806263      8.309518
  C      -0.586588      1.959038      8.678333
  N      -0.615710      2.980254      7.606728
  C      -0.152984      4.301313      8.118711
  C      -1.326809      5.005161      8.760940
  C       0.189088      2.592083      6.420804
  C      -0.397230      3.313124      5.222739
  N      -1.836120      3.032562      5.127463
  H      -1.119804      6.088600      8.847488
  H      -1.509269      4.636326      9.793133
  H       0.190240      4.889959      7.258524
  H       0.701012      4.157418      8.801012
  H       0.131167      2.997270      4.308479
  H      -0.224759      4.401509      5.314687
  H       0.096171      1.506499      6.281977
  H       1.254934      2.833043      6.587472
  H      -1.619265      0.160308      9.196644
  H      -1.031685      0.173453      7.527703
  H      -0.964971      2.438618      9.592309
  H       0.448292      1.619295      8.863978
  C      -3.732006      5.372484      8.187717
  C      -4.540747      4.290401      7.519768
  C      -5.587710      4.466950      6.530961
  C      -5.692902      3.410652      5.672662
  N      -4.616233      2.495850      5.752139
  C      -4.757554      1.318850      5.093818
  N      -5.749021      0.930722      4.324903
  C      -6.761139      1.848605      4.103246
  C      -7.806105      1.513847      3.220095
  C      -8.832531      2.413073      2.967610
  C      -8.841614      3.668007      3.596457
  C      -7.822838      4.010916      4.478735
  C      -6.772740      3.115775      4.744396
  C      -2.176334      2.469951      3.811973
  C      -1.633730      1.072712      3.677032
  C      -2.180532     -0.005817      3.080931
  C      -3.427000     -0.040836      2.317126
  N      -3.774789      1.049522      1.630749
  C      -4.924397      0.988243      0.915227
  N      -5.739348     -0.040066      0.773384
  C      -5.413187     -1.164764      1.477924
  C      -6.271586     -2.288981      1.415508
  C      -5.991345     -3.417165      2.157646
  C      -4.846875     -3.464962      2.986261
  C      -3.989899     -2.384822      3.059652
  C      -4.245005     -1.218089      2.299368
  C      -3.880234      0.349355      8.035055
  C      -5.130015      0.947715      8.595075
  C      -6.406177      0.694664      8.236511
  C      -6.856024     -0.243299      7.208057
  N      -6.096189     -1.309680      6.932225
  C      -6.538059     -2.158497      5.974331
  N      -7.686737     -2.123482      5.325718
  C      -8.496181     -1.057681      5.603236
  C      -9.743191     -0.951814      4.940401
  C     -10.549142      0.146850      5.152438
  C     -10.135853      1.183039      6.019431
  C      -8.934409      1.094769      6.692884
  C      -8.101377     -0.038074      6.525117
  H      -3.840125      6.373581      7.727887
  H      -3.932449      5.480259      9.274940
  H      -4.798670      3.476251      8.235270
  H      -6.272497      5.316336      6.527432
  H      -3.924250      0.620500      5.208143
  H      -7.776448      0.536462      2.738419
  H      -9.635428      2.141249      2.279918
  H      -9.647994      4.375491      3.395068
  H      -7.836995      4.985482      4.970060
  H      -1.738343      3.106978      3.017693
  H      -3.254876      2.496231      3.635802
  H      -0.681577      0.903882      4.190273
  H      -1.657300     -0.958718      3.189995
  H      -5.194339      1.905786      0.382518
  H      -7.159766     -2.219950      0.785974
  H      -6.664591     -4.275023      2.120990
  H      -4.648766     -4.358637      3.580410
  H      -3.130016     -2.418899      3.729235
  H      -3.544232     -0.439254      8.736270
  H      -4.101599     -0.189337      7.102091
  H      -4.963553      1.683367      9.389176
  H      -7.189141      1.265027      8.739630
  H      -5.858032     -2.979328      5.725326
  H     -10.023656     -1.748304      4.249697
  H     -11.502277      0.233893      4.627882
  H     -10.765654      2.064708      6.144723
  H      -8.614860      1.913071      7.338023
89
Coordinates from ORCA-job orca E -6144.737173060433
  N      -2.448855      4.774241      7.856216
  Mo     -2.807509      3.041850      6.869032
  N      -2.810045      1.330607      7.890562
  C      -1.520634      0.803517      8.335972
  C      -0.606760      1.953905      8.706558
  N      -0.617358      2.967642      7.628070
  C      -0.154454      4.291372      8.132761
  C      -1.334716      5.016549      8.738038
  C       0.199342      2.566172      6.453957
  C      -0.360046      3.284390      5.244350
  N      -1.798464      3.012268      5.135043
  H      -1.115386      6.098154      8.816882
  H      -1.544873      4.661268      9.769626
  H       0.215901      4.863605      7.272803
  H       0.681089      4.148748      8.837714
  H       0.178274      2.952322      4.341926
  H      -0.181191      4.372731      5.325076
  H       0.092542      1.481731      6.313594
  H       1.265387      2.794071      6.636164
  H      -1.651747      0.163233      9.226004
  H      -1.052031      0.163067      7.561775
  H      -0.995345      2.443028      9.611109
  H       0.424301      1.611382      8.907136
  C      -3.724529      5.398780      8.107831
  C      -4.523955      4.298130      7.459350
  C      -5.569166      4.447907      6.463255
  C      -5.650032      3.372838      5.627248
  N      -4.563439      2.472493      5.738908
  C      -4.678920      1.287697      5.089758
  N      -5.648061      0.878776      4.304818
  C      -6.671457      1.775215      4.060417
  C      -7.693838      1.414497      3.161773
  C      -8.734647      2.290241      2.888545
  C      -8.778657      3.548489      3.508728
  C      -7.779437      3.918140      4.403146
  C      -6.715215      3.046844      4.690063
  C      -2.131324      2.485447      3.803392
  C      -1.594459      1.088972      3.647567
  C      -2.151288      0.025511      3.041766
  C      -3.402244      0.017781      2.290033
  N      -3.743916      1.126232      1.631057
  C      -4.901804      1.094076      0.930010
  N      -5.730629      0.077870      0.775306
  C      -5.411445     -1.064394      1.456183
  C      -6.287152     -2.174931      1.389543
  C      -6.017116     -3.315449      2.117489
  C      -4.865640     -3.389834      2.934430
  C      -3.990508     -2.324652      3.008704
  C      -4.235442     -1.146997      2.263079
  C      -3.895704      0.350165      8.055506
  C      -5.149287      0.958744      8.592789
  C      -6.428070      0.704711      8.246986
  C      -6.900343     -0.234089      7.233000
  N      -6.130535     -1.282976      6.916708
  C      -6.588672     -2.125322      5.962237
  N      -7.756341     -2.099611      5.348210
  C      -8.577750     -1.055857      5.671541
  C      -9.851759     -0.970006      5.058138
  C     -10.679247      0.099879      5.326890
  C     -10.260914      1.128198      6.200716
  C      -9.030747      1.060434      6.822473
  C      -8.174676     -0.045521      6.599361
  H      -3.822686      6.383494      7.612818
  H      -3.940595      5.542201      9.187473
  H      -4.788405      3.510160      8.200979
  H      -6.266980      5.285791      6.442945
  H      -3.841381      0.601903      5.226453
  H      -7.637527      0.434515      2.686866
  H      -9.522306      1.997117      2.192049
  H      -9.596023      4.238309      3.290653
  H      -7.817383      4.896984      4.884656
  H      -1.681913      3.137233      3.027807
  H      -3.208661      2.524076      3.624678
  H      -0.640267      0.908316      4.153797
  H      -1.638579     -0.935022      3.133734
  H      -5.166051      2.027414      0.424502
  H      -7.181313     -2.084927      0.771058
  H      -6.704961     -4.161722      2.080046
  H      -4.677323     -4.291892      3.518983
  H      -3.124702     -2.376266      3.670655
  H      -3.565583     -0.416440      8.784652
  H      -4.099770     -0.217047      7.132623
  H      -4.983319      1.703038      9.378905
  H      -7.200138      1.285987      8.754197
  H      -5.905101     -2.933538      5.682745
  H     -10.138665     -1.761407      4.364063
  H     -11.656035      0.169126      4.844456
  H     -10.908683      1.989163      6.370752
  H      -8.710912      1.873654      7.473405
89
Coordinates from ORCA-job orca E -6144.738259944328
  N      -2.381872      4.808957      7.834646
  Mo     -2.784524      3.064634      6.887190
  N      -2.828268      1.368909      7.934148
  C      -1.548904      0.817143      8.381529
  C      -0.608000      1.950523      8.738764
  N      -0.596577      2.950280      7.646942
  C      -0.101912      4.269848      8.133594
  C      -1.266862      5.034665      8.720781
  C       0.206891      2.513582      6.476244
  C      -0.336723      3.229692      5.256743
  N      -1.782754      2.990633      5.151968
  H      -1.019323      6.111183      8.785765
  H      -1.492914      4.700242      9.755924
  H       0.288015      4.819311      7.267717
  H       0.725789      4.117216      8.845697
  H       0.193299      2.872134      4.359107
  H      -0.130865      4.314605      5.321250
  H       0.070764      1.430792      6.349712
  H       1.279287      2.715179      6.652885
  H      -1.690924      0.186829      9.277005
  H      -1.095715      0.160507      7.611574
  H      -0.985010      2.459396      9.637460
  H       0.415149      1.586986      8.943643
  C      -3.644016      5.467957      8.073511
  C      -4.470574      4.362261      7.466846
  C      -5.534815      4.503299      6.486233
  C      -5.641975      3.420207      5.663478
  N      -4.563153      2.510512      5.765957
  C      -4.693239      1.321785      5.126896
  N      -5.680025      0.912822      4.364055
  C      -6.704223      1.814331      4.132383
  C      -7.750762      1.449493      3.263209
  C      -8.791954      2.328924      3.003020
  C      -8.812649      3.595668      3.607349
  C      -7.791646      3.968485      4.475297
  C      -6.727092      3.092910      4.749434
  C      -2.138743      2.488671      3.814818
  C      -1.617682      1.088394      3.633211
  C      -2.188680      0.032678      3.022054
  C      -3.446072      0.030776      2.276726
  N      -3.795898      1.142569      1.626277
  C      -4.951032      1.104504      0.918056
  N      -5.768378      0.081578      0.750226
  C      -5.442734     -1.061963      1.424231
  C      -6.309630     -2.178684      1.346397
  C      -6.035350     -3.320507      2.070123
  C      -4.887608     -3.390928      2.892688
  C      -4.020346     -2.320258      2.977146
  C      -4.270475     -1.140000      2.237123
  C      -3.931426      0.408219      8.088890
  C      -5.200142      1.035995      8.563088
  C      -6.467040      0.758334      8.190872
  C      -6.899377     -0.232454      7.208877
  N      -6.106323     -1.281800      6.959749
  C      -6.527386     -2.174995      6.035372
  N      -7.679899     -2.198217      5.392556
  C      -8.526800     -1.156712      5.649967
  C      -9.786256     -1.121083      5.002398
  C     -10.638827     -0.055943      5.203095
  C     -10.260680      1.017320      6.040854
  C      -9.044844      1.000485      6.693670
  C      -8.162840     -0.097280      6.539479
  H      -3.726023      6.437894      7.547116
  H      -3.848817      5.651677      9.149380
  H      -4.736287      3.603667      8.239402
  H      -6.230871      5.342952      6.471778
  H      -3.854544      0.632444      5.256222
  H      -7.712960      0.463336      2.800412
  H      -9.597577      2.032271      2.328948
  H      -9.629924      4.288650      3.399458
  H      -7.812913      4.953378      4.945241
  H      -1.688084      3.147672      3.046142
  H      -3.217742      2.541543      3.647000
  H      -0.657782      0.894815      4.123248
  H      -1.677162     -0.929998      3.097434
  H      -5.224249      2.039348      0.418406
  H      -7.200999     -2.092198      0.723392
  H      -6.717145     -4.171217      2.025310
  H      -4.696809     -4.294326      3.474352
  H      -3.159244     -2.368293      3.645078
  H      -3.636800     -0.340835      8.850838
  H      -4.107763     -0.182695      7.175473
  H      -5.060028      1.812572      9.322651
  H      -7.257826      1.355557      8.647925
  H      -5.821396     -2.979638      5.805805
  H     -10.042160     -1.947699      4.338030
  H     -11.604983     -0.027100      4.695924
  H     -10.928076      1.872138      6.158053
  H      -8.755496      1.847985      7.314351
89
Coordinates from ORCA-job orca E -6144.738698864974
  N      -2.346125      4.843384      7.799096
  Mo     -2.766085      3.073527      6.904575
  N      -2.831917      1.403132      7.994935
  C      -1.556491      0.847894      8.450727
  C      -0.602631      1.978382      8.783145
  N      -0.582557      2.956019      7.671261
  C      -0.076480      4.281377      8.130228
  C      -1.236348      5.072760      8.691079
  C       0.218719      2.488448      6.510706
  C      -0.315798      3.182836      5.274486
  N      -1.764515      2.955324      5.175591
  H      -0.974504      6.146967      8.736426
  H      -1.475372      4.762858      9.730790
  H       0.324737      4.805991      7.254312
  H       0.744548      4.137910      8.851892
  H       0.211242      2.797100      4.386911
  H      -0.098480      4.266966      5.311084
  H       0.071698      1.405031      6.403850
  H       1.292581      2.682374      6.686100
  H      -1.702087      0.236271      9.358733
  H      -1.111908      0.171668      7.692641
  H      -0.973720      2.508404      9.672102
  H       0.417083      1.608974      8.994294
  C      -3.603577      5.521520      8.012743
  C      -4.437475      4.399064      7.447080
  C      -5.511180      4.513858      6.470380
  C      -5.628369      3.411890      5.674047
  N      -4.549273      2.503847      5.782910
  C      -4.678320      1.307018      5.158746
  N      -5.667300      0.887175      4.405493
  C      -6.699106      1.780980      4.173834
  C      -7.754287      1.398129      3.322801
  C      -8.807212      2.265195      3.068719
  C      -8.831958      3.536687      3.663020
  C      -7.802825      3.926718      4.513659
  C      -6.724336      3.064881      4.779285
  C      -2.134132      2.467730      3.835445
  C      -1.647774      1.055852      3.642997
  C      -2.243038      0.019549      3.020536
  C      -3.496930      0.054899      2.269507
  N      -3.822337      1.183684      1.635412
  C      -4.972915      1.177561      0.918237
  N      -5.806296      0.172111      0.726645
  C      -5.508151     -0.986812      1.386513
  C      -6.397600     -2.084280      1.288362
  C      -6.154423     -3.238783      2.002813
  C      -5.015317     -3.342661      2.833837
  C      -4.124866     -2.292936      2.935322
  C      -4.343872     -1.099066      2.206945
  C      -3.934132      0.441993      8.148216
  C      -5.218487      1.072978      8.571173
  C      -6.474553      0.773495      8.178719
  C      -6.877692     -0.249684      7.218453
  N      -6.074422     -1.301856      7.019501
  C      -6.466138     -2.221709      6.109016
  N      -7.597148     -2.265659      5.430434
  C      -8.454830     -1.221637      5.635502
  C      -9.687977     -1.201834      4.938725
  C     -10.550650     -0.136209      5.086117
  C     -10.209901      0.952415      5.920718
  C      -9.019239      0.953409      6.618194
  C      -8.125059     -0.140847      6.513627
  H      -3.677624      6.470500      7.448496
  H      -3.807500      5.748905      9.080197
  H      -4.699985      3.674868      8.252272
  H      -6.208149      5.352350      6.442892
  H      -3.836456      0.621394      5.292654
  H      -7.715520      0.406753      2.871559
  H      -9.619628      1.954330      2.409455
  H      -9.659466      4.219478      3.462198
  H      -7.828324      4.914897      4.976385
  H      -1.671687      3.122315      3.070342
  H      -3.212372      2.545152      3.671981
  H      -0.695951      0.832618      4.135750
  H      -1.756563     -0.956368      3.089042
  H      -5.226021      2.125374      0.432318
  H      -7.281484     -1.972195      0.658812
  H      -6.854420     -4.073729      1.944386
  H      -4.850295     -4.255426      3.408621
  H      -3.270659     -2.366841      3.609400
  H      -3.656946     -0.281658      8.941222
  H      -4.081737     -0.176708      7.248618
  H      -5.103065      1.877395      9.305325
  H      -7.278608      1.381962      8.595166
  H      -5.751786     -3.030408      5.923258
  H      -9.915894     -2.041737      4.280987
  H     -11.496684     -0.120780      4.541898
  H     -10.885319      1.805417      5.999245
  H      -8.756550      1.814382      7.232146
89
Coordinates from ORCA-job orca E -6144.739247584885
  N      -2.316310      4.865472      7.762543
  Mo     -2.755352      3.080333      6.906333
  N      -2.849719      1.429614      8.027075
  C      -1.583345      0.864246      8.494822
  C      -0.616807      1.986565      8.816227
  N      -0.579251      2.947016      7.690113
  C      -0.059702      4.273093      8.131745
  C      -1.214398      5.090820      8.665254
  C       0.222696      2.451004      6.542257
  C      -0.293311      3.134084      5.292129
  N      -1.744486      2.925514      5.188224
  H      -0.936250      6.161432      8.697765
  H      -1.470915      4.800628      9.706593
  H       0.358828      4.776716      7.251479
  H       0.750676      4.131298      8.865680
  H       0.233828      2.725565      4.414748
  H      -0.060370      4.215578      5.311642
  H       0.059708      1.368519      6.449375
  H       1.297968      2.631322      6.722663
  H      -1.739844      0.266596      9.410464
  H      -1.145191      0.171823      7.747396
  H      -0.986108      2.533784      9.695559
  H       0.396919      1.607551      9.038467
  C      -3.567449      5.563854      7.951283
  C      -4.411108      4.432994      7.417424
  C      -5.487776      4.530758      6.442338
  C      -5.606580      3.414826      5.667080
  N      -4.526726      2.509601      5.789909
  C      -4.653974      1.304140      5.181576
  N      -5.641662      0.872896      4.433315
  C      -6.675439      1.761547      4.189994
  C      -7.728326      1.365754      3.342402
  C      -8.782148      2.227619      3.074855
  C      -8.810849      3.505902      3.654108
  C      -7.784050      3.908471      4.501857
  C      -6.703172      3.052916      4.778619
  C      -2.115988      2.458525      3.841939
  C      -1.645364      1.043385      3.636065
  C      -2.250488      0.021962      2.998963
  C      -3.497794      0.083770      2.239549
  N      -3.802374      1.225009      1.618249
  C      -4.945643      1.243861      0.889835
  N      -5.790066      0.252227      0.676307
  C      -5.515518     -0.918347      1.326117
  C      -6.422050     -2.000191      1.209420
  C      -6.206523     -3.163464      1.918541
  C      -5.078458     -3.292553      2.761127
  C      -4.170192     -2.259945      2.878021
  C      -4.361273     -1.056842      2.156683
  C      -3.959815      0.478725      8.182027
  C      -5.248520      1.121409      8.570846
  C      -6.500169      0.801563      8.180850
  C      -6.889206     -0.250724      7.247151
  N      -6.064180     -1.288498      7.061986
  C      -6.438662     -2.230377      6.166854
  N      -7.569396     -2.307708      5.490489
  C      -8.449341     -1.279922      5.683310
  C      -9.684151     -1.297149      4.989498
  C     -10.572805     -0.252073      5.129440
  C     -10.257593      0.851955      5.953864
  C      -9.064930      0.889932      6.646807
  C      -8.142981     -0.181631      6.548226
  H      -3.628930      6.495052      7.357003
  H      -3.772293      5.827008      9.010174
  H      -4.676789      3.736602      8.247858
  H      -6.186270      5.367685      6.403108
  H      -3.810321      0.622974      5.321943
  H      -7.687593      0.368263      2.905088
  H      -9.592569      1.906837      2.417923
  H      -9.639803      4.184215      3.444207
  H      -7.812957      4.902111      4.952675
  H      -1.644533      3.117055      3.085974
  H      -3.193019      2.549656      3.677428
  H      -0.700826      0.801786      4.134469
  H      -1.778459     -0.961464      3.060132
  H      -5.179899      2.200796      0.413162
  H      -7.297206     -1.868415      0.571491
  H      -6.920154     -3.985837      1.847218
  H      -4.936516     -4.211386      3.332329
  H      -3.324749     -2.353410      3.560562
  H      -3.700306     -0.226808      8.997421
  H      -4.094273     -0.160311      7.294970
  H      -5.142688      1.948674      9.280671
  H      -7.310875      1.414760      8.576758
  H      -5.709698     -3.029288      5.994586
  H      -9.893306     -2.149355      4.341353
  H     -11.520424     -0.265499      4.587902
  H     -10.955024      1.687402      6.028556
  H      -8.823243      1.762644      7.252835
89
Coordinates from ORCA-job orca E -6144.739754495022
  N      -2.295539      4.887261      7.719330
  Mo     -2.744251      3.081518      6.910026
  N      -2.858369      1.452656      8.065823
  C      -1.598582      0.890444      8.554839
  C      -0.626026      2.012312      8.857611
  N      -0.575281      2.948652      7.711837
  C      -0.049470      4.280712      8.128485
  C      -1.202547      5.119875      8.631024
  C       0.230265      2.421083      6.580807
  C      -0.269637      3.082232      5.312333
  N      -1.722475      2.889987      5.205088
  H      -0.913850      6.188159      8.645971
  H      -1.473922      4.853368      9.675062
  H       0.381867      4.760630      7.240975
  H       0.752019      4.150163      8.874106
  H       0.256409      2.645165      4.447879
  H      -0.021508      4.160783      5.306863
  H       0.057047      1.338556      6.509755
  H       1.305692      2.594437      6.765910
  H      -1.764678      0.314611      9.482903
  H      -1.161573      0.177138      7.826436
  H      -0.996278      2.580114      9.723488
  H       0.383492      1.630937      9.093973
  C      -3.543988      5.598838      7.879178
  C      -4.393671      4.454966      7.382253
  C      -5.475367      4.525885      6.409770
  C      -5.593169      3.393345      5.658889
  N      -4.511000      2.494213      5.800687
  C      -4.627299      1.280667      5.205342
  N      -5.608363      0.834448      4.458030
  C      -6.648228      1.713073      4.201691
  C      -7.693275      1.300203      3.353120
  C      -8.751937      2.151181      3.070371
  C      -8.794537      3.433996      3.638602
  C      -7.775570      3.853089      4.487803
  C      -6.687575      3.010309      4.776325
  C      -2.096243      2.444470      3.853632
  C      -1.648287      1.024190      3.637261
  C      -2.264564      0.020994      2.981751
  C      -3.502497      0.114877      2.211572
  N      -3.784779      1.271013      1.607620
  C      -4.917760      1.317772      0.864573
  N      -5.771029      0.341107      0.620239
  C      -5.521411     -0.843535      1.254970
  C      -6.442566     -1.909797      1.109726
  C      -6.257614     -3.084001      1.809479
  C      -5.145730     -3.240549      2.668877
  C      -4.221450     -2.225482      2.809545
  C      -4.381724     -1.011195      2.099669
  C      -3.968286      0.501808      8.222394
  C      -5.262457      1.149163      8.584795
  C      -6.512296      0.813094      8.200729
  C      -6.898101     -0.255920      7.284119
  N      -6.063108     -1.285670      7.099578
  C      -6.430689     -2.235280      6.209198
  N      -7.559502     -2.322755      5.530750
  C      -8.450215     -1.304351      5.724550
  C      -9.684469     -1.334717      5.030282
  C     -10.589332     -0.305065      5.178941
  C     -10.292131      0.795289      6.014799
  C      -9.098744      0.847750      6.705394
  C      -8.158192     -0.206114      6.594285
  H      -3.596899      6.507801      7.251034
  H      -3.751105      5.901547      8.926883
  H      -4.657357      3.788510      8.237496
  H      -6.175497      5.360589      6.352958
  H      -3.781125      0.605949      5.358068
  H      -7.644206      0.297031      2.929792
  H      -9.555771      1.817662      2.411766
  H      -9.628580      4.103009      3.419317
  H      -7.816448      4.849863      4.930661
  H      -1.613299      3.103635      3.105802
  H      -3.171654      2.553315      3.687331
  H      -0.717044      0.758541      4.148535
  H      -1.812403     -0.971766      3.038739
  H      -5.133243      2.286533      0.403887
  H      -7.304916     -1.756510      0.459225
  H      -6.982979     -3.894048      1.717805
  H      -5.030037     -4.166279      3.234551
  H      -3.388901     -2.340423      3.504737
  H      -3.718633     -0.186635      9.055596
  H      -4.090410     -0.154710      7.346340
  H      -5.164173      1.996870      9.271059
  H      -7.324727      1.432043      8.583169
  H      -5.696348     -3.030547      6.041734
  H      -9.881216     -2.185827      4.376761
  H     -11.536544     -0.328592      4.637086
  H     -11.004740      1.616737      6.100641
  H      -8.873594      1.718097      7.320984
89
Coordinates from ORCA-job orca E -6144.740291460949
  N      -2.259854      4.918032      7.672824
  Mo     -2.728431      3.092072      6.918615
  N      -2.868047      1.490906      8.113390
  C      -1.618582      0.931074      8.630442
  C      -0.635073      2.049453      8.907983
  N      -0.566795      2.953081      7.736702
  C      -0.026915      4.289933      8.119510
  C      -1.172476      5.157701      8.589144
  C       0.237725      2.382377      6.626097
  C      -0.243606      3.014942      5.335903
  N      -1.698875      2.847933      5.228320
  H      -0.868075      6.221772      8.580805
  H      -1.456865      4.921437      9.637189
  H       0.416935      4.738734      7.221708
  H       0.767021      4.171003      8.875057
  H       0.276479      2.539971      4.487723
  H       0.027235      4.087716      5.297792
  H       0.047997      1.301090      6.585107
  H       1.314352      2.544264      6.813540
  H      -1.798653      0.384274      9.573564
  H      -1.184615      0.190688      7.927392
  H      -1.002898      2.645226      9.755979
  H       0.368232      1.662712      9.161056
  C      -3.500928      5.649052      7.802619
  C      -4.363681      4.497713      7.346741
  C      -5.447989      4.545529      6.376082
  C      -5.571110      3.393946      5.655294
  N      -4.491087      2.496426      5.819282
  C      -4.604909      1.271799      5.245620
  N      -5.583165      0.811456      4.503947
  C      -6.624253      1.684277      4.230997
  C      -7.666396      1.254219      3.388001
  C      -8.726338      2.097713      3.088151
  C      -8.773928      3.388975      3.636488
  C      -7.757893      3.824841      4.480731
  C      -6.666653      2.991037      4.783266
  C      -2.081840      2.416632      3.876299
  C      -1.676023      0.984017      3.659880
  C      -2.313729      0.004380      2.988694
  C      -3.535962      0.143710      2.201475
  N      -3.778641      1.317505      1.614623
  C      -4.895003      1.406667      0.850729
  N      -5.765580      0.456041      0.568646
  C      -5.558376     -0.745639      1.187335
  C      -6.503120     -1.785377      1.003713
  C      -6.366322     -2.973425      1.691156
  C      -5.280010     -3.171252      2.574518
  C      -4.331545     -2.184358      2.749265
  C      -4.442386     -0.956636      2.053377
  C      -3.980249      0.542255      8.265570
  C      -5.284601      1.192826      8.583450
  C      -6.525969      0.829540      8.195180
  C      -6.887946     -0.272152      7.307074
  N      -6.031640     -1.288598      7.149803
  C      -6.373612     -2.264341      6.277106
  N      -7.492880     -2.385608      5.588211
  C      -8.406312     -1.382816      5.756845
  C      -9.632901     -1.451641      5.052012
  C     -10.564099     -0.443079      5.180125
  C     -10.301893      0.673022      6.006447
  C      -9.115474      0.764291      6.705037
  C      -8.146839     -0.265489      6.612315
  H      -3.540851      6.533095      7.139241
  H      -3.707175      5.994811      8.837041
  H      -4.628452      3.865938      8.227007
  H      -6.143768      5.382171      6.296893
  H      -3.759219      0.600312      5.411687
  H      -7.615469      0.242553      2.985437
  H      -9.527516      1.751411      2.432944
  H      -9.610142      4.051525      3.406118
  H      -7.804345      4.827573      4.909381
  H      -1.580910      3.063690      3.129858
  H      -3.153794      2.555468      3.708440
  H      -0.764436      0.685491      4.188203
  H      -1.894497     -1.002487      3.047200
  H      -5.078105      2.390149      0.408091
  H      -7.345271     -1.599872      0.335312
  H      -7.110213     -3.762770      1.571199
  H      -5.204608     -4.105789      3.132247
  H      -3.519385     -2.331238      3.462424
  H      -3.749115     -0.126291      9.120214
  H      -4.081072     -0.134430      7.402183
  H      -5.204215      2.066825      9.238090
  H      -7.349156      1.452304      8.546372
  H      -5.623534     -3.049748      6.133928
  H      -9.803336     -2.315931      4.408397
  H     -11.505098     -0.495846      4.629605
  H     -11.037046      1.475643      6.079412
  H      -8.920407      1.646093      7.314399
89
Coordinates from ORCA-job orca E -6144.740859203378
  N      -2.222526      4.953701      7.617649
  Mo     -2.712412      3.104812      6.931276
  N      -2.870218      1.535642      8.168838
  C      -1.632929      0.990827      8.728072
  C      -0.641900      2.110510      8.969699
  N      -0.555440      2.967323      7.764020
  C      -0.000746      4.311246      8.098576
  C      -1.137142      5.209261      8.531393
  C       0.246202      2.341031      6.681766
  C      -0.217191      2.929371      5.364265
  N      -1.674115      2.793591      5.260022
  H      -0.818295      6.268413      8.490651
  H      -1.429494      5.011443      9.585526
  H       0.450926      4.720304      7.185638
  H       0.788942      4.211641      8.861315
  H       0.290888      2.404287      4.538110
  H       0.082585      3.992563      5.281040
  H       0.039390      1.262238      6.686199
  H       1.324337      2.493207      6.867786
  H      -1.830597      0.485769      9.690982
  H      -1.197311      0.215698      8.063946
  H      -1.008254      2.743402      9.791044
  H       0.354990      1.723184      9.245965
  C      -3.455944      5.702857      7.716237
  C      -4.335023      4.544897      7.310326
  C      -5.421006      4.562379      6.341212
  C      -5.549631      3.388591      5.656701
  N      -4.470321      2.495499      5.847084
  C      -4.579975      1.256293      5.303344
  N      -5.554770      0.775330      4.571457
  C      -6.597646      1.639567      4.275677
  C      -7.634559      1.185759      3.439800
  C      -8.696295      2.018435      3.116097
  C      -8.750849      3.320949      3.636327
  C      -7.739766      3.780244      4.474236
  C      -6.645028      2.959064      4.797788
  C      -2.070852      2.366738      3.912719
  C      -1.723647      0.917748      3.704419
  C      -2.393311     -0.030836      3.017822
  C      -3.593997      0.172600      2.212534
  N      -3.778449      1.368568      1.649706
  C      -4.872665      1.522219      0.864728
  N      -5.771153      0.614353      0.535381
  C      -5.625362     -0.609410      1.129428
  C      -6.604925     -1.606230      0.895043
  C      -6.537154     -2.812290      1.561203
  C      -5.488225     -3.071337      2.473501
  C      -4.505500     -2.128495      2.695003
  C      -4.543157     -0.885066      2.019690
  C      -3.982102      0.585580      8.313619
  C      -5.299040      1.238206      8.573378
  C      -6.527552      0.843308      8.173357
  C      -6.855954     -0.296232      7.319451
  N      -5.977279     -1.298610      7.206061
  C      -6.283128     -2.305036      6.354240
  N      -7.383774     -2.464590      5.643816
  C      -8.322544     -1.478985      5.772169
  C      -9.533336     -1.593072      5.046298
  C     -10.492504     -0.606954      5.137089
  C     -10.274096      0.530251      5.946140
  C      -9.102607      0.666733      6.662817
  C      -8.105116     -0.337848      6.606922
  H      -3.484971      6.556980      7.014311
  H      -3.657539      6.096711      8.734438
  H      -4.596693      3.952885      8.217201
  H      -6.110832      5.400918      6.232284
  H      -3.732040      0.591463      5.482303
  H      -7.578856      0.163504      3.064678
  H      -9.492816      1.655074      2.464485
  H      -9.589331      3.974507      3.389166
  H      -7.794607      4.790923      4.882743
  H      -1.551211      2.990761      3.159318
  H      -3.137257      2.542406      3.742648
  H      -0.839224      0.579263      4.254197
  H      -2.021606     -1.055682      3.081131
  H      -5.008152      2.525125      0.450306
  H      -7.418435     -1.372541      0.206560
  H      -7.307344     -3.568951      1.402354
  H      -5.471579     -4.015918      3.018730
  H      -3.724503     -2.321689      3.431494
  H      -3.773280     -0.062596      9.189184
  H      -4.056607     -0.112324      7.464144
  H      -5.241579      2.142807      9.187099
  H      -7.364425      1.471375      8.478762
  H      -5.515801     -3.079497      6.248446
  H      -9.669676     -2.474558      4.418034
  H     -11.420672     -0.693728      4.569468
  H     -11.032522      1.312912      5.992629
  H      -8.946090      1.563725      7.260561
89
Coordinates from ORCA-job orca E -6144.741433562792
  N      -2.194198      4.973135      7.574218
  Mo     -2.701521      3.109835      6.939615
  N      -2.880376      1.567817      8.209989
  C      -1.652113      1.028575      8.793047
  C      -0.652915      2.145615      9.011755
  N      -0.551425      2.969205      7.784805
  C       0.016898      4.315592      8.085695
  C      -1.111650      5.237870      8.488721
  C       0.245755      2.303501      6.722845
  C      -0.201578      2.861856      5.387530
  N      -1.660213      2.752723      5.281406
  H      -0.779385      6.291749      8.424933
  H      -1.412765      5.068895      9.545307
  H       0.477519      4.694320      7.164312
  H       0.801528      4.227772      8.855039
  H       0.298366      2.301795      4.579526
  H       0.120185      3.915831      5.273192
  H       0.022852      1.228392      6.754702
  H       1.325256      2.444635      6.909590
  H      -1.861729      0.551547      9.767755
  H      -1.218459      0.231515      8.154090
  H      -1.017410      2.803828      9.813785
  H       0.338744      1.756441      9.303897
  C      -3.420781      5.736704      7.648223
  C      -4.311192      4.573836      7.281754
  C      -5.403250      4.570154      6.318456
  C      -5.535979      3.383584      5.657460
  N      -4.459466      2.490240      5.863609
  C      -4.569183      1.243903      5.336985
  N      -5.543277      0.753248      4.611222
  C      -6.585919      1.613824      4.303699
  C      -7.623935      1.147420      3.476333
  C      -8.686901      1.974437      3.142598
  C      -8.741970      3.283593      3.645368
  C      -7.729858      3.755335      4.475298
  C      -6.633403      2.940170      4.807922
  C      -2.064036      2.344277      3.930530
  C      -1.752963      0.887793      3.717880
  C      -2.437788     -0.038567      3.016555
  C      -3.620440      0.200200      2.195121
  N      -3.772923      1.406733      1.644456
  C      -4.848394      1.589922      0.839724
  N      -5.752973      0.700788      0.476812
  C      -5.640458     -0.532929      1.058267
  C      -6.630227     -1.510871      0.789482
  C      -6.599189     -2.724302      1.445270
  C      -5.578563     -3.009526      2.381870
  C      -4.585142     -2.086342      2.635166
  C      -4.584656     -0.837019      1.970363
  C      -3.993468      0.619101      8.354645
  C      -5.317363      1.270668      8.577263
  C      -6.538793      0.854824      8.176276
  C      -6.850406     -0.308316      7.349394
  N      -5.956782     -1.299761      7.256859
  C      -6.241264     -2.322023      6.417074
  N      -7.332689     -2.506641      5.698730
  C      -8.288187     -1.534768      5.808821
  C      -9.490849     -1.676489      5.074188
  C     -10.467788     -0.706315      5.147793
  C     -10.275591      0.441744      5.948012
  C      -9.111520      0.606033      6.670912
  C      -8.095716     -0.380714      6.631884
  H      -3.442212      6.566005      6.917041
  H      -3.617949      6.167492      8.652125
  H      -4.570407      4.014145      8.209829
  H      -6.091568      5.407734      6.193855
  H      -3.724319      0.579482      5.531047
  H      -7.568562      0.119650      3.116524
  H      -9.484079      1.601471      2.497272
  H      -9.581462      3.933017      3.390813
  H      -7.785417      4.771412      4.870129
  H      -1.526757      2.958672      3.181510
  H      -3.124880      2.547574      3.757488
  H      -0.885827      0.523232      4.278637
  H      -2.094334     -1.073227      3.080270
  H      -4.957949      2.600706      0.435871
  H      -7.422418     -1.256520      0.083716
  H      -7.377323     -3.466643      1.259227
  H      -5.593674     -3.957573      2.920859
  H      -3.826559     -2.298489      3.389974
  H      -3.799080     -0.010528      9.247135
  H      -4.050866     -0.097439      7.518642
  H      -5.273019      2.195341      9.161281
  H      -7.381931      1.488181      8.451933
  H      -5.461946     -3.086779      6.328809
  H      -9.607213     -2.566777      4.454334
  H     -11.390220     -0.815125      4.574550
  H     -11.048042      1.211288      5.981907
  H      -8.976268      1.511807      7.260465
89
Coordinates from ORCA-job orca E -6144.741949052815
  N      -2.173374      4.989924      7.541298
  Mo     -2.693451      3.111974      6.962685
  N      -2.879568      1.598230      8.263226
  C      -1.657681      1.074670      8.870600
  C      -0.656366      2.196163      9.057885
  N      -0.545741      2.978573      7.806789
  C       0.035410      4.328457      8.061591
  C      -1.084213      5.272573      8.442587
  C       0.241847      2.270938      6.763873
  C      -0.198668      2.784596      5.410284
  N      -1.658556      2.704843      5.310883
  H      -0.743141      6.321087      8.347425
  H      -1.381914      5.135252      9.504058
  H       0.493484      4.672824      7.126482
  H       0.823626      4.257148      8.828980
  H       0.286616      2.182107      4.624500
  H       0.144060      3.826166      5.252291
  H       0.009286      1.199570      6.831199
  H       1.323880      2.407295      6.941274
  H      -1.877064      0.632163      9.859270
  H      -1.221070      0.255684      8.262715
  H      -1.019130      2.883627      9.835585
  H       0.333246      1.812297      9.364929
  C      -3.393969      5.763240      7.603720
  C      -4.294224      4.594942      7.280268
  C      -5.395632      4.570644      6.324379
  C      -5.531056      3.379502      5.673024
  N      -4.462792      2.476841      5.888244
  C      -4.578453      1.230134      5.367670
  N      -5.551649      0.741763      4.639582
  C      -6.586587      1.607541      4.323151
  C      -7.627594      1.142630      3.497851
  C      -8.686119      1.973410      3.159566
  C      -8.733969      3.285358      3.654282
  C      -7.719168      3.755923      4.482445
  C      -6.628633      2.936313      4.821986
  C      -2.078171      2.309056      3.957829
  C      -1.811564      0.843792      3.739430
  C      -2.519106     -0.056001      3.027813
  C      -3.684588      0.220563      2.193688
  N      -3.805937      1.435591      1.651377
  C      -4.863163      1.644924      0.827910
  N      -5.769970      0.770969      0.431808
  C      -5.687277     -0.471303      1.000531
  C      -6.677347     -1.437029      0.693870
  C      -6.674723     -2.658327      1.336424
  C      -5.687326     -2.961510      2.303563
  C      -4.694138     -2.049580      2.594533
  C      -4.660885     -0.797144      1.938335
  C      -3.989912      0.646133      8.408356
  C      -5.322331      1.290980      8.587828
  C      -6.532973      0.855740      8.176134
  C      -6.822537     -0.329748      7.379598
  N      -5.918978     -1.316316      7.328121
  C      -6.172065     -2.352567      6.498272
  N      -7.243060     -2.561097      5.756694
  C      -8.212202     -1.598559      5.829235
  C      -9.395010     -1.764389      5.067148
  C     -10.382126     -0.801064      5.097644
  C     -10.219162      0.364279      5.879363
  C      -9.073956      0.551956      6.626380
  C      -8.049759     -0.426660      6.633886
  H      -3.418863      6.570079      6.847822
  H      -3.578555      6.225540      8.595736
  H      -4.542465      4.065318      8.229205
  H      -6.082863      5.407224      6.189226
  H      -3.743995      0.557916      5.581980
  H      -7.576562      0.114222      3.139750
  H      -9.485407      1.601724      2.516081
  H      -9.568208      3.939145      3.393575
  H      -7.767438      4.775889      4.868253
  H      -1.521673      2.906689      3.208659
  H      -3.130733      2.546516      3.783088
  H      -0.958882      0.452169      4.304548
  H      -2.209749     -1.101664      3.092668
  H      -4.949372      2.662354      0.431777
  H      -7.446486     -1.167671     -0.031237
  H      -7.451972     -3.392539      1.116089
  H      -5.729973     -3.912027      2.836432
  H      -3.962465     -2.271107      3.373043
  H      -3.807637      0.032440      9.314562
  H      -4.026545     -0.089437      7.585964
  H      -5.294061      2.236357      9.138930
  H      -7.382039      1.500836      8.404248
  H      -5.380675     -3.107754      6.439953
  H      -9.488113     -2.667184      4.461703
  H     -11.290828     -0.931003      4.506788
  H     -10.996105      1.130224      5.876283
  H      -8.957945      1.473154      7.195793
89
Coordinates from ORCA-job orca E -6144.742465877517
  N      -2.150389      5.001824      7.495000
  Mo     -2.687168      3.114440      6.961809
  N      -2.895910      1.627802      8.292510
  C      -1.683161      1.110306      8.923514
  C      -0.672906      2.226553      9.091003
  N      -0.547325      2.977356      7.821959
  C       0.047017      4.327119      8.047479
  C      -1.064684      5.292055      8.398344
  C       0.236967      2.234706      6.802147
  C      -0.185968      2.723288      5.433603
  N      -1.646634      2.667164      5.326112
  H      -0.710868      6.334358      8.282813
  H      -1.371410      5.181842      9.460640
  H       0.514409      4.644009      7.106900
  H       0.829521      4.266682      8.821634
  H       0.293120      2.091589      4.666838
  H       0.177452      3.754076      5.250805
  H      -0.011913      1.168643      6.892144
  H       1.319220      2.359645      6.985149
  H      -1.914125      0.694982      9.921482
  H      -1.249541      0.271642      8.340448
  H      -1.034547      2.935401      9.849911
  H       0.310809      1.841163      9.414322
  C      -3.365129      5.787149      7.532108
  C      -4.275004      4.616491      7.243193
  C      -5.380155      4.573164      6.292233
  C      -5.516423      3.367488      5.669568
  N      -4.443971      2.474804      5.902227
  C      -4.551719      1.217957      5.404531
  N      -5.521306      0.710812      4.684968
  C      -6.562630      1.564263      4.354457
  C      -7.599559      1.077914      3.536975
  C      -8.663760      1.895137      3.183838
  C      -8.721967      3.214480      3.657557
  C      -7.710965      3.706346      4.477946
  C      -6.613565      2.901085      4.830220
  C      -2.062290      2.292201      3.967505
  C      -1.824662      0.823211      3.745233
  C      -2.539561     -0.056210      3.015719
  C      -3.682834      0.251601      2.162936
  N      -3.769410      1.474453      1.632223
  C      -4.802653      1.712201      0.786510
  N      -5.714972      0.859578      0.358559
  C      -5.670129     -0.389332      0.917266
  C      -6.672445     -1.331889      0.578705
  C      -6.713190     -2.556170      1.214288
  C      -5.758028     -2.886022      2.204703
  C      -4.751691     -1.998614      2.524878
  C      -4.673875     -0.743678      1.876732
  C      -4.007775      0.678330      8.439990
  C      -5.343731      1.322587      8.592977
  C      -6.550661      0.869903      8.187965
  C      -6.830055     -0.331304      7.410618
  N      -5.911934     -1.304384      7.360600
  C      -6.154864     -2.351428      6.540539
  N      -7.225848     -2.580157      5.804554
  C      -8.210214     -1.633405      5.878658
  C      -9.394969     -1.823190      5.125468
  C     -10.401236     -0.880447      5.163622
  C     -10.256557      0.287253      5.945353
  C      -9.108781      0.499654      6.681642
  C      -8.063586     -0.456452      6.679030
  H      -3.381784      6.569714      6.751055
  H      -3.547237      6.282205      8.508629
  H      -4.523218      4.118106      8.209549
  H      -6.068324      5.406440      6.141473
  H      -3.711348      0.556819      5.627204
  H      -7.542075      0.043173      3.198421
  H      -9.459754      1.506754      2.546192
  H      -9.561300      3.857443      3.386582
  H      -7.767552      4.731921      4.847375
  H      -1.487005      2.883140      3.227525
  H      -3.108507      2.553133      3.785824
  H      -0.993166      0.408642      4.325380
  H      -2.255793     -1.108854      3.080187
  H      -4.860579      2.735187      0.400567
  H      -7.417095     -1.041650     -0.163889
  H      -7.500336     -3.272031      0.970130
  H      -5.837277     -3.836676      2.733015
  H      -4.046445     -2.239590      3.321950
  H      -3.837354      0.082536      9.360580
  H      -4.032565     -0.072640      7.631141
  H      -5.323549      2.281801      9.119854
  H      -7.404065      1.513463      8.402363
  H      -5.353871     -3.096950      6.485079
  H      -9.474973     -2.728649      4.522078
  H     -11.311687     -1.029226      4.580060
  H     -11.050246      1.035752      5.950848
  H      -9.008959      1.422511      7.251441
89
Coordinates from ORCA-job orca E -6144.742945815195
  N      -2.135415      5.008044      7.457420
  Mo     -2.682861      3.111298      6.970980
  N      -2.903100      1.652222      8.330181
  C      -1.696671      1.147208      8.982404
  C      -0.682109      2.263095      9.124986
  N      -0.547489      2.979903      7.837434
  C       0.056847      4.330638      8.028670
  C      -1.048047      5.312617      8.354277
  C       0.231269      2.204464      6.838017
  C      -0.181435      2.661689      5.455824
  N      -1.642123      2.625745      5.346469
  H      -0.686228      6.349008      8.213542
  H      -1.356380      5.231009      9.418535
  H       0.526899      4.619949      7.080577
  H       0.838488      4.284224      8.804628
  H       0.288910      2.000442      4.708642
  H       0.198622      3.680943      5.244033
  H      -0.028539      1.143477      6.953446
  H       1.314357      2.322854      7.020276
  H      -1.935858      0.761130      9.990189
  H      -1.263275      0.290667      8.425797
  H      -1.042814      2.993553      9.863525
  H       0.298420      1.881422      9.462334
  C      -3.346035      5.800182      7.477749
  C      -4.263069      4.626008      7.225681
  C      -5.374157      4.565202      6.281220
  C      -5.511998      3.352991      5.673079
  N      -4.442356      2.459302      5.916689
  C      -4.550721      1.198656      5.429221
  N      -5.517830      0.687731      4.709135
  C      -6.556436      1.540495      4.368096
  C      -7.591206      1.049975      3.550269
  C      -8.654268      1.865432      3.189456
  C      -8.713846      3.187115      3.655882
  C      -7.704614      3.683362      4.475989
  C      -6.608348      2.880115      4.835648
  C      -2.059075      2.268852      3.982893
  C      -1.847877      0.797653      3.748456
  C      -2.573083     -0.060160      3.003582
  C      -3.701506      0.276191      2.141950
  N      -3.760601      1.504392      1.618843
  C      -4.777961      1.765229      0.760502
  N      -5.699061      0.931007      0.315063
  C      -5.684884     -0.321211      0.867951
  C      -6.699232     -1.244007      0.511109
  C      -6.770563     -2.470466      1.139888
  C      -5.834440     -2.823098      2.140701
  C      -4.816112     -1.955854      2.477989
  C      -4.707430     -0.698961      1.837720
  C      -4.013408      0.701694      8.481054
  C      -5.354049      1.341384      8.606447
  C      -6.554377      0.873791      8.198421
  C      -6.819274     -0.341496      7.439232
  N      -5.892908     -1.307999      7.410029
  C      -6.118365     -2.365852      6.599442
  N      -7.178268     -2.611070      5.852828
  C      -8.172536     -1.673358      5.908261
  C      -9.347703     -1.882315      5.145222
  C     -10.364918     -0.950807      5.166149
  C     -10.240795      0.224716      5.939684
  C      -9.102034      0.456274      6.684164
  C      -8.045943     -0.487558      6.699348
  H      -3.362472      6.559593      6.674306
  H      -3.521088      6.324630      8.440101
  H      -4.505901      4.155807      8.207893
  H      -6.063120      5.396052      6.120709
  H      -3.715512      0.536007      5.667813
  H      -7.533845      0.013353      3.217768
  H      -9.448684      1.473626      2.551931
  H      -9.552229      3.828815      3.379091
  H      -7.761749      4.711174      4.839060
  H      -1.469677      2.855126      3.250201
  H      -3.099462      2.551346      3.799065
  H      -1.031605      0.361279      4.334371
  H      -2.312977     -1.119117      3.063752
  H      -4.811901      2.790773      0.377390
  H      -7.428893     -0.936541     -0.239378
  H      -7.566907     -3.170789      0.880799
  H      -5.937823     -3.774518      2.663557
  H      -4.124548     -2.213963      3.281384
  H      -3.851837      0.120474      9.412626
  H      -4.026057     -0.062178      7.684383
  H      -5.344318      2.312439      9.111641
  H      -7.412292      1.518449      8.389672
  H      -5.311835     -3.106644      6.563620
  H      -9.411998     -2.793779      4.549048
  H     -11.268390     -1.115203      4.575941
  H     -11.042960      0.964105      5.932400
  H      -9.018300      1.385048      7.246897
89
Coordinates from ORCA-job orca E -6144.743220884533
  N      -2.164393      4.991397      7.444926
  Mo     -2.691811      3.087694      6.976851
  N      -2.903158      1.650855      8.356168
  C      -1.695920      1.175631      9.031768
  C      -0.692738      2.304762      9.147608
  N      -0.558284      2.991964      7.842125
  C       0.040838      4.348838      8.002474
  C      -1.066628      5.328901      8.319053
  C       0.224710      2.203982      6.859278
  C      -0.183670      2.635107      5.465357
  N      -1.643906      2.593424      5.351273
  H      -0.716872      6.364437      8.146336
  H      -1.361391      5.272727      9.388868
  H       0.500379      4.625643      7.044317
  H       0.830323      4.322492      8.771536
  H       0.291158      1.954873      4.737208
  H       0.194741      3.649708      5.228607
  H      -0.026532      1.142393      6.988853
  H       1.305756      2.334023      7.043108
  H      -1.937874      0.821278     10.050563
  H      -1.249600      0.307259      8.503767
  H      -1.067693      3.048052      9.865970
  H       0.289992      1.943383      9.500987
  C      -3.383661      5.768744      7.472430
  C      -4.287575      4.577322      7.243549
  C      -5.399381      4.505256      6.296913
  C      -5.517259      3.300609      5.678032
  N      -4.433712      2.422547      5.915218
  C      -4.525230      1.163683      5.419271
  N      -5.476269      0.650222      4.678018
  C      -6.520245      1.493822      4.330831
  C      -7.535453      1.006314      3.486427
  C      -8.605090      1.814464      3.126116
  C      -8.691102      3.126543      3.615428
  C      -7.698871      3.621018      4.457164
  C      -6.598204      2.825014      4.818684
  C      -2.033409      2.247782      3.975379
  C      -1.803177      0.785917      3.705187
  C      -2.528521     -0.058336      2.943315
  C      -3.667530      0.288788      2.098595
  N      -3.710196      1.515182      1.572247
  C      -4.729414      1.788849      0.722726
  N      -5.682153      0.976465      0.307156
  C      -5.695960     -0.267358      0.873481
  C      -6.745330     -1.162010      0.546640
  C      -6.837319     -2.382546      1.182675
  C      -5.884716     -2.761696      2.156420
  C      -4.833577     -1.922255      2.467812
  C      -4.704141     -0.666885      1.821359
  C      -4.000407      0.688348      8.514908
  C      -5.343440      1.321557      8.642442
  C      -6.543801      0.860086      8.226199
  C      -6.812734     -0.339962      7.444191
  N      -5.893006     -1.314082      7.402873
  C      -6.130828     -2.364178      6.584793
  N      -7.196489     -2.596202      5.840198
  C      -8.184742     -1.654276      5.911487
  C      -9.369166     -1.852753      5.161260
  C     -10.383470     -0.919949      5.204049
  C     -10.247982      0.249026      5.986502
  C      -9.099939      0.471115      6.719275
  C      -8.046143     -0.475532      6.713415
  H      -3.421371      6.519693      6.661762
  H      -3.552288      6.302422      8.431353
  H      -4.523930      4.117033      8.234459
  H      -6.106074      5.323591      6.146845
  H      -3.681966      0.512213      5.662146
  H      -7.461148     -0.021162      3.130651
  H      -9.385718      1.422940      2.471498
  H      -9.533911      3.761831      3.338037
  H      -7.771366      4.642491      4.834755
  H      -1.432795      2.852241      3.267278
  H      -3.075066      2.529616      3.785373
  H      -0.986273      0.340506      4.283101
  H      -2.273001     -1.118524      2.982944
  H      -4.743042      2.806549      0.321574
  H      -7.486675     -0.837134     -0.185396
  H      -7.660820     -3.058038      0.945419
  H      -5.997049     -3.711705      2.681783
  H      -4.128641     -2.200700      3.249316
  H      -3.830269      0.108854      9.446080
  H      -4.009122     -0.073361      7.722503
  H      -5.337229      2.285999      9.161791
  H      -7.401044      1.499278      8.433622
  H      -5.334982     -3.116794      6.546559
  H      -9.443475     -2.758093      4.557250
  H     -11.294857     -1.079044      4.625265
  H     -11.047994      0.990164      5.997366
  H      -9.003882      1.394158      7.290269
89
Coordinates from ORCA-job orca E -6144.744088825988
  N      -2.134499      5.006068      7.388838
  Mo     -2.677462      3.092637      6.981791
  N      -2.910481      1.693186      8.394790
  C      -1.716371      1.235154      9.102746
  C      -0.705636      2.360222      9.189447
  N      -0.553798      2.999188      7.861597
  C       0.060715      4.353892      7.977948
  C      -1.036162      5.358849      8.255597
  C       0.223276      2.162391      6.913385
  C      -0.166995      2.546912      5.501706
  N      -1.626156      2.538716      5.380807
  H      -0.672125      6.383491      8.050455
  H      -1.336118      5.342495      9.325138
  H       0.527454      4.590522      7.012998
  H       0.846440      4.344027      8.751113
  H       0.293174      1.825720      4.804217
  H       0.239846      3.540851      5.227098
  H      -0.047744      1.111336      7.081894
  H       1.305623      2.279850      7.099248
  H      -1.974710      0.919438     10.130187
  H      -1.270687      0.344469      8.612863
  H      -1.078226      3.132917      9.877202
  H       0.270598      2.002465      9.563687
  C      -3.345549      5.795483      7.387112
  C      -4.262888      4.607292      7.200501
  C      -5.375323      4.514551      6.257747
  C      -5.500890      3.294296      5.669021
  N      -4.424919      2.412106      5.929054
  C      -4.524478      1.143427      5.460059
  N      -5.479866      0.618857      4.733442
  C      -6.519412      1.460638      4.370804
  C      -7.541819      0.957246      3.545163
  C      -8.608813      1.761832      3.170039
  C      -8.685587      3.085612      3.627808
  C      -7.686786      3.595363      4.452639
  C      -6.587661      2.803583      4.826616
  C      -2.027989      2.205365      4.006696
  C      -1.867573      0.731766      3.752198
  C      -2.617224     -0.079447      2.979596
  C      -3.716138      0.320304      2.106769
  N      -3.695711      1.551862      1.589169
  C      -4.676692      1.872342      0.711133
  N      -5.640982      1.097410      0.251570
  C      -5.716088     -0.151664      0.803796
  C      -6.781020     -1.008188      0.428689
  C      -6.937769     -2.230213      1.049791
  C      -6.038831     -2.646792      2.059264
  C      -4.973410     -1.845484      2.417281
  C      -4.776526     -0.592747      1.785446
  C      -4.008365      0.729649      8.552747
  C      -5.358549      1.355799      8.639848
  C      -6.546557      0.869519      8.216308
  C      -6.788056     -0.358876      7.470201
  N      -5.849144     -1.315100      7.465221
  C      -6.054064     -2.389161      6.670382
  N      -7.102484     -2.659129      5.915084
  C      -8.111021     -1.736489      5.950858
  C      -9.279848     -1.977291      5.188469
  C     -10.314317     -1.065660      5.194767
  C     -10.214129      0.123615      5.950699
  C      -9.081197      0.387292      6.693477
  C      -8.008117     -0.536621      6.725754
  H      -3.374695      6.515857      6.548897
  H      -3.509386      6.366029      8.325290
  H      -4.499779      4.183265      8.204595
  H      -6.075384      5.333930      6.084809
  H      -3.689485      0.488995      5.722173
  H      -7.475579     -0.080112      3.217068
  H      -9.394797      1.358666      2.528983
  H      -9.527101      3.718080      3.340004
  H      -7.753767      4.625271      4.807842
  H      -1.400969      2.777424      3.293980
  H      -3.054743      2.532057      3.811633
  H      -1.084473      0.251378      4.348495
  H      -2.412532     -1.150843      3.027698
  H      -4.640006      2.894958      0.322504
  H      -7.481776     -0.653018     -0.328511
  H      -7.773084     -2.876612      0.774557
  H      -6.204900     -3.593742      2.575077
  H      -4.309324     -2.151276      3.225381
  H      -3.852235      0.169399      9.497821
  H      -3.998128     -0.049774      7.774329
  H      -5.369478      2.335857      9.128195
  H      -7.413238      1.507968      8.384583
  H      -5.241421     -3.124024      6.659445
  H      -9.326377     -2.898089      4.605253
  H     -11.213625     -1.257135      4.606658
  H     -11.029706      0.847651      5.932923
  H      -9.014375      1.325194      7.243622
89
Coordinates from ORCA-job orca E -6144.744663328982
  N      -2.112672      5.009401      7.342757
  Mo     -2.671282      3.091938      6.983735
  N      -2.921053      1.726744      8.425438
  C      -1.740602      1.291744      9.169273
  C      -0.722805      2.412361      9.224535
  N      -0.555335      2.998765      7.874515
  C       0.077618      4.347576      7.944679
  C      -1.005089      5.376346      8.191342
  C       0.211846      2.114170      6.961554
  C      -0.160502      2.458644      5.534498
  N      -1.617823      2.487430      5.403336
  H      -0.628861      6.388679      7.950108
  H      -1.300850      5.400405      9.261808
  H       0.544963      4.544265      6.971586
  H       0.864860      4.352022      8.716285
  H       0.282195      1.699613      4.866055
  H       0.277958      3.429590      5.226710
  H      -0.082437      1.076031      7.165784
  H       1.295521      2.215180      7.150438
  H      -2.015989      1.018590     10.204448
  H      -1.294421      0.378846      8.722680
  H      -1.094687      3.214330      9.878282
  H       0.246968      2.061700      9.621450
  C      -3.317389      5.807990      7.329214
  C      -4.247841      4.624831      7.178477
  C      -5.362951      4.519983      6.239988
  C      -5.492792      3.291430      5.667852
  N      -4.419455      2.410567      5.943401
  C      -4.520883      1.134564      5.495075
  N      -5.477988      0.599832      4.778947
  C      -6.516340      1.437935      4.402450
  C      -7.539581      0.922825      3.585191
  C      -8.603018      1.724356      3.193674
  C      -8.676394      3.055986      3.628263
  C      -7.677640      3.577057      4.446274
  C      -6.580804      2.789193      4.834345
  C      -2.026329      2.173854      4.027398
  C      -1.907906      0.697088      3.767197
  C      -2.674591     -0.087612      2.983132
  C      -3.755261      0.349986      2.105249
  N      -3.699734      1.585988      1.599339
  C      -4.665777      1.941873      0.717676
  N      -5.646037      1.196891      0.242003
  C      -5.754323     -0.056693      0.779338
  C      -6.836118     -0.883008      0.385236
  C      -7.026850     -2.108235      0.990493
  C      -6.148892     -2.555508      2.005847
  C      -5.068217     -1.783990      2.381730
  C      -4.834604     -0.531760      1.763983
  C      -4.019115      0.762431      8.583116
  C      -5.374650      1.382390      8.633201
  C      -6.551163      0.874519      8.203268
  C      -6.767150     -0.377279      7.488996
  N      -5.816622     -1.320314      7.523789
  C      -5.990173     -2.412597      6.747089
  N      -7.016927     -2.709655      5.972562
  C      -8.038465     -1.800354      5.969075
  C      -9.186402     -2.070524      5.184883
  C     -10.234257     -1.174343      5.153335
  C     -10.167770      0.028017      5.891573
  C      -9.054782      0.320883      6.653625
  C      -7.969369     -0.586340      6.724523
  H      -3.345864      6.506754      6.472796
  H      -3.470075      6.403753      8.253449
  H      -4.485284      4.230465      8.192452
  H      -6.061841      5.338531      6.058019
  H      -3.686313      0.483032      5.766111
  H      -7.477806     -0.121094      3.277874
  H      -9.389029      1.312493      2.558191
  H      -9.515816      3.685667      3.328351
  H      -7.743128      4.612679      4.784795
  H      -1.385466      2.733250      3.316726
  H      -3.043584      2.527519      3.832646
  H      -1.142413      0.191327      4.365384
  H      -2.498608     -1.164888      3.023397
  H      -4.600206      2.968155      0.341447
  H      -7.521303     -0.502745     -0.373682
  H      -7.874999     -2.731641      0.700959
  H      -6.342840     -3.501780      2.512494
  H      -4.421687     -2.111870      3.196015
  H      -3.877278      0.221865      9.541504
  H      -3.991070     -0.033421      7.820338
  H      -5.400278      2.375508      9.092912
  H      -7.426129      1.510741      8.335039
  H      -5.166588     -3.134595      6.765600
  H      -9.206851     -3.001596      4.616576
  H     -11.117548     -1.388324      4.548721
  H     -10.993405      0.739405      5.844315
  H      -9.013748      1.268684      7.188740
89
Coordinates from ORCA-job orca E -6144.745089431008
  N      -2.107363      5.005878      7.306461
  Mo     -2.666718      3.083687      6.983661
  N      -2.928458      1.750516      8.451153
  C      -1.758913      1.343834      9.228045
  C      -0.738032      2.463079      9.252226
  N      -0.559496      3.002995      7.884037
  C       0.083118      4.348256      7.913150
  C      -0.991256      5.391195      8.135169
  C       0.203575      2.083117      7.002623
  C      -0.153976      2.389529      5.562434
  N      -1.608701      2.443192      5.420448
  H      -0.610394      6.393262      7.860576
  H      -1.280354      5.449867      9.206119
  H       0.547586      4.512582      6.932776
  H       0.873747      4.369293      8.681076
  H       0.277019      1.599617      4.922251
  H       0.307219      3.339954      5.224373
  H      -0.104729      1.055359      7.235775
  H       1.287065      2.176427      7.196013
  H      -2.048547      1.112229     10.269493
  H      -1.310074      0.412543      8.824232
  H      -1.113484      3.288113      9.874419
  H       0.227685      2.124832      9.669138
  C      -3.311960      5.803857      7.285642
  C      -4.243983      4.618294      7.162138
  C      -5.356618      4.499590      6.221287
  C      -5.481853      3.265754      5.658417
  N      -4.407575      2.388074      5.942923
  C      -4.506514      1.107683      5.505454
  N      -5.461923      0.566200      4.792563
  C      -6.500206      1.400441      4.406473
  C      -7.519969      0.878193      3.589635
  C      -8.580683      1.676858      3.184900
  C      -8.656182      3.012236      3.607234
  C      -7.661867      3.539906      4.426421
  C      -6.566657      2.755467      4.825843
  C      -2.014879      2.149462      4.039802
  C      -1.926479      0.672581      3.767856
  C      -2.704856     -0.087662      2.971801
  C      -3.770606      0.382240      2.092175
  N      -3.684060      1.620148      1.595032
  C      -4.638739      2.005244      0.713142
  N      -5.637001      1.288279      0.231298
  C      -5.776534      0.034060      0.759646
  C      -6.878200     -0.762235      0.358538
  C      -7.098721     -1.987593      0.953229
  C      -6.232739     -2.463574      1.966019
  C      -5.133991     -1.721596      2.348855
  C      -4.869428     -0.470858      1.741207
  C      -4.022382      0.781013      8.612274
  C      -5.382133      1.394092      8.639180
  C      -6.551849      0.872803      8.206274
  C      -6.755283     -0.391720      7.509891
  N      -5.799662     -1.328169      7.566099
  C      -5.959212     -2.431609      6.801849
  N      -6.975372     -2.742859      6.018732
  C      -8.003294     -1.840896      5.995804
  C      -9.141341     -2.126941      5.202981
  C     -10.197443     -1.241019      5.156069
  C     -10.149321     -0.033857      5.887620
  C      -9.045095      0.275732      6.655835
  C      -7.950954     -0.619840      6.740754
  H      -3.345798      6.486944      6.416722
  H      -3.458977      6.416416      8.199691
  H      -4.483166      4.248877      8.183932
  H      -6.058989      5.313611      6.032369
  H      -3.672325      0.458544      5.784935
  H      -7.458471     -0.168879      3.293250
  H      -9.362870      1.259586      2.548169
  H      -9.493867      3.639387      3.297292
  H      -7.728991      4.578201      4.756314
  H      -1.360291      2.702862      3.336825
  H      -3.024652      2.523516      3.844103
  H      -1.177130      0.144226      4.366633
  H      -2.553019     -1.168981      3.001639
  H      -4.547075      3.031829      0.343001
  H      -7.553366     -0.359451     -0.397651
  H      -7.961680     -2.587784      0.658332
  H      -6.448271     -3.409429      2.464893
  H      -4.497551     -2.070970      3.161917
  H      -3.886964      0.258353      9.581374
  H      -3.980123     -0.027053      7.863227
  H      -5.417614      2.395194      9.080336
  H      -7.431529      1.506184      8.319142
  H      -5.133336     -3.150119      6.839330
  H      -9.148459     -3.062422      4.641622
  H     -11.073182     -1.467319      4.544988
  H     -10.981873      0.668647      5.829411
  H      -9.017586      1.227394      7.184935
89
Coordinates from ORCA-job orca E -6144.745454347491
  N      -2.107991      4.995622      7.301912
  Mo     -2.660730      3.073902      6.978452
  N      -2.930774      1.754474      8.455320
  C      -1.769468      1.364686      9.253673
  C      -0.746653      2.482832      9.263417
  N      -0.560747      2.998925      7.887273
  C       0.087086      4.341224      7.895702
  C      -0.981412      5.391101      8.110761
  C       0.201402      2.061730      7.022182
  C      -0.144358      2.354222      5.575677
  N      -1.596262      2.426212      5.421241
  H      -0.600216      6.386752      7.813965
  H      -1.260086      5.470071      9.183233
  H       0.546759      4.489194      6.910817
  H       0.882574      4.368931      8.658543
  H       0.280758      1.551531      4.947295
  H       0.333178      3.293286      5.227977
  H      -0.116930      1.040086      7.267719
  H       1.284385      2.147844      7.221365
  H      -2.069546      1.155482     10.296929
  H      -1.319847      0.423632      8.874867
  H      -1.127154      3.318915      9.867551
  H       0.216237      2.152973      9.693006
  C      -3.315833      5.788539      7.291183
  C      -4.245900      4.600736      7.168063
  C      -5.356240      4.481923      6.222552
  C      -5.475737      3.249530      5.653715
  N      -4.397070      2.376727      5.935944
  C      -4.492103      1.093870      5.504421
  N      -5.448932      0.546959      4.798223
  C      -6.489672      1.378191      4.409519
  C      -7.505758      0.851913      3.591263
  C      -8.561910      1.650030      3.173698
  C      -8.636954      2.988941      3.584776
  C      -7.647630      3.520224      4.407521
  C      -6.556726      2.736101      4.819341
  C      -2.002574      2.155842      4.035324
  C      -1.910960      0.684488      3.732392
  C      -2.695085     -0.066223      2.932332
  C      -3.785846      0.410611      2.086373
  N      -3.729131      1.660614      1.615652
  C      -4.714433      2.052911      0.770630
  N      -5.719942      1.335526      0.303723
  C      -5.824496      0.065789      0.801957
  C      -6.923450     -0.738169      0.408890
  C      -7.100656     -1.987580      0.966498
  C      -6.194642     -2.477665      1.936916
  C      -5.101040     -1.725281      2.313597
  C      -4.879140     -0.451045      1.740310
  C      -4.027330      0.787571      8.620572
  C      -5.384967      1.407099      8.630350
  C      -6.554125      0.887823      8.194005
  C      -6.760940     -0.384533      7.511772
  N      -5.815727     -1.328645      7.591942
  C      -5.978577     -2.442000      6.842333
  N      -6.988622     -2.752076      6.050697
  C      -8.006899     -1.839775      6.003516
  C      -9.138790     -2.124121      5.201034
  C     -10.186893     -1.229685      5.133904
  C     -10.136665     -0.016497      5.854989
  C      -9.037858      0.291982      6.631322
  C      -7.951549     -0.611568      6.735127
  H      -3.356877      6.477028      6.426612
  H      -3.459988      6.394321      8.210016
  H      -4.494230      4.236729      8.187834
  H      -6.065393      5.291968      6.042024
  H      -3.651254      0.450384      5.778361
  H      -7.443648     -0.197191      3.302600
  H      -9.339171      1.229852      2.532819
  H      -9.470426      3.615795      3.263008
  H      -7.713961      4.561107      4.729172
  H      -1.352077      2.725566      3.341447
  H      -3.014905      2.526888      3.848958
  H      -1.144669      0.148507      4.301887
  H      -2.525991     -1.145381      2.928228
  H      -4.645892      3.088346      0.420459
  H      -7.627799     -0.324870     -0.314049
  H      -7.960386     -2.595522      0.678170
  H      -6.372937     -3.445696      2.407227
  H      -4.436436     -2.087607      3.097547
  H      -3.900402      0.282696      9.600054
  H      -3.979633     -0.032185      7.884870
  H      -5.419297      2.412851      9.060366
  H      -7.431773      1.526500      8.293864
  H      -5.161676     -3.169187      6.899287
  H      -9.148282     -3.065444      4.649589
  H     -11.057569     -1.453685      4.514805
  H     -10.963119      0.691785      5.781128
  H      -9.007813      1.248239      7.151741
89
Coordinates from ORCA-job orca E -6144.745765718046
  N      -2.113767      4.987995      7.285747
  Mo     -2.662082      3.063424      6.980033
  N      -2.937147      1.764253      8.473437
  C      -1.778803      1.388636      9.282897
  C      -0.755088      2.506432      9.274692
  N      -0.566070      2.999584      7.890850
  C       0.085132      4.340525      7.873811
  C      -0.979354      5.396675      8.077357
  C       0.193549      2.046470      7.042272
  C      -0.145381      2.315434      5.589897
  N      -1.595173      2.399566      5.428522
  H      -0.597759      6.385065      7.757696
  H      -1.249229      5.498109      9.150197
  H       0.540008      4.471641      6.883847
  H       0.885320      4.379542      8.631425
  H       0.274864      1.496820      4.978707
  H       0.342086      3.242834      5.224786
  H      -0.127709      1.029292      7.303116
  H       1.276011      2.132547      7.242754
  H      -2.082705      1.201459     10.329341
  H      -1.329912      0.439455      8.923871
  H      -1.137724      3.351691      9.864589
  H       0.207142      2.184091      9.711507
  C      -3.323721      5.777558      7.273109
  C      -4.250782      4.584384      7.165218
  C      -5.362352      4.454513      6.219827
  C      -5.473895      3.221503      5.655105
  N      -4.390548      2.355948      5.940173
  C      -4.477617      1.071175      5.514031
  N      -5.429438      0.516478      4.806269
  C      -6.472930      1.341522      4.411364
  C      -7.483497      0.807920      3.591197
  C      -8.542827      1.599031      3.168141
  C      -8.625656      2.939086      3.573495
  C      -7.641066      3.478109      4.397046
  C      -6.548893      2.700048      4.817037
  C      -1.988546      2.149459      4.034317
  C      -1.896681      0.684657      3.702511
  C      -2.681721     -0.050436      2.889164
  C      -3.776491      0.438812      2.055101
  N      -3.724216      1.697020      1.607032
  C      -4.710098      2.098764      0.767424
  N      -5.713189      1.385970      0.288952
  C      -5.815716      0.108283      0.765718
  C      -6.909658     -0.693674      0.354858
  C      -7.082558     -1.954033      0.888339
  C      -6.175848     -2.458852      1.850223
  C      -5.086861     -1.707991      2.244919
  C      -4.869080     -0.420862      1.696039
  C      -4.031476      0.796972      8.647969
  C      -5.388460      1.416060      8.656814
  C      -6.559836      0.896468      8.227189
  C      -6.772483     -0.376134      7.548288
  N      -5.829739     -1.323676      7.626767
  C      -5.999929     -2.438464      6.880484
  N      -7.013218     -2.746232      6.091898
  C      -8.029409     -1.831503      6.047965
  C      -9.165448     -2.114306      5.251020
  C     -10.212894     -1.218862      5.190010
  C     -10.158264     -0.006053      5.911942
  C      -9.055097      0.301355      6.682246
  C      -7.968642     -0.602785      6.779217
  H      -3.371205      6.459694      6.403867
  H      -3.465036      6.389860      8.188247
  H      -4.501006      4.235908      8.191772
  H      -6.078636      5.258233      6.038634
  H      -3.633581      0.434858      5.794583
  H      -7.413408     -0.240888      3.303684
  H      -9.315199      1.172798      2.525336
  H      -9.460032      3.561218      3.245176
  H      -7.711537      4.520579      4.712526
  H      -1.328165      2.728070      3.357345
  H      -2.998598      2.527169      3.844920
  H      -1.131609      0.136260      4.261996
  H      -2.513913     -1.128903      2.866193
  H      -4.643327      3.138443      0.430234
  H      -7.614526     -0.269728     -0.361714
  H      -7.938131     -2.560453      0.585573
  H      -6.349286     -3.438225      2.299152
  H      -4.421545     -2.083604      3.021106
  H      -3.902175      0.299400      9.631201
  H      -3.984829     -0.025864      7.917869
  H      -5.421139      2.424058      9.082258
  H      -7.435405      1.537090      8.328887
  H      -5.188873     -3.172261      6.942115
  H      -9.178890     -3.055495      4.699529
  H     -11.087247     -1.442291      4.576109
  H     -10.984815      0.702501      5.843546
  H      -9.021519      1.257305      7.203354
89
Coordinates from ORCA-job orca E -6144.746107014207
  N      -2.127274      4.980039      7.277291
  Mo     -2.656510      3.051316      6.974473
  N      -2.934705      1.767359      8.479117
  C      -1.778899      1.405214      9.298393
  C      -0.757533      2.525602      9.278727
  N      -0.566831      3.004828      7.890281
  C       0.078401      4.348478      7.856760
  C      -0.988446      5.403691      8.053824
  C       0.198597      2.043541      7.055745
  C      -0.133628      2.291160      5.598822
  N      -1.581005      2.380680      5.430715
  H      -0.611122      6.387985      7.716634
  H      -1.250790      5.521095      9.126964
  H       0.528791      4.470425      6.863306
  H       0.882324      4.399423      8.609914
  H       0.286227      1.461738      5.001944
  H       0.360067      3.210534      5.220985
  H      -0.119871      1.028749      7.329659
  H       1.279787      2.135423      7.259770
  H      -2.086722      1.233469     10.346394
  H      -1.328922      0.450932      8.954615
  H      -1.145122      3.375215      9.859084
  H       0.205016      2.211414      9.720605
  C      -3.343357      5.758703      7.262148
  C      -4.260074      4.556810      7.153421
  C      -5.363893      4.416114      6.199360
  C      -5.463511      3.181664      5.636726
  N      -4.377018      2.321860      5.927459
  C      -4.457333      1.034767      5.505782
  N      -5.406733      0.471768      4.800243
  C      -6.453316      1.290734      4.401807
  C      -7.463522      0.746630      3.588259
  C      -8.526982      1.529886      3.161244
  C      -8.612872      2.873296      3.554260
  C      -7.628725      3.422590      4.371623
  C      -6.534075      2.651479      4.798070
  C      -1.968264      2.144149      4.033643
  C      -1.882071      0.683908      3.685038
  C      -2.673645     -0.037789      2.867265
  C      -3.771942      0.467246      2.048273
  N      -3.726825      1.737894      1.637142
  C      -4.716300      2.158660      0.811980
  N      -5.713987      1.454230      0.311360
  C      -5.807991      0.161408      0.747607
  C      -6.894595     -0.635266      0.308339
  C      -7.060363     -1.912889      0.801301
  C      -6.153378     -2.440668      1.750219
  C      -5.071490     -1.694236      2.173200
  C      -4.860596     -0.388493      1.665156
  C      -4.029848      0.801738      8.663054
  C      -5.383153      1.428414      8.672660
  C      -6.559815      0.915742      8.250296
  C      -6.788160     -0.361886      7.586111
  N      -5.854173     -1.317660      7.671465
  C      -6.041793     -2.441833      6.942966
  N      -7.062259     -2.749118      6.164026
  C      -8.067696     -1.823324      6.110542
  C      -9.208609     -2.103247      5.319735
  C     -10.244999     -1.196057      5.248983
  C     -10.174602      0.025324      5.955178
  C      -9.066498      0.329885      6.719304
  C      -7.990039     -0.585224      6.824423
  H      -3.395583      6.443489      6.395225
  H      -3.491492      6.366414      8.179460
  H      -4.521618      4.216806      8.180015
  H      -6.086223      5.213369      6.013534
  H      -3.611068      0.403304      5.790213
  H      -7.387902     -0.304313      3.308996
  H      -9.298376      1.095561      2.522703
  H      -9.449316      3.490004      3.221052
  H      -7.701502      4.467594      4.678078
  H      -1.302232      2.726384      3.365005
  H      -2.976656      2.526769      3.844622
  H      -1.115554      0.124777      4.232039
  H      -2.508177     -1.115782      2.827263
  H      -4.657119      3.208838      0.508708
  H      -7.599932     -0.193583     -0.397201
  H      -7.909616     -2.516345      0.475975
  H      -6.320400     -3.436145      2.165039
  H      -4.405926     -2.090638      2.938902
  H      -3.898176      0.312255      9.650053
  H      -3.987764     -0.024567      7.937019
  H      -5.407485      2.439128      9.092017
  H      -7.429180      1.564846      8.349898
  H      -5.239566     -3.184590      7.012164
  H      -9.234400     -3.051359      4.780660
  H     -11.123086     -1.416655      4.639460
  H     -10.993626      0.741835      5.879765
  H      -9.021552      1.291586      7.228914
89
Coordinates from ORCA-job orca E -6144.746465723993
  N      -2.137010      4.971433      7.265149
  Mo     -2.651392      3.039268      6.970189
  N      -2.932541      1.770151      8.486243
  C      -1.779044      1.420102      9.314013
  C      -0.759641      2.542628      9.284005
  N      -0.566752      3.005680      7.890736
  C       0.074230      4.350723      7.839800
  C      -0.994156      5.407149      8.028467
  C       0.201530      2.032958      7.071412
  C      -0.123550      2.260570      5.610581
  N      -1.568960      2.359293      5.435131
  H      -0.618518      6.386525      7.675068
  H      -1.250140      5.540515      9.101198
  H       0.521235      4.462048      6.843632
  H       0.880949      4.412614      8.589237
  H       0.293742      1.420601      5.026906
  H       0.379008      3.171268      5.222344
  H      -0.117680      1.022201      7.359564
  H       1.282120      2.127198      7.278282
  H      -2.090503      1.262039     10.363070
  H      -1.327449      0.461794      8.984216
  H      -1.150048      3.397776      9.854260
  H       0.202691      2.234870      9.730923
  C      -3.357306      5.742489      7.244052
  C      -4.267009      4.534268      7.136735
  C      -5.365602      4.379814      6.177381
  C      -5.455486      3.141462      5.621651
  N      -4.364963      2.288682      5.918462
  C      -4.439047      0.997516      5.508767
  N      -5.388334      0.421214      4.812669
  C      -6.440172      1.231493      4.410267
  C      -7.452574      0.672337      3.609270
  C      -8.521201      1.445285      3.176900
  C      -8.608464      2.794214      3.549747
  C      -7.622168      3.358622      4.354154
  C      -6.523813      2.597366      4.788412
  C      -1.952072      2.142794      4.035267
  C      -1.870410      0.688636      3.666236
  C      -2.667726     -0.018538      2.841826
  C      -3.768583      0.501608      2.037133
  N      -3.736948      1.785361      1.667225
  C      -4.729082      2.222070      0.853622
  N      -5.713100      1.521568      0.322157
  C      -5.791655      0.213036      0.713448
  C      -6.862072     -0.583863      0.237188
  C      -7.013359     -1.879881      0.684710
  C      -6.107806     -2.426004      1.624565
  C      -5.041965     -1.678165      2.084244
  C      -4.845120     -0.353808      1.621380
  C      -4.031254      0.809898      8.679288
  C      -5.379777      1.446774      8.690028
  C      -6.561697      0.943493      8.272616
  C      -6.804249     -0.336811      7.620326
  N      -5.878555     -1.300078      7.711347
  C      -6.084858     -2.433377      7.002404
  N      -7.116173     -2.742747      6.239360
  C      -8.111046     -1.806246      6.177402
  C      -9.261515     -2.086778      5.400671
  C     -10.286679     -1.167854      5.320490
  C     -10.195737      0.065336      6.003619
  C      -9.079196      0.369146      6.755572
  C      -8.013330     -0.557121      6.869110
  H      -3.411302      6.427722      6.377570
  H      -3.511645      6.348471      8.161675
  H      -4.539169      4.205454      8.163726
  H      -6.094900      5.169636      5.986906
  H      -3.587806      0.374177      5.796076
  H      -7.371833     -0.382295      3.344532
  H      -9.294570      0.999190      2.549026
  H      -9.448043      3.403628      3.210944
  H      -7.696410      4.408145      4.644570
  H      -1.280636      2.730763      3.376352
  H      -2.958003      2.530936      3.846204
  H      -1.100925      0.119248      4.198755
  H      -2.502977     -1.095893      2.784216
  H      -4.683856      3.283949      0.590615
  H      -7.566722     -0.128029     -0.460009
  H      -7.849102     -2.485442      0.329467
  H      -6.264288     -3.437875      2.001697
  H      -4.378118     -2.090322      2.844033
  H      -3.898284      0.324576      9.667978
  H      -3.996944     -0.019743      7.955123
  H      -5.394131      2.459164      9.105283
  H      -7.424613      1.601595      8.370447
  H      -5.288381     -3.181963      7.074479
  H      -9.302889     -3.044202      4.879305
  H     -11.171983     -1.388104      4.721247
  H     -11.006687      0.790233      5.920796
  H      -9.019997      1.338867      7.248130
89
Coordinates from ORCA-job orca E -6144.746828027502
  N      -2.146089      4.962627      7.261598
  Mo     -2.649510      3.029108      6.969359
  N      -2.928456      1.768396      8.492600
  C      -1.774473      1.424347      9.322285
  C      -0.756235      2.547975      9.285686
  N      -0.565526      3.002154      7.889137
  C       0.069892      4.349034      7.829514
  C      -1.000782      5.404345      8.016999
  C       0.204523      2.024273      7.076932
  C      -0.119272      2.242519      5.614784
  N      -1.564477      2.344942      5.438769
  H      -0.626683      6.381824      7.656323
  H      -1.251730      5.544454      9.089972
  H       0.513245      4.457123      6.831588
  H       0.879119      4.417187      8.575699
  H       0.295800      1.398212      5.036000
  H       0.387449      3.149518      5.222363
  H      -0.113631      1.015923      7.374235
  H       1.285143      2.121029      7.283940
  H      -2.085542      1.272162     10.372264
  H      -1.322098      0.464579      8.998346
  H      -1.145509      3.406366      9.851698
  H       0.206727      2.242392      9.732766
  C      -3.368007      5.729534      7.235003
  C      -4.274641      4.519179      7.123117
  C      -5.366340      4.356422      6.157186
  C      -5.447441      3.114430      5.606922
  N      -4.356890      2.266966      5.918467
  C      -4.423326      0.972535      5.518881
  N      -5.369379      0.384393      4.826933
  C      -6.423315      1.187273      4.414306
  C      -7.434929      0.614645      3.620802
  C      -8.504681      1.379183      3.176915
  C      -8.592885      2.733645      3.529112
  C      -7.608459      3.311087      4.326257
  C      -6.509789      2.558290      4.773759
  C      -1.951016      2.148475      4.038837
  C      -1.870602      0.699948      3.651502
  C      -2.672984      0.002016      2.822774
  C      -3.780444      0.529639      2.033780
  N      -3.774302      1.826258      1.707893
  C      -4.775586      2.273857      0.911257
  N      -5.742465      1.572654      0.350687
  C      -5.792713      0.248779      0.693592
  C      -6.843948     -0.552574      0.184035
  C      -6.968021     -1.867515      0.581930
  C      -6.053869     -2.428254      1.504629
  C      -5.006887     -1.674996      1.996527
  C      -4.837989     -0.331118      1.584438
  C      -4.031665      0.814459      8.691387
  C      -5.375597      1.462116      8.708836
  C      -6.563708      0.968728      8.298204
  C      -6.820662     -0.316932      7.662765
  N      -5.906010     -1.288708      7.767991
  C      -6.128234     -2.431950      7.080449
  N      -7.167852     -2.744321      6.330496
  C      -8.148202     -1.794375      6.248418
  C      -9.302544     -2.073567      5.476639
  C     -10.309029     -1.137200      5.368738
  C     -10.195572      0.111616      6.019396
  C      -9.076710      0.412231      6.769162
  C      -8.029762     -0.531446      6.910527
  H      -3.418981      6.417742      6.370680
  H      -3.529088      6.331763      8.154077
  H      -4.559871      4.197061      8.146890
  H      -6.098915      5.141596      5.959977
  H      -3.569843      0.355840      5.814587
  H      -7.349643     -0.443906      3.372177
  H      -9.277819      0.922918      2.556211
  H      -9.433097      3.337001      3.180975
  H      -7.685059      4.364726      4.601009
  H      -1.280760      2.744877      3.385185
  H      -2.956534      2.538221      3.854259
  H      -1.095288      0.124609      4.169034
  H      -2.503796     -1.074039      2.750549
  H      -4.752883      3.346757      0.691238
  H      -7.555210     -0.085962     -0.499008
  H      -7.787840     -2.478763      0.199870
  H      -6.190826     -3.456579      1.841946
  H      -4.337425     -2.099894      2.745216
  H      -3.896514      0.325927      9.677744
  H      -4.007587     -0.014277      7.964095
  H      -5.377893      2.476306      9.119137
  H      -7.419462      1.637120      8.391446
  H      -5.337250     -3.185438      7.159249
  H      -9.360381     -3.042996      4.979536
  H     -11.196582     -1.355091      4.771758
  H     -10.991808      0.849864      5.913743
  H      -9.001276      1.393224      7.236285
89
Coordinates from ORCA-job orca E -6144.747164601142
  N      -2.155584      4.949973      7.254490
  Mo     -2.650002      3.015579      6.968224
  N      -2.926114      1.763225      8.498590
  C      -1.773007      1.426415      9.332230
  C      -0.757213      2.552019      9.289872
  N      -0.566727      2.997703      7.890205
  C       0.063470      4.346483      7.823813
  C      -1.010857      5.399461      8.006140
  C       0.207042      2.017597      7.084541
  C      -0.114227      2.229257      5.620569
  N      -1.559609      2.329924      5.442025
  H      -0.639665      6.375840      7.639504
  H      -1.261177      5.545234      9.078417
  H       0.506213      4.451984      6.825431
  H       0.872534      4.421316      8.569525
  H       0.301821      1.382484      5.046207
  H       0.392910      3.134788      5.225485
  H      -0.109036      1.010149      7.386631
  H       1.287034      2.118132      7.293163
  H      -2.085192      1.280305     10.382696
  H      -1.317284      0.466038      9.015201
  H      -1.147764      3.413319      9.850334
  H       0.205834      2.250418      9.739471
  C      -3.379076      5.713533      7.218346
  C      -4.282332      4.499687      7.107597
  C      -5.368199      4.327070      6.136386
  C      -5.444564      3.081194      5.594745
  N      -4.351612      2.239120      5.913807
  C      -4.415359      0.941087      5.526027
  N      -5.361086      0.343659      4.841139
  C      -6.417088      1.140135      4.421140
  C      -7.428850      0.558119      3.634040
  C      -8.498237      1.317311      3.180473
  C      -8.586220      2.676020      3.516051
  C      -7.602699      3.262491      4.307417
  C      -6.504397      2.515285      4.764591
  C      -1.942540      2.155193      4.038297
  C      -1.854114      0.714244      3.624775
  C      -2.655476      0.025404      2.785922
  C      -3.773769      0.555562      2.015227
  N      -3.796023      1.861779      1.730156
  C      -4.812325      2.315516      0.956753
  N      -5.771613      1.614323      0.383051
  C      -5.792927      0.279685      0.683767
  C      -6.833941     -0.524525      0.158266
  C      -6.927712     -1.854379      0.512142
  C      -5.992036     -2.427832      1.404839
  C      -4.955017     -1.670965      1.911495
  C      -4.817751     -0.310682      1.545285
  C      -4.032521      0.815244      8.703340
  C      -5.371465      1.473528      8.732119
  C      -6.565308      0.992256      8.324570
  C      -6.834324     -0.293281      7.694069
  N      -5.931578     -1.274676      7.810393
  C      -6.170299     -2.424789      7.140123
  N      -7.219075     -2.736566      6.402674
  C      -8.185094     -1.773503      6.305705
  C      -9.346306     -2.049358      5.542893
  C     -10.335675     -1.097518      5.415242
  C     -10.198084      0.163758      6.036785
  C      -9.073872      0.459854      6.780252
  C      -8.044718     -0.499950      6.942573
  H      -3.427331      6.399002      6.351608
  H      -3.546599      6.318399      8.134523
  H      -4.577099      4.185090      8.130757
  H      -6.105447      5.106740      5.934466
  H      -3.557586      0.330566      5.823021
  H      -7.342359     -0.503032      3.397309
  H      -9.271403      0.853959      2.565149
  H      -9.426032      3.275391      3.160175
  H      -7.679564      4.319437      4.569167
  H      -1.274220      2.766479      3.395923
  H      -2.949013      2.543552      3.857200
  H      -1.071925      0.135179      4.127111
  H      -2.475989     -1.047339      2.693308
  H      -4.812006      3.395074      0.771705
  H      -7.561221     -0.049352     -0.501471
  H      -7.739245     -2.468818      0.117670
  H      -6.103887     -3.470484      1.705406
  H      -4.267254     -2.108115      2.635878
  H      -3.892880      0.319783      9.685312
  H      -4.021029     -0.009751      7.971693
  H      -5.362347      2.486454      9.145450
  H      -7.415221      1.667624      8.421783
  H      -5.387763     -3.186250      7.226433
  H      -9.421984     -3.028110      5.066943
  H     -11.227696     -1.312167      4.823781
  H     -10.979722      0.914690      5.913402
  H      -8.979494      1.449823      7.224327
89
Coordinates from ORCA-job orca E -6144.747513642156
  N      -2.175499      4.932338      7.261712
  Mo     -2.655245      2.997735      6.973619
  N      -2.917258      1.746361      8.506481
  C      -1.760650      1.414676      9.336938
  C      -0.750983      2.545558      9.291586
  N      -0.568538      2.992909      7.890616
  C       0.049851      4.347009      7.826175
  C      -1.033432      5.390195      8.012661
  C       0.211027      2.021629      7.080709
  C      -0.115841      2.237133      5.617227
  N      -1.563328      2.324290      5.443474
  H      -0.671696      6.370797      7.648000
  H      -1.283592      5.530629      9.085641
  H       0.489607      4.459869      6.827408
  H       0.859404      4.427042      8.570814
  H       0.305111      1.395316      5.039072
  H       0.381952      3.148241      5.224076
  H      -0.096393      1.010824      7.380056
  H       1.290615      2.130445      7.287148
  H      -2.068629      1.265918     10.388176
  H      -1.298736      0.457938      9.018044
  H      -1.142865      3.405204      9.853397
  H       0.215113      2.248310      9.737454
  C      -3.402661      5.689662      7.218237
  C      -4.298714      4.469993      7.103167
  C      -5.375063      4.288276      6.122508
  C      -5.441608      3.038924      5.586656
  N      -4.346776      2.204564      5.920055
  C      -4.397050      0.905798      5.533435
  N      -5.334073      0.299593      4.844102
  C      -6.392851      1.086893      4.413711
  C      -7.395029      0.496771      3.619758
  C      -8.461997      1.249489      3.150487
  C      -8.557987      2.610297      3.475874
  C      -7.585616      3.204496      4.274732
  C      -6.490074      2.463744      4.748496
  C      -1.948446      2.174603      4.036588
  C      -1.845415      0.743086      3.593368
  C      -2.643860      0.059234      2.745951
  C      -3.780106      0.581877      1.997252
  N      -3.841579      1.894809      1.749192
  C      -4.879362      2.343515      1.002253
  N      -5.830043      1.633943      0.423366
  C      -5.810329      0.291515      0.684337
  C      -6.837223     -0.524411      0.149089
  C      -6.886743     -1.867433      0.458881
  C      -5.919301     -2.442945      1.315590
  C      -4.896629     -1.673516      1.831605
  C      -4.804855     -0.298308      1.511095
  C      -4.025942      0.803429      8.716266
  C      -5.358075      1.475226      8.772361
  C      -6.561212      1.014383      8.369113
  C      -6.848486     -0.265478      7.734370
  N      -5.964392     -1.262272      7.858882
  C      -6.226456     -2.414474      7.200927
  N      -7.287070     -2.715772      6.475398
  C      -8.230531     -1.732224      6.364088
  C      -9.399557     -1.992115      5.607344
  C     -10.360802     -1.015165      5.456616
  C     -10.186794      0.256152      6.048235
  C      -9.056956      0.535263      6.789678
  C      -8.057770     -0.451405      6.977580
  H      -3.449409      6.374502      6.350732
  H      -3.579278      6.294615      8.132565
  H      -4.603150      4.157426      8.123870
  H      -6.117361      5.061439      5.914146
  H      -3.533926      0.304018      5.834349
  H      -7.301200     -0.564503      3.387030
  H      -9.226650      0.780278      2.529004
  H      -9.395533      3.204795      3.106775
  H      -7.668899      4.262973      4.528274
  H      -1.289114      2.807029      3.405152
  H      -2.959150      2.556091      3.864994
  H      -1.051921      0.165063      4.078027
  H      -2.446537     -1.008163      2.631730
  H      -4.908564      3.427258      0.845728
  H      -7.588057     -0.049543     -0.483759
  H      -7.687298     -2.491536      0.057230
  H      -5.993690     -3.499099      1.578667
  H      -4.181929     -2.114980      2.526009
  H      -3.875888      0.289917      9.687002
  H      -4.033935     -0.010513      7.973002
  H      -5.331797      2.482561      9.198580
  H      -7.403254      1.697587      8.480979
  H      -5.456625     -3.188426      7.290009
  H      -9.502274     -2.978143      5.151978
  H     -11.257527     -1.216877      4.867718
  H     -10.943795      1.027999      5.902622
  H      -8.931997      1.532345      7.209729
89
Coordinates from ORCA-job orca E -6144.747860558743
  N      -2.198213      4.915493      7.255658
  Mo     -2.660041      2.978061      6.971336
  N      -2.910751      1.731162      8.509272
  C      -1.752667      1.408957      9.340626
  C      -0.751790      2.547436      9.292815
  N      -0.573636      2.994323      7.890753
  C       0.031838      4.354360      7.824317
  C      -1.061807      5.387028      8.007086
  C       0.215912      2.030410      7.082489
  C      -0.111465      2.241839      5.618027
  N      -1.559374      2.314077      5.443453
  H      -0.710561      6.370674      7.640790
  H      -1.315135      5.526446      9.079506
  H       0.471286      4.470074      6.825581
  H       0.839580      4.444037      8.569825
  H       0.317474      1.402548      5.041708
  H       0.376949      3.157196      5.223575
  H      -0.081910      1.016467      7.381189
  H       1.293921      2.150004      7.290015
  H      -2.059606      1.260103     10.392119
  H      -1.282678      0.455373      9.023596
  H      -1.150145      3.405047      9.853151
  H       0.216865      2.258672      9.738617
  C      -3.430842      5.663402      7.199910
  C      -4.316297      4.435135      7.084040
  C      -5.382805      4.240137      6.094746
  C      -5.439535      2.986061      5.569828
  N      -4.340016      2.162805      5.914412
  C      -4.376254      0.862173      5.531844
  N      -5.306143      0.244221      4.843176
  C      -6.371922      1.018740      4.407727
  C      -7.370189      0.414639      3.619574
  C      -8.442757      1.155566      3.144378
  C      -8.548257      2.518762      3.456471
  C      -7.580734      3.126608      4.250853
  C      -6.480956      2.397213      4.732368
  C      -1.938672      2.181461      4.032348
  C      -1.822240      0.758972      3.563932
  C      -2.616287      0.083362      2.705691
  C      -3.763413      0.606558      1.974665
  N      -3.847791      1.924771      1.765060
  C      -4.897769      2.378134      1.039665
  N      -5.843775      1.671493      0.449009
  C      -5.800557      0.322758      0.668684
  C      -6.818949     -0.492567      0.116123
  C      -6.844536     -1.845261      0.383323
  C      -5.860451     -2.431943      1.212919
  C      -4.845922     -1.662651      1.745438
  C      -4.778255     -0.275798      1.468798
  C      -4.020018      0.791208      8.727264
  C      -5.344523      1.474418      8.817993
  C      -6.558345      1.032502      8.426384
  C      -6.867407     -0.239816      7.785675
  N      -6.001483     -1.252436      7.910340
  C      -6.288876     -2.402896      7.259453
  N      -7.361716     -2.689094      6.545448
  C      -8.284067     -1.686410      6.429474
  C      -9.461632     -1.926335      5.679495
  C     -10.397090     -0.926593      5.517085
  C     -10.188048      0.348628      6.089135
  C      -9.051036      0.607730      6.826669
  C      -8.079131     -0.403334      7.028490
  H      -3.476997      6.343205      6.328398
  H      -3.618881      6.271984      8.109481
  H      -4.628770      4.126374      8.104150
  H      -6.131009      5.005438      5.878321
  H      -3.506811      0.270578      5.834820
  H      -7.268982     -0.647584      3.393872
  H      -9.203454      0.675730      2.526170
  H      -9.389533      3.103983      3.081269
  H      -7.671940      4.186450      4.495704
  H      -1.284596      2.830874      3.413187
  H      -2.952772      2.556847      3.865084
  H      -1.022013      0.180497      4.036509
  H      -2.406911     -0.978759      2.569654
  H      -4.944917      3.464808      0.914373
  H      -7.582639     -0.010688     -0.495761
  H      -7.638984     -2.468629     -0.031119
  H      -5.913977     -3.497605      1.441269
  H      -4.117420     -2.115293      2.417071
  H      -3.854883      0.260659      9.686223
  H      -4.049962     -0.010100      7.972436
  H      -5.300560      2.474944      9.259067
  H      -7.392377      1.721530      8.560152
  H      -5.533442     -3.191000      7.347494
  H      -9.590334     -2.914797      5.236261
  H     -11.299640     -1.112782      4.932139
  H     -10.923140      1.138958      5.931484
  H      -8.896610      1.606769      7.232170
89
Coordinates from ORCA-job orca E -6144.748174619050
  N      -2.235098      4.891937      7.252695
  Mo     -2.669130      2.949916      6.970741
  N      -2.897391      1.702489      8.510992
  C      -1.735177      1.392256      9.339762
  C      -0.750769      2.545079      9.293798
  N      -0.582320      2.998345      7.892339
  C       0.001886      4.368260      7.827724
  C      -1.109168      5.382448      8.008526
  C       0.221368      2.049038      7.080951
  C      -0.109293      2.260024      5.616629
  N      -1.557763      2.308136      5.442960
  H      -0.776044      6.373162      7.645106
  H      -1.368591      5.513698      9.080608
  H       0.440807      4.491726      6.829570
  H       0.806244      4.470381      8.575208
  H       0.332826      1.428601      5.038228
  H       0.362532      3.184676      5.224001
  H      -0.062237      1.029319      7.374452
  H       1.297397      2.183268      7.288590
  H      -2.038447      1.234989     10.390982
  H      -1.250989      0.446987      9.018388
  H      -1.160268      3.395814      9.856742
  H       0.223144      2.269494      9.736372
  C      -3.477038      5.624058      7.181373
  C      -4.344607      4.382535      7.061133
  C      -5.397747      4.169143      6.061129
  C      -5.438509      2.909309      5.547937
  N      -4.332614      2.101604      5.906645
  C      -4.343403      0.801463      5.519917
  N      -5.259235      0.169627      4.824796
  C      -6.338141      0.925231      4.389492
  C      -7.330084      0.303036      3.607874
  C      -8.414294      1.026369      3.131917
  C      -8.537618      2.390201      3.434093
  C      -7.577508      3.015849      4.223512
  C      -6.468568      2.303284      4.709351
  C      -1.934944      2.195707      4.028602
  C      -1.800923      0.784383      3.533244
  C      -2.588811      0.115292      2.664905
  C      -3.748349      0.635040      1.950945
  N      -3.857658      1.956512      1.776375
  C      -4.919483      2.409466      1.069799
  N      -5.857691      1.702528      0.466229
  C      -5.787481      0.349503      0.646072
  C      -6.791999     -0.468944      0.072660
  C      -6.790095     -1.829339      0.298293
  C      -5.791327     -2.421478      1.106212
  C      -4.789817     -1.648758      1.658618
  C      -4.749647     -0.252177      1.424356
  C      -4.007529      0.766073      8.738558
  C      -5.318942      1.463761      8.891320
  C      -6.547798      1.051995      8.514964
  C      -6.884916     -0.201248      7.849542
  N      -6.042991     -1.235234      7.961808
  C      -6.364384     -2.375209      7.307730
  N      -7.454419     -2.633677      6.608809
  C      -8.348366     -1.605122      6.498364
  C      -9.538183     -1.810045      5.757549
  C     -10.437205     -0.778278      5.589629
  C     -10.178217      0.495264      6.145250
  C      -9.031375      0.719234      6.878762
  C      -8.098841     -0.326475      7.090086
  H      -3.523769      6.297130      6.304663
  H      -3.682266      6.236255      8.084667
  H      -4.664360      4.073615      8.079576
  H      -6.154133      4.923410      5.834501
  H      -3.463851      0.225050      5.822789
  H      -7.215169     -0.758324      3.383641
  H      -9.168930      0.532557      2.517321
  H      -9.386981      2.961411      3.055714
  H      -7.683513      4.075415      4.463416
  H      -1.290669      2.866065      3.422426
  H      -2.954412      2.560941      3.869546
  H      -0.990771      0.209239      3.992976
  H      -2.363526     -0.940057      2.505806
  H      -4.987961      3.497772      0.974214
  H      -7.567640      0.015331     -0.522154
  H      -7.574679     -2.454461     -0.131802
  H      -5.821013     -3.494700      1.301876
  H      -4.049491     -2.108437      2.311969
  H      -3.817540      0.203749      9.674339
  H      -4.072710     -0.011435      7.962339
  H      -5.248330      2.448056      9.365003
  H      -7.371910      1.743965      8.690930
  H      -5.627219     -3.181671      7.382114
  H      -9.703310     -2.796123      5.321191
  H     -11.348137     -0.937156      5.009756
  H     -10.882252      1.311555      5.978783
  H      -8.834422      1.714821      7.274451
89
Coordinates from ORCA-job orca E -6144.748386603826
  N      -2.242988      4.881443      7.232655
  Mo     -2.668282      2.935678      6.965553
  N      -2.897375      1.703374      8.517119
  C      -1.739039      1.408836      9.356775
  C      -0.756956      2.563428      9.297719
  N      -0.586257      2.999139      7.891216
  C      -0.004047      4.369079      7.808473
  C      -1.115999      5.384397      7.978299
  C       0.219200      2.038822      7.093739
  C      -0.104290      2.231008      5.626199
  N      -1.550824      2.285358      5.446150
  H      -0.784944      6.370170      7.599852
  H      -1.372870      5.530755      9.049016
  H       0.433755      4.479448      6.808230
  H       0.801328      4.481621      8.553375
  H       0.336786      1.390200      5.060552
  H       0.374399      3.147981      5.222937
  H      -0.067190      1.023436      7.399336
  H       1.294715      2.173466      7.303803
  H      -2.047461      1.267297     10.408727
  H      -1.252433      0.459280      9.052588
  H      -1.170836      3.420111      9.848372
  H       0.216800      2.296798      9.746032
  C      -3.487281      5.607394      7.155997
  C      -4.350417      4.362018      7.043782
  C      -5.401404      4.139114      6.043968
  C      -5.435667      2.876056      5.539282
  N      -4.328500      2.073863      5.906273
  C      -4.332655      0.772195      5.524529
  N      -5.245714      0.132356      4.832121
  C      -6.328744      0.881120      4.395315
  C      -7.320640      0.249442      3.621465
  C      -8.408070      0.965528      3.141674
  C      -8.533745      2.331729      3.430908
  C      -7.573638      2.966776      4.212674
  C      -6.462731      2.261204      4.703831
  C      -1.922733      2.189071      4.030468
  C      -1.792486      0.783716      3.520253
  C      -2.582079      0.127557      2.644567
  C      -3.740552      0.660260      1.938743
  N      -3.851735      1.985208      1.793021
  C      -4.914754      2.451664      1.097420
  N      -5.849885      1.756397      0.476320
  C      -5.776407      0.399311      0.624892
  C      -6.776318     -0.408489      0.029175
  C      -6.770603     -1.774039      0.221307
  C      -5.771699     -2.382275      1.016784
  C      -4.774685     -1.619640      1.591394
  C      -4.739459     -0.217322      1.392257
  C      -4.010299      0.772188      8.755905
  C      -5.317820      1.476996      8.909332
  C      -6.549174      1.069925      8.535978
  C      -6.894995     -0.187931      7.882911
  N      -6.064477     -1.229065      8.014175
  C      -6.398251     -2.377455      7.380849
  N      -7.490404     -2.636400      6.686087
  C      -8.372053     -1.599869      6.554765
  C      -9.564598     -1.806263      5.818901
  C     -10.451393     -0.767762      5.630508
  C     -10.177299      0.513568      6.160181
  C      -9.028162      0.738961      6.889427
  C      -8.108157     -0.313041      7.121964
  H      -3.536345      6.274498      6.274948
  H      -3.695081      6.224035      8.055744
  H      -4.674966      4.061251      8.062529
  H      -6.160857      4.888809      5.812699
  H      -3.452083      0.200762      5.833324
  H      -7.201488     -0.813145      3.404496
  H      -9.162630      0.463891      2.533383
  H      -9.384972      2.897384      3.048358
  H      -7.681427      4.028128      4.443573
  H      -1.272852      2.863157      3.433942
  H      -2.940428      2.559110      3.871997
  H      -0.982303      0.201210      3.971120
  H      -2.359318     -0.926100      2.470913
  H      -4.986141      3.541953      1.027514
  H      -7.551914      0.087916     -0.555762
  H      -7.550765     -2.391363     -0.227694
  H      -5.796356     -3.460357      1.183862
  H      -4.032584     -2.094232      2.232652
  H      -3.817300      0.216170      9.694770
  H      -4.081085     -0.009547      7.984328
  H      -5.240946      2.463356      9.377668
  H      -7.369819      1.767005      8.708511
  H      -5.671791     -3.191760      7.473348
  H      -9.741321     -2.798892      5.402348
  H     -11.364550     -0.927648      5.054368
  H     -10.872100      1.334249      5.977130
  H      -8.820287      1.739477      7.267083
89
Coordinates from ORCA-job orca E -6144.748558104866
  N      -2.245667      4.872468      7.201765
  Mo     -2.670654      2.922041      6.964900
  N      -2.900990      1.712770      8.533194
  C      -1.749324      1.440317      9.389001
  C      -0.767102      2.593942      9.309005
  N      -0.592921      3.000669      7.894851
  C      -0.007334      4.367251      7.784826
  C      -1.117220      5.388345      7.935884
  C       0.209618      2.019836      7.118154
  C      -0.105647      2.184291      5.645953
  N      -1.549697      2.251037      5.458630
  H      -0.785394      6.366044      7.537769
  H      -1.372835      5.555814      9.003744
  H       0.430511      4.455203      6.782608
  H       0.798639      4.491893      8.527127
  H       0.330443      1.328155      5.099431
  H       0.385136      3.087832      5.225790
  H      -0.085839      1.013038      7.442916
  H       1.285571      2.149850      7.329553
  H      -2.065692      1.323313     10.441510
  H      -1.260701      0.483657      9.111556
  H      -1.183301      3.461645      9.840496
  H       0.205811      2.337719      9.765046
  C      -3.489960      5.596323      7.114338
  C      -4.352469      4.349712      7.019897
  C      -5.399529      4.114063      6.019385
  C      -5.428710      2.845853      5.526250
  N      -4.323374      2.047287      5.906393
  C      -4.323466      0.742586      5.535348
  N      -5.232241      0.095691      4.843161
  C      -6.315350      0.839909      4.397910
  C      -7.305143      0.199716      3.628529
  C      -8.391015      0.910503      3.137114
  C      -8.517157      2.279758      3.410204
  C      -7.559877      2.923142      4.188389
  C      -6.450943      2.222966      4.691603
  C      -1.919871      2.171161      4.042464
  C      -1.801986      0.770355      3.518282
  C      -2.594641      0.131861      2.632443
  C      -3.745176      0.685707      1.928385
  N      -3.847019      2.014381      1.808213
  C      -4.906317      2.502042      1.121024
  N      -5.843725      1.825430      0.483738
  C      -5.777541      0.464545      0.602926
  C      -6.779450     -0.324454     -0.013752
  C      -6.781753     -1.693993      0.147450
  C      -5.788574     -2.324923      0.932214
  C      -4.789443     -1.580732      1.526908
  C      -4.747138     -0.174414      1.360861
  C      -4.016408      0.786653      8.784394
  C      -5.323606      1.491733      8.942001
  C      -6.553758      1.081347      8.567886
  C      -6.894691     -0.182055      7.921367
  N      -6.067265     -1.222890      8.071624
  C      -6.401884     -2.380591      7.455400
  N      -7.490933     -2.646803      6.759020
  C      -8.367251     -1.608974      6.604079
  C      -9.557127     -1.823063      5.866173
  C     -10.438745     -0.784079      5.656759
  C     -10.161668      0.504623      6.166134
  C      -9.014982      0.737661      6.896718
  C      -8.101283     -0.314231      7.151684
  H      -3.539555      6.249068      6.222553
  H      -3.697920      6.226665      8.004558
  H      -4.679380      4.064834      8.041730
  H      -6.158234      4.860851      5.777159
  H      -3.443450      0.175025      5.853074
  H      -7.183985     -0.864689      3.421767
  H      -9.143899      0.401344      2.533007
  H      -9.366809      2.841144      3.017879
  H      -7.668437      3.986847      4.407773
  H      -1.262703      2.845498      3.453682
  H      -2.934246      2.550189      3.885597
  H      -0.997765      0.175815      3.964553
  H      -2.381358     -0.921777      2.445415
  H      -4.972600      3.594503      1.075908
  H      -7.550349      0.189410     -0.589739
  H      -7.562948     -2.297121     -0.318970
  H      -5.818055     -3.406157      1.075037
  H      -4.050629     -2.076132      2.156634
  H      -3.817171      0.235019      9.724310
  H      -4.091175      0.001946      8.016269
  H      -5.246870      2.478031      9.410103
  H      -7.378809      1.774273      8.739065
  H      -5.680593     -3.196913      7.567754
  H      -9.736154     -2.821662      5.465131
  H     -11.350344     -0.949835      5.079660
  H     -10.852489      1.324711      5.965710
  H      -8.804213      1.742678      7.261028
89
Coordinates from ORCA-job orca E -6144.748685049695
  N      -2.249712      4.861114      7.178904
  Mo     -2.670447      2.907924      6.961479
  N      -2.900913      1.713270      8.540282
  C      -1.754914      1.459988      9.409938
  C      -0.773353      2.613184      9.314406
  N      -0.595512      2.998652      7.894914
  C      -0.010041      4.363640      7.767622
  C      -1.120722      5.386759      7.905237
  C       0.206652      2.005377      7.133647
  C      -0.101516      2.153116      5.657851
  N      -1.544222      2.227569      5.463029
  H      -0.788778      6.358998      7.493914
  H      -1.375799      5.568967      8.970691
  H       0.429008      4.438793      6.765080
  H       0.795383      4.497500      8.508942
  H       0.332363      1.287945      5.123891
  H       0.397864      3.048093      5.229085
  H      -0.093730      1.004264      7.471111
  H       1.282408      2.133806      7.347489
  H      -2.078540      1.363656     10.462254
  H      -1.263055      0.498549      9.155761
  H      -1.191376      3.488638      9.831475
  H       0.198322      2.364632      9.777310
  C      -3.496211      5.580635      7.085327
  C      -4.356327      4.330781      7.006140
  C      -5.404251      4.081374      6.009097
  C      -5.428425      2.809571      5.524670
  N      -4.318680      2.018331      5.908184
  C      -4.313298      0.710803      5.547895
  N      -5.220040      0.053887      4.862224
  C      -6.306404      0.790719      4.411276
  C      -7.293137      0.140773      3.645552
  C      -8.381620      0.843133      3.147901
  C      -8.513361      2.213940      3.410744
  C      -7.559288      2.866947      4.184566
  C      -6.447821      2.175569      4.694298
  C      -1.909358      2.166846      4.045236
  C      -1.795212      0.773299      3.502136
  C      -2.590500      0.150281      2.606697
  C      -3.740104      0.717723      1.911544
  N      -3.842276      2.048340      1.812628
  C      -4.904440      2.547654      1.137553
  N      -5.844795      1.881413      0.494028
  C      -5.777264      0.518784      0.590073
  C      -6.781941     -0.259617     -0.035038
  C      -6.782579     -1.631746      0.102202
  C      -5.784176     -2.275248      0.869773
  C      -4.782403     -1.540988      1.471884
  C      -4.742577     -0.132530      1.331438
  C      -4.019556      0.794410      8.802655
  C      -5.323731      1.508018      8.950306
  C      -6.554259      1.100626      8.574772
  C      -6.901216     -0.170176      7.946100
  N      -6.084914     -1.215700      8.120408
  C      -6.429993     -2.382648      7.527939
  N      -7.518778     -2.651395      6.832218
  C      -8.381595     -1.606799      6.648996
  C      -9.569004     -1.822315      5.907489
  C     -10.436779     -0.777545      5.670296
  C     -10.147482      0.518333      6.154163
  C      -9.002927      0.753079      6.887588
  C      -8.103604     -0.304012      7.170674
  H      -3.549216      6.224118      6.186941
  H      -3.704453      6.219526      7.969427
  H      -4.682549      4.057084      8.031440
  H      -6.167278      4.822528      5.763266
  H      -3.428524      0.151009      5.867096
  H      -7.166138     -0.924200      3.446657
  H      -9.132300      0.325929      2.547916
  H      -9.364644      2.769149      3.013148
  H      -7.671896      3.932176      4.394469
  H      -1.247280      2.846662      3.467583
  H      -2.921771      2.550592      3.887883
  H      -0.994048      0.169259      3.940796
  H      -2.382160     -0.901800      2.405951
  H      -4.970473      3.640816      1.110301
  H      -7.555737      0.264195     -0.597862
  H      -7.565778     -2.227486     -0.370395
  H      -5.811816     -3.358862      0.993402
  H      -4.039100     -2.047802      2.086950
  H      -3.821962      0.251843      9.747897
  H      -4.097660      0.002138      8.042463
  H      -5.242918      2.498915      9.407788
  H      -7.376315      1.800139      8.733368
  H      -5.718068     -3.204000      7.661189
  H      -9.757420     -2.827030      5.526592
  H     -11.346536     -0.944480      5.090591
  H     -10.827267      1.341932      5.931548
  H      -8.781934      1.763167      7.230920
89
Coordinates from ORCA-job orca E -6144.748811289927
  N      -2.242761      4.853211      7.134431
  Mo     -2.669440      2.896201      6.956863
  N      -2.908167      1.728230      8.553430
  C      -1.773153      1.501945      9.445115
  C      -0.787913      2.649824      9.325785
  N      -0.600292      2.999120      7.898366
  C      -0.007010      4.357705      7.741570
  C      -1.113117      5.389358      7.852017
  C       0.197620      1.982053      7.164475
  C      -0.097295      2.100588      5.682901
  N      -1.536734      2.190983      5.475909
  H      -0.774799      6.350326      7.419920
  H      -1.370301      5.596988      8.912282
  H       0.436957      4.407246      6.739541
  H       0.796017      4.503967      8.483124
  H       0.329659      1.217830      5.172083
  H       0.417779      2.978846      5.237891
  H      -0.115371      0.991751      7.521926
  H       1.272951      2.104085      7.383710
  H      -2.109911      1.439569     10.495862
  H      -1.279900      0.531872      9.228641
  H      -1.206169      3.539337      9.818089
  H       0.180129      2.410390      9.800981
  C      -3.488071      5.572974      7.026892
  C      -4.351405      4.323814      6.973765
  C      -5.400958      4.059089      5.982398
  C      -5.425149      2.781217      5.515000
  N      -4.316239      1.994963      5.910671
  C      -4.309301      0.683090      5.565955
  N      -5.214023      0.017294      4.886137
  C      -6.299116      0.748821      4.423046
  C      -7.282452      0.089466      3.660713
  C      -8.369291      0.785355      3.150291
  C      -8.502312      2.159299      3.396477
  C      -7.551794      2.821413      4.166675
  C      -6.442204      2.136722      4.689480
  C      -1.894537      2.144514      4.056684
  C      -1.798439      0.753705      3.503859
  C      -2.598390      0.152766      2.597077
  C      -3.734121      0.748298      1.902398
  N      -3.812987      2.081803      1.822103
  C      -4.864936      2.609543      1.152832
  N      -5.816488      1.969507      0.499659
  C      -5.771652      0.604557      0.573699
  C      -6.787400     -0.145885     -0.067256
  C      -6.809901     -1.520168      0.044157
  C      -5.822531     -2.193071      0.800306
  C      -4.810502     -1.486018      1.417978
  C      -4.748285     -0.076048      1.304789
  C      -4.027709      0.813876      8.827142
  C      -5.333602      1.528383      8.955999
  C      -6.560316      1.111547      8.578549
  C      -6.901944     -0.171897      7.971931
  N      -6.085265     -1.212666      8.169901
  C      -6.428759     -2.392744      7.602868
  N      -7.514867     -2.676787      6.909196
  C      -8.377378     -1.636704      6.700514
  C      -9.561781     -1.868397      5.959278
  C     -10.430762     -0.829921      5.699934
  C     -10.145471      0.475391      6.160268
  C      -9.003374      0.726355      6.892158
  C      -8.102386     -0.323241      7.196748
  H      -3.540601      6.196628      6.114770
  H      -3.694680      6.231046      7.897209
  H      -4.676197      4.069915      8.004515
  H      -6.162000      4.798163      5.724373
  H      -3.426023      0.127237      5.895867
  H      -7.153502     -0.977568      3.474634
  H      -9.117429      0.260378      2.553923
  H      -9.351675      2.709770      2.988378
  H      -7.665144      3.889163      4.363006
  H      -1.220300      2.819140      3.486943
  H      -2.901340      2.542674      3.896909
  H      -1.011369      0.132292      3.943797
  H      -2.408932     -0.900911      2.387459
  H      -4.911276      3.703768      1.141612
  H      -7.551261      0.400846     -0.621772
  H      -7.601389     -2.094676     -0.440633
  H      -5.866664     -3.278321      0.903986
  H      -4.076035     -2.017775      2.022010
  H      -3.833195      0.287761      9.782116
  H      -4.101164      0.010076      8.079291
  H      -5.257740      2.527083      9.397166
  H      -7.385461      1.811054      8.719453
  H      -5.717755     -3.210909      7.757796
  H      -9.747597     -2.880624      5.597505
  H     -11.338566     -1.009475      5.121011
  H     -10.826933      1.292809      5.920891
  H      -8.784652      1.743320      7.215870
89
Coordinates from ORCA-job orca E -6144.748930527833
  N      -2.235399      4.844060      7.085904
  Mo     -2.669606      2.884134      6.949443
  N      -2.918749      1.741146      8.562101
  C      -1.795569      1.539344      9.474375
  C      -0.806453      2.681683      9.336332
  N      -0.607001      2.998123      7.903226
  C      -0.006169      4.350187      7.720965
  C      -1.108430      5.388899      7.801224
  C       0.188126      1.960348      7.196479
  C      -0.091566      2.053236      5.709524
  N      -1.527249      2.156878      5.487878
  H      -0.762001      6.339361      7.352678
  H      -1.372287      5.618653      8.855274
  H       0.445910      4.376488      6.721733
  H       0.791544      4.508683      8.465719
  H       0.330377      1.155551      5.220382
  H       0.437207      2.917092      5.252726
  H      -0.137451      0.980036      7.569893
  H       1.262531      2.076538      7.423080
  H      -2.146216      1.507089     10.521990
  H      -1.300254      0.563122      9.292460
  H      -1.223944      3.583899      9.805607
  H       0.157214      2.449236      9.823936
  C      -3.479002      5.564762      6.959108
  C      -4.345231      4.316705      6.930712
  C      -5.393925      4.033075      5.943446
  C      -5.417764      2.747177      5.498458
  N      -4.308686      1.968304      5.907769
  C      -4.299309      0.651312      5.583310
  N      -5.203380     -0.027133      4.915264
  C      -6.289487      0.695360      4.440659
  C      -7.272202      0.022283      3.689263
  C      -8.359167      0.708365      3.166129
  C      -8.493039      2.086563      3.388373
  C      -7.543626      2.762194      4.147883
  C      -6.433886      2.087509      4.683614
  C      -1.875917      2.126122      4.066222
  C      -1.796896      0.739525      3.500333
  C      -2.599847      0.162805      2.580279
  C      -3.719445      0.787161      1.884782
  N      -3.770307      2.122661      1.815521
  C      -4.811542      2.678418      1.152594
  N      -5.780241      2.064491      0.499279
  C      -5.762607      0.698283      0.558521
  C      -6.794628     -0.024099     -0.088693
  C      -6.841224     -1.399299      0.002475
  C      -5.863176     -2.100424      0.744730
  C      -4.837151     -1.420688      1.370251
  C      -4.749623     -0.010548      1.277744
  C      -4.039079      0.830936      8.846116
  C      -5.345776      1.546245      8.962582
  C      -6.570128      1.121170      8.587171
  C      -6.907495     -0.173010      8.001183
  N      -6.090141     -1.209008      8.220226
  C      -6.430644     -2.399699      7.674015
  N      -7.514790     -2.697739      6.982987
  C      -8.377254     -1.662284      6.751784
  C      -9.558850     -1.908478      6.010823
  C     -10.428410     -0.875787      5.730647
  C     -10.146509      0.437849      6.169077
  C      -9.006916      0.703226      6.899846
  C      -8.105494     -0.339730      7.225431
  H      -3.528061      6.166535      6.032430
  H      -3.686691      6.243462      7.813095
  H      -4.668337      4.084180      7.967253
  H      -6.154102      4.767867      5.670874
  H      -3.415431      0.102545      5.922876
  H      -7.142567     -1.047776      3.522059
  H      -9.106693      0.172522      2.578750
  H      -9.342110      2.629732      2.970065
  H      -7.657802      3.833243      4.325061
  H      -1.189558      2.796834      3.506605
  H      -2.876398      2.539574      3.903195
  H      -1.025299      0.100362      3.941939
  H      -2.429947     -0.892300      2.361911
  H      -4.833212      3.773399      1.149941
  H      -7.549645      0.544588     -0.633061
  H      -7.644515     -1.952451     -0.487652
  H      -5.925607     -3.186276      0.832191
  H      -4.110491     -1.975489      1.962718
  H      -3.846107      0.316695      9.807776
  H      -4.111814      0.018154      8.108320
  H      -5.272915      2.551479      9.389191
  H      -7.397377      1.821066      8.712438
  H      -5.719401     -3.214135      7.846802
  H      -9.742294     -2.927167      5.666361
  H     -11.334043     -1.066640      5.151965
  H     -10.828473      1.249833      5.913311
  H      -8.789084      1.726296      7.204011
89
Coordinates from ORCA-job orca E -6144.749037835180
  N      -2.222156      4.834981      7.028102
  Mo     -2.664989      2.873015      6.937810
  N      -2.933276      1.758038      8.566667
  C      -1.823916      1.578475      9.500457
  C      -0.828812      2.713847      9.347388
  N      -0.612801      2.998742      7.910120
  C      -0.004135      4.344130      7.704760
  C      -1.102422      5.389122      7.747664
  C       0.182154      1.942031      7.232605
  C      -0.077707      2.008982      5.739795
  N      -1.508471      2.124136      5.500317
  H      -0.744531      6.328209      7.284370
  H      -1.379061      5.641893      8.793223
  H       0.460795      4.347059      6.711045
  H       0.784486      4.516588      8.456080
  H       0.340487      1.096670      5.274167
  H       0.464592      2.858784      5.272997
  H      -0.156809      0.971470      7.619338
  H       1.254601      2.053278      7.470335
  H      -2.190205      1.575106     10.543319
  H      -1.327961      0.596906      9.351897
  H      -1.245029      3.628564      9.792930
  H       0.128716      2.486819      9.849702
  C      -3.463140      5.556027      6.873302
  C      -4.332874      4.309801      6.871533
  C      -5.380215      4.003538      5.889215
  C      -5.403734      2.707586      5.473224
  N      -4.294960      1.938643      5.900835
  C      -4.280184      0.615962      5.599499
  N      -5.181812     -0.077602      4.944108
  C      -6.271072      0.631959      4.458242
  C      -7.254119     -0.059346      3.724024
  C      -8.343392      0.612731      3.188137
  C      -8.480053      1.995444      3.380941
  C      -7.531193      2.689052      4.124615
  C      -6.419028      2.028423      4.673315
  C      -1.845337      2.106309      4.075949
  C      -1.791698      0.722442      3.501221
  C      -2.600344      0.173405      2.569356
  C      -3.697315      0.833576      1.871081
  N      -3.704140      2.170288      1.804092
  C      -4.729682      2.761529      1.148364
  N      -5.725448      2.181962      0.504108
  C      -5.750431      0.815792      0.555717
  C      -6.808762      0.130570     -0.089653
  C      -6.893586     -1.243678     -0.013795
  C      -5.930634     -1.980220      0.713280
  C      -4.882134     -1.337010      1.340695
  C      -4.754083      0.071308      1.262824
  C      -4.054657      0.850762      8.856314
  C      -5.363316      1.566560      8.947359
  C      -6.585005      1.130417      8.575701
  C      -6.918863     -0.178278      8.021003
  N      -6.098472     -1.206609      8.264030
  C      -6.434557     -2.410476      7.744649
  N      -7.517961     -2.727812      7.060696
  C      -8.383840     -1.700714      6.806317
  C      -9.564454     -1.967571      6.070971
  C     -10.437960     -0.944626      5.768288
  C     -10.161222      0.379508      6.177736
  C      -9.022196      0.665433      6.901670
  C      -8.116736     -0.366741      7.249820
  H      -3.504186      6.130821      5.929537
  H      -3.675444      6.259079      7.706090
  H      -4.655845      4.102051      7.913783
  H      -6.139131      4.732584      5.598192
  H      -3.393385      0.077405      5.947546
  H      -7.123609     -1.132838      3.581342
  H      -9.090924      0.062813      2.613940
  H      -9.330743      2.528013      2.952512
  H      -7.647888      3.763344      4.279058
  H      -1.142564      2.767339      3.525663
  H      -2.836613      2.541182      3.908718
  H      -1.041151      0.061684      3.947167
  H      -2.458265     -0.884602      2.345667
  H      -4.712519      3.856473      1.145110
  H      -7.550546      0.726757     -0.622667
  H      -7.716023     -1.768205     -0.503491
  H      -6.022376     -3.065049      0.787838
  H      -4.168559     -1.919363      1.922191
  H      -3.870370      0.353712      9.828627
  H      -4.120872      0.025362      8.132720
  H      -5.295338      2.582692      9.348259
  H      -7.412970      1.833239      8.676063
  H      -5.720542     -3.218275      7.936041
  H      -9.744312     -2.994394      5.749483
  H     -11.342838     -1.151612      5.194034
  H     -10.846551      1.182954      5.904718
  H      -8.807578      1.696145      7.181258
89
Coordinates from ORCA-job orca E -6144.749112891889
  N      -2.214368      4.822581      6.983315
  Mo     -2.661017      2.860348      6.929309
  N      -2.947503      1.773036      8.573471
  C      -1.847912      1.610683      9.522291
  C      -0.846552      2.739050      9.355395
  N      -0.617719      2.995832      7.914757
  C      -0.003904      4.335178      7.687767
  C      -1.098244      5.385439      7.701479
  C       0.177848      1.923254      7.263455
  C      -0.066537      1.966279      5.766429
  N      -1.493102      2.092206      5.512311
  H      -0.730557      6.313155      7.222941
  H      -1.381781      5.660647      8.739555
  H       0.467835      4.318148      6.697441
  H       0.779981      4.520839      8.440987
  H       0.346937      1.041709      5.320791
  H       0.487975      2.803438      5.291404
  H      -0.170622      0.961514      7.663454
  H       1.248587      2.032606      7.509731
  H      -2.224851      1.631383     10.561164
  H      -1.353722      0.624877      9.399244
  H      -1.260165      3.664518      9.780538
  H       0.105843      2.516101      9.869338
  C      -3.452455      5.542666      6.803078
  C      -4.324476      4.297936      6.819369
  C      -5.365611      3.969863      5.836681
  C      -5.386579      2.664710      5.448542
  N      -4.280017      1.905831      5.897914
  C      -4.260974      0.577331      5.624369
  N      -5.160498     -0.132332      4.983362
  C      -6.249824      0.564813      4.480374
  C      -7.231928     -0.144411      3.762019
  C      -8.318317      0.514305      3.204948
  C      -8.454435      1.901841      3.361509
  C      -7.508072      2.613399      4.091081
  C      -6.398042      1.966296      4.660497
  C      -1.821555      2.092637      4.086234
  C      -1.792975      0.714747      3.496367
  C      -2.607431      0.193358      2.553459
  C      -3.688274      0.883235      1.859219
  N      -3.665398      2.220409      1.801990
  C      -4.682109      2.839425      1.158697
  N      -5.698426      2.287461      0.522031
  C      -5.750429      0.921607      0.558229
  C      -6.825774      0.265118     -0.088944
  C      -6.930433     -1.108880     -0.039370
  C      -5.973045     -1.873538      0.665269
  C      -4.911503     -1.258506      1.298787
  C      -4.762090      0.148985      1.246391
  C      -4.071345      0.870347      8.867392
  C      -5.379466      1.589699      8.936625
  C      -6.600248      1.147235      8.570017
  C      -6.931993     -0.173381      8.044881
  N      -6.110087     -1.194774      8.311897
  C      -6.443114     -2.410400      7.818304
  N      -7.524848     -2.743817      7.139024
  C      -8.391454     -1.723657      6.860351
  C      -9.570596     -2.008604      6.129119
  C     -10.445912     -0.994247      5.803665
  C     -10.172828      0.338829      6.185937
  C      -9.035414      0.642425      6.905251
  C      -8.128111     -0.380200      7.275806
  H      -3.484401      6.098166      5.847517
  H      -3.671056      6.262663      7.619571
  H      -4.653147      4.112483      7.863967
  H      -6.123597      4.691703      5.526114
  H      -3.373446      0.049222      5.986373
  H      -7.102131     -1.221374      3.649117
  H      -9.064834     -0.049150      2.642767
  H      -9.302824      2.424253      2.916350
  H      -7.624850      3.691344      4.217383
  H      -1.103591      2.745969      3.546266
  H      -2.802762      2.550251      3.918156
  H      -1.058600      0.033762      3.938654
  H      -2.485171     -0.864889      2.319143
  H      -4.638063      3.933728      1.160416
  H      -7.561792      0.882796     -0.605194
  H      -7.764383     -1.611717     -0.532361
  H      -6.079929     -2.958330      0.716532
  H      -4.202877     -1.862007      1.864721
  H      -3.895861      0.385890      9.847532
  H      -4.135005      0.035275      8.154472
  H      -5.311964      2.615358      9.312321
  H      -7.426588      1.854788      8.646972
  H      -5.728475     -3.213048      8.029449
  H      -9.748007     -3.042564      5.829848
  H     -11.349501     -1.215185      5.232550
  H     -10.859487      1.134908      5.895157
  H      -8.824222      1.679621      7.162542
89
Coordinates from ORCA-job orca E -6144.749157154007
  N      -2.213355      4.811626      6.955378
  Mo     -2.655501      2.848726      6.921346
  N      -2.953519      1.778000      8.574505
  C      -1.858701      1.623935      9.530415
  C      -0.856772      2.751419      9.359323
  N      -0.619694      2.995990      7.917708
  C      -0.007693      4.334497      7.681341
  C      -1.103651      5.383680      7.676193
  C       0.181605      1.918466      7.281051
  C      -0.051546      1.948402      5.781471
  N      -1.475575      2.075939      5.518130
  H      -0.732418      6.306262      7.190431
  H      -1.395049      5.670442      8.708961
  H       0.469631      4.308540      6.693885
  H       0.771230      4.530474      8.437075
  H       0.362680      1.018982      5.346485
  H       0.507532      2.781054      5.303735
  H      -0.169900      0.960066      7.686435
  H       1.250385      2.030393      7.534338
  H      -2.240987      1.653209     10.567081
  H      -1.363824      0.637436      9.416898
  H      -1.272507      3.680684      9.774008
  H       0.092670      2.532937      9.880567
  C      -3.450365      5.526942      6.752279
  C      -4.320421      4.280714      6.775499
  C      -5.353420      3.935635      5.789971
  C      -5.369941      2.623903      5.423601
  N      -4.265238      1.874832      5.891801
  C      -4.238861      0.542746      5.636789
  N      -5.132736     -0.179374      5.001804
  C      -6.223418      0.506310      4.486463
  C      -7.203544     -0.217937      3.780712
  C      -8.291298      0.428024      3.211808
  C      -8.431339      1.817698      3.343874
  C      -7.487434      2.544469      4.061394
  C      -6.376341      1.910116      4.643250
  C      -1.799850      2.088356      4.091522
  C      -1.795131      0.714223      3.494284
  C      -2.617563      0.212406      2.547731
  C      -3.687270      0.924203      1.858317
  N      -3.640935      2.261231      1.807664
  C      -4.650303      2.901002      1.173458
  N      -5.681263      2.370390      0.542249
  C      -5.754572      1.005230      0.567785
  C      -6.842286      0.370472     -0.080426
  C      -6.963465     -1.002640     -0.048885
  C      -6.012084     -1.788448      0.640063
  C      -4.940839     -1.195035      1.277603
  C      -4.774231      0.211364      1.243166
  C      -4.080401      0.879867      8.870344
  C      -5.386396      1.604670      8.923858
  C      -6.609064      1.161502      8.563610
  C      -6.945916     -0.168276      8.066547
  N      -6.132939     -1.188603      8.364190
  C      -6.471933     -2.414050      7.899454
  N      -7.551938     -2.756497      7.221842
  C      -8.409074     -1.737452      6.912045
  C      -9.585798     -2.032381      6.180596
  C     -10.451026     -1.020202      5.823196
  C     -10.169880      0.320224      6.172641
  C      -9.034901      0.633639      6.891587
  C      -8.138216     -0.385878      7.294545
  H      -3.472637      6.069889      5.789202
  H      -3.679305      6.257039      7.556957
  H      -4.656954      4.107324      7.819897
  H      -6.111115      4.650589      5.463364
  H      -3.350485      0.023532      6.009838
  H      -7.071319     -1.296566      3.687876
  H      -9.036616     -0.146667      2.659562
  H      -9.280288      2.330096      2.888324
  H      -7.607356      3.624018      4.169163
  H      -1.069461      2.732113      3.556641
  H      -2.771822      2.566422      3.924471
  H      -1.072282      0.018507      3.933122
  H      -2.510979     -0.846142      2.307159
  H      -4.586393      3.994341      1.178314
  H      -7.572899      1.003788     -0.585401
  H      -7.805811     -1.488624     -0.544515
  H      -6.131780     -2.872498      0.675649
  H      -4.236780     -1.813990      1.832581
  H      -3.911926      0.402577      9.855125
  H      -4.143470      0.038908      8.164149
  H      -5.315005      2.637783      9.277818
  H      -7.430809      1.876147      8.621875
  H      -5.765539     -3.216750      8.136617
  H      -9.769310     -3.072418      5.907213
  H     -11.352885     -1.249017      5.252449
  H     -10.848024      1.113953      5.856470
  H      -8.818360      1.675591      7.124360
89
Coordinates from ORCA-job orca E -6144.749186022500
  N      -2.217440      4.802619      6.946333
  Mo     -2.655400      2.840090      6.922705
  N      -2.956096      1.784781      8.585363
  C      -1.860566      1.636605      9.541604
  C      -0.858083      2.762358      9.360942
  N      -0.621116      2.994228      7.917090
  C      -0.009304      4.330226      7.667725
  C      -1.104430      5.380872      7.656829
  C       0.180238      1.909990      7.290646
  C      -0.051672      1.925492      5.790791
  N      -1.474578      2.058191      5.525451
  H      -0.733484      6.297696      7.160003
  H      -1.391501      5.679252      8.687459
  H       0.463929      4.294976      6.678647
  H       0.772666      4.532607      8.418609
  H       0.358240      0.990188      5.364587
  H       0.512320      2.750723      5.305474
  H      -0.172183      0.955915      7.705323
  H       1.248863      2.023551      7.543730
  H      -2.241764      1.673787     10.578359
  H      -1.367509      0.648640      9.434115
  H      -1.274779      3.694839      9.767437
  H       0.091260      2.548900      9.884331
  C      -3.454048      5.515400      6.735467
  C      -4.322888      4.268159      6.763096
  C      -5.350665      3.914045      5.774994
  C      -5.364453      2.599174      5.419972
  N      -4.262019      1.854603      5.899550
  C      -4.232152      0.520912      5.654857
  N      -5.122033     -0.207467      5.021007
  C      -6.211836      0.473161      4.496748
  C      -7.187813     -0.257675      3.792139
  C      -8.273363      0.382706      3.212800
  C      -8.415155      1.773150      3.332618
  C      -7.475269      2.506803      4.048321
  C      -6.366628      1.878162      4.640882
  C      -1.798423      2.081111      4.098987
  C      -1.808702      0.710892      3.494048
  C      -2.635848      0.221174      2.545152
  C      -3.702510      0.943278      1.861552
  N      -3.656217      2.280926      1.829956
  C      -4.663351      2.929060      1.200281
  N      -5.690184      2.406829      0.555721
  C      -5.761981      1.041213      0.560241
  C      -6.843178      0.414193     -0.105951
  C      -6.960483     -0.959573     -0.098462
  C      -6.012232     -1.754379      0.584445
  C      -4.947913     -1.168724      1.240153
  C      -4.785211      0.238454      1.230096
  C      -4.085323      0.891706      8.886064
  C      -5.389114      1.620627      8.932955
  C      -6.612432      1.178163      8.574330
  C      -6.949043     -0.154607      8.086173
  N      -6.137208     -1.172970      8.393940
  C      -6.475846     -2.401807      7.937690
  N      -7.552285     -2.748080      7.256497
  C      -8.407175     -1.730737      6.935136
  C      -9.580839     -2.030164      6.200450
  C     -10.444570     -1.020088      5.833475
  C     -10.164515      0.322410      6.175770
  C      -9.032401      0.640079      6.897346
  C      -8.137780     -0.376974      7.310329
  H      -3.473787      6.054596      5.770059
  H      -3.686083      6.248580      7.536532
  H      -4.665827      4.103560      7.806708
  H      -6.108401      4.624958      5.439857
  H      -3.344261      0.006053      6.035505
  H      -7.053474     -1.336817      3.708527
  H      -9.015620     -0.196834      2.661500
  H      -9.261775      2.280979      2.867682
  H      -7.595805      3.587231      4.145820
  H      -1.060100      2.718909      3.567423
  H      -2.764048      2.572838      3.934217
  H      -1.089730      0.006777      3.926162
  H      -2.533528     -0.835862      2.296206
  H      -4.600590      4.022410      1.220720
  H      -7.571554      1.053657     -0.606451
  H      -7.797295     -1.439560     -0.609158
  H      -6.129159     -2.839157      0.600233
  H      -4.245691     -1.794250      1.790138
  H      -3.918794      0.418747      9.873154
  H      -4.149588      0.047439      8.183539
  H      -5.314871      2.656003      9.279608
  H      -7.433046      1.894759      8.627356
  H      -5.771770     -3.203693      8.184440
  H      -9.763350     -3.071891      5.932947
  H     -11.344316     -1.252349      5.260759
  H     -10.840915      1.114388      5.851525
  H      -8.817344      1.683357      7.125888
89
Coordinates from ORCA-job orca E -6144.749205757436
  N      -2.222648      4.801638      6.960766
  Mo     -2.654994      2.839491      6.925631
  N      -2.952674      1.783147      8.589170
  C      -1.851957      1.628471      9.538399
  C      -0.851934      2.756483      9.359903
  N      -0.618615      2.993343      7.916136
  C      -0.010112      4.331344      7.669877
  C      -1.107299      5.380302      7.667174
  C       0.184690      1.912338      7.285533
  C      -0.051165      1.930433      5.786430
  N      -1.475263      2.061406      5.525265
  H      -0.740459      6.298831      7.170478
  H      -1.389981      5.676227      8.699669
  H       0.458588      4.300419      6.678509
  H       0.774657      4.532162      8.418177
  H       0.358960      0.997353      5.355894
  H       0.510655      2.757752      5.302001
  H      -0.164063      0.956786      7.699837
  H       1.253481      2.028687      7.536538
  H      -2.227324      1.657610     10.577496
  H      -1.359319      0.641524      9.420678
  H      -1.271183      3.686180      9.770184
  H       0.098771      2.544062      9.881060
  C      -3.458896      5.513898      6.749206
  C      -4.325957      4.265250      6.765292
  C      -5.346408      3.913293      5.769252
  C      -5.359135      2.598172      5.415005
  N      -4.260097      1.853535      5.901704
  C      -4.232360      0.518881      5.663590
  N      -5.121217     -0.210536      5.029330
  C      -6.205346      0.470940      4.494096
  C      -7.177070     -0.260224      3.783945
  C      -8.256121      0.380897      3.193190
  C      -8.395426      1.771993      3.307135
  C      -7.459864      2.506105      4.027925
  C      -6.357495      1.876990      4.631252
  C      -1.805242      2.083642      4.100041
  C      -1.823174      0.712863      3.497327
  C      -2.655570      0.222219      2.553128
  C      -3.726566      0.942020      1.873875
  N      -3.691934      2.280219      1.855085
  C      -4.703264      2.925437      1.228737
  N      -5.721970      2.400229      0.574017
  C      -5.782319      1.033933      0.566847
  C      -6.856030      0.402965     -0.107588
  C      -6.963661     -0.971671     -0.108249
  C      -6.012551     -1.763958      0.573773
  C      -4.954564     -1.174396      1.235888
  C      -4.802115      0.233716      1.234351
  C      -4.083702      0.893362      8.892015
  C      -5.385967      1.624661      8.941573
  C      -6.610083      1.184598      8.582748
  C      -6.947017     -0.148104      8.094128
  N      -6.141224     -1.168345      8.411523
  C      -6.481486     -2.397607      7.957499
  N      -7.553313     -2.742059      7.268361
  C      -8.401484     -1.722559      6.936191
  C      -9.570195     -2.019989      6.192858
  C     -10.427361     -1.007925      5.816054
  C     -10.145028      0.334506      6.156478
  C      -9.017776      0.650155      6.886535
  C      -8.130346     -0.368787      7.309868
  H      -3.474950      6.060587      5.787855
  H      -3.695283      6.240834      7.554769
  H      -4.676638      4.095365      7.805074
  H      -6.102113      4.624403      5.429981
  H      -3.348701      0.002765      6.052396
  H      -7.044170     -1.339995      3.705185
  H      -8.995228     -0.198479      2.637446
  H      -9.236903      2.279981      2.833082
  H      -7.578221      3.587185      4.120553
  H      -1.065277      2.716257      3.564304
  H      -2.768203      2.581330      3.937456
  H      -1.101524      0.008846      3.925403
  H      -2.551957     -0.834698      2.304381
  H      -4.651653      4.019137      1.261272
  H      -7.587333      1.039745     -0.607252
  H      -7.795029     -1.454593     -0.625108
  H      -6.122584     -2.849466      0.583570
  H      -4.248907     -1.797486      1.784481
  H      -3.915850      0.418390      9.877880
  H      -4.150765      0.049954      8.188192
  H      -5.309003      2.659142      9.290117
  H      -7.429886      1.902103      8.637374
  H      -5.783570     -3.201827      8.214118
  H      -9.754128     -3.061848      5.926866
  H     -11.323272     -1.238706      5.236744
  H     -10.815492      1.128063      5.823873
  H      -8.801036      1.693199      7.114465
89
Coordinates from ORCA-job orca E -6144.749225983582
  N      -2.220944      4.792767      6.945619
  Mo     -2.652146      2.831331      6.920813
  N      -2.955206      1.787920      8.593041
  C      -1.855074      1.635938      9.543386
  C      -0.855375      2.763364      9.361198
  N      -0.618609      2.991657      7.916571
  C      -0.010033      4.328633      7.664062
  C      -1.108146      5.377064      7.651323
  C       0.186347      1.906170      7.294746
  C      -0.044261      1.915330      5.794722
  N      -1.466993      2.049068      5.529612
  H      -0.741045      6.292558      7.149368
  H      -1.393862      5.679558      8.681048
  H       0.461542      4.291692      6.674266
  H       0.771942      4.534375      8.413823
  H       0.364010      0.978416      5.370431
  H       0.521680      2.738058      5.306938
  H      -0.165455      0.953675      7.713482
  H       1.254194      2.022682      7.549301
  H      -2.230568      1.667768     10.582343
  H      -1.362536      0.648496      9.428862
  H      -1.277777      3.694785      9.764388
  H       0.093981      2.555790      9.886653
  C      -3.455049      5.503355      6.716356
  C      -4.322039      4.254326      6.735247
  C      -5.335320      3.892998      5.735318
  C      -5.348114      2.573276      5.397798
  N      -4.252198      1.834147      5.899292
  C      -4.223221      0.496655      5.677816
  N      -5.110869     -0.240989      5.051555
  C      -6.192947      0.434075      4.503806
  C      -7.163784     -0.306884      3.802681
  C      -8.241056      0.326483      3.200166
  C      -8.378363      1.719408      3.292123
  C      -7.443831      2.463381      4.003885
  C      -6.344104      1.842240      4.620004
  C      -1.795032      2.083082      4.104596
  C      -1.827564      0.716162      3.495887
  C      -2.668215      0.236897      2.552874
  C      -3.738217      0.967269      1.883458
  N      -3.705530      2.305819      1.887991
  C      -4.716425      2.960661      1.271045
  N      -5.731487      2.445991      0.602679
  C      -5.789809      1.079919      0.571237
  C      -6.860143      0.459339     -0.117939
  C      -6.968133     -0.915173     -0.139542
  C      -6.020960     -1.717842      0.535707
  C      -4.965267     -1.138280      1.210222
  C      -4.811963      0.269310      1.229481
  C      -4.089569      0.904254      8.900893
  C      -5.390628      1.638549      8.941160
  C      -6.614814      1.197374      8.583266
  C      -6.953240     -0.140284      8.108027
  N      -6.153411     -1.159281      8.443471
  C      -6.497271     -2.393350      8.005668
  N      -7.567605     -2.743317      7.317067
  C      -8.409770     -1.725102      6.966346
  C      -9.576547     -2.027863      6.222251
  C     -10.427044     -1.017285      5.826767
  C     -10.139104      0.328673      6.147762
  C      -9.013469      0.649643      6.878049
  C      -8.133408     -0.367237      7.321020
  H      -3.461855      6.041168      5.749938
  H      -3.699064      6.237593      7.513012
  H      -4.681641      4.093716      7.773526
  H      -6.089177      4.600514      5.384557
  H      -3.340896     -0.015340      6.075395
  H      -7.031561     -1.387837      3.740161
  H      -8.979743     -0.260246      2.651675
  H      -9.217739      2.221002      2.807683
  H      -7.561057      3.545849      4.080117
  H      -1.047336      2.709927      3.572631
  H      -2.751725      2.593472      3.943477
  H      -1.109580      0.004681      3.918169
  H      -2.572575     -0.819279      2.298383
  H      -4.668626      4.053640      1.326255
  H      -7.589327      1.103314     -0.611414
  H      -7.797422     -1.389979     -0.667165
  H      -6.132278     -2.803235      0.530915
  H      -4.262264     -1.769364      1.753054
  H      -3.924851      0.436609      9.890713
  H      -4.156200      0.055089      8.203573
  H      -5.312197      2.675641      9.281538
  H      -7.433723      1.916510      8.630164
  H      -5.803986     -3.196684      8.276332
  H      -9.764364     -3.072643      5.970847
  H     -11.321594     -1.252339      5.247089
  H     -10.803763      1.120507      5.799822
  H      -8.791801      1.694721      7.091340
89
Coordinates from ORCA-job orca E -6144.749245523156
  N      -2.222085      4.784887      6.936507
  Mo     -2.650982      2.823859      6.919334
  N      -2.957033      1.791506      8.598845
  C      -1.857309      1.644158      9.550353
  C      -0.858322      2.771284      9.363057
  N      -0.619070      2.991702      7.917650
  C      -0.011030      4.327859      7.658663
  C      -1.110205      5.375158      7.638704
  C       0.187412      1.903626      7.302457
  C      -0.040005      1.905635      5.801611
  N      -1.461768      2.039336      5.533961
  H      -0.744581      6.287793      7.130659
  H      -1.396525      5.683687      8.666471
  H       0.462082      4.286157      6.669728
  H       0.769383      4.538013      8.408810
  H       0.368095      0.966162      5.382483
  H       0.527026      2.725544      5.310629
  H      -0.165185      0.953010      7.724769
  H       1.254590      2.021572      7.558831
  H      -2.233021      1.680413     10.589101
  H      -1.363920      0.656517      9.440805
  H      -1.283568      3.704278      9.759588
  H       0.090304      2.568842      9.891875
  C      -3.455292      5.493217      6.694981
  C      -4.320631      4.242704      6.715247
  C      -5.326549      3.873417      5.710394
  C      -5.337999      2.550342      5.385417
  N      -4.245955      1.815680      5.901530
  C      -4.216375      0.476001      5.694448
  N      -5.101788     -0.268051      5.072727
  C      -6.180015      0.401765      4.511393
  C      -7.148430     -0.346438      3.814595
  C      -8.220801      0.281214      3.197494
  C      -8.355059      1.675679      3.269394
  C      -7.422998      2.427038      3.976433
  C      -6.329186      1.811641      4.608658
  C      -1.789815      2.077853      4.108655
  C      -1.834853      0.713481      3.495608
  C      -2.683727      0.244110      2.554819
  C      -3.752997      0.983622      1.894533
  N      -3.719851      2.322015      1.916620
  C      -4.729877      2.985408      1.308373
  N      -5.744013      2.480649      0.630987
  C      -5.803217      1.115376      0.580611
  C      -6.872435      0.505139     -0.119516
  C      -6.982143     -0.868881     -0.159457
  C      -6.037863     -1.681413      0.507780
  C      -4.982753     -1.111822      1.192125
  C      -4.827221      0.295258      1.230053
  C      -4.093664      0.913404      8.913975
  C      -5.393133      1.650720      8.944063
  C      -6.616496      1.208426      8.585344
  C      -6.955405     -0.132425      8.119031
  N      -6.158641     -1.150287      8.465153
  C      -6.502194     -2.386681      8.033815
  N      -7.570069     -2.739876      7.342792
  C      -8.409039     -1.722754      6.981187
  C      -9.572563     -2.028217      6.233300
  C     -10.419364     -1.018696      5.827171
  C     -10.130881      0.328927      6.140796
  C      -9.008158      0.652719      6.874311
  C      -8.132177     -0.362911      7.328283
  H      -3.456322      6.024667      5.725057
  H      -3.705542      6.232249      7.485171
  H      -4.686989      4.087222      7.752191
  H      -6.077975      4.577893      5.348454
  H      -3.335274     -0.032128      6.099540
  H      -7.018679     -1.428409      3.767142
  H      -8.957402     -0.311115      2.652267
  H      -9.189700      2.172620      2.772204
  H      -7.537514      3.510798      4.036766
  H      -1.036506      2.699108      3.578099
  H      -2.742013      2.597402      3.948588
  H      -1.119439     -0.004057      3.911899
  H      -2.596326     -0.811388      2.295238
  H      -4.682800      4.077344      1.380561
  H      -7.599844      1.156101     -0.606393
  H      -7.810914     -1.335383     -0.695181
  H      -6.150139     -2.766634      0.489023
  H      -4.281667     -1.751051      1.727530
  H      -3.931619      0.456227      9.909175
  H      -4.160689      0.057235      8.225765
  H      -5.314164      2.690147      9.277459
  H      -7.434853      1.928702      8.623697
  H      -5.811410     -3.189275      8.313143
  H      -9.760899     -3.074234      5.987471
  H     -11.311305     -1.256121      5.244484
  H     -10.792519      1.119585      5.784573
  H      -8.784351      1.698643      7.081333
89
Coordinates from ORCA-job orca E -6144.749257501728
  N      -2.222541      4.779778      6.927935
  Mo     -2.651557      2.818826      6.919812
  N      -2.957545      1.792622      8.603649
  C      -1.859032      1.652848      9.557578
  C      -0.860926      2.779880      9.364851
  N      -0.619842      2.992732      7.918829
  C      -0.011555      4.327796      7.653796
  C      -1.111143      5.374502      7.627317
  C       0.185873      1.901823      7.308782
  C      -0.039413      1.899232      5.807243
  N      -1.460458      2.033229      5.537210
  H      -0.746394      6.284683      7.114383
  H      -1.397801      5.687900      8.653549
  H       0.463721      4.281864      6.666073
  H       0.767271      4.541420      8.404666
  H       0.368639      0.957782      5.392282
  H       0.528274      2.717221      5.314206
  H      -0.168183      0.952828      7.733572
  H       1.252948      2.019390      7.565851
  H      -2.236316      1.695518     10.595520
  H      -1.363385      0.665431      9.455821
  H      -1.287363      3.714803      9.755474
  H       0.087271      2.581451      9.896116
  C      -3.455614      5.486620      6.680002
  C      -4.320040      4.235484      6.704976
  C      -5.324044      3.860682      5.699696
  C      -5.334726      2.535834      5.382080
  N      -4.244425      1.804517      5.906172
  C      -4.213651      0.463803      5.707265
  N      -5.096793     -0.284280      5.087158
  C      -6.172969      0.381777      4.517986
  C      -7.138780     -0.370376      3.821713
  C      -8.207988      0.253702      3.195754
  C      -8.341274      1.648848      3.256747
  C      -7.411368      2.404309      3.962006
  C      -6.321904      1.792349      4.605066
  C      -1.787793      2.074946      4.111685
  C      -1.839033      0.711968      3.495339
  C      -2.691843      0.249701      2.554551
  C      -3.757380      0.995697      1.896252
  N      -3.717425      2.333912      1.918905
  C      -4.723551      3.003062      1.311663
  N      -5.740944      2.504372      0.634288
  C      -5.807824      1.139698      0.582856
  C      -6.880165      0.536200     -0.118448
  C      -6.996097     -0.837241     -0.162537
  C      -6.054997     -1.655734      0.501539
  C      -4.997545     -1.092703      1.188121
  C      -4.835429      0.313730      1.230595
  C      -4.093922      0.916427      8.925744
  C      -5.393650      1.653571      8.946505
  C      -6.615405      1.209278      8.585140
  C      -6.954545     -0.132608      8.122145
  N      -6.160017     -1.150791      8.472736
  C      -6.503645     -2.387605      8.042850
  N      -7.570881     -2.741250      7.350783
  C      -8.408360     -1.724044      6.985971
  C      -9.571512     -2.029777      6.237759
  C     -10.416862     -1.020312      5.828556
  C     -10.127592      0.327836      6.139404
  C      -9.005160      0.652106      6.873120
  C      -8.130677     -0.363545      7.330455
  H      -3.455077      6.011419      5.706460
  H      -3.707982      6.230716      7.464597
  H      -4.686554      4.082813      7.742652
  H      -6.073824      4.563440      5.331120
  H      -3.333222     -0.040998      6.117663
  H      -7.010189     -1.452804      3.782016
  H      -8.942265     -0.341986      2.651077
  H      -9.172222      2.143204      2.750920
  H      -7.523948      3.488797      4.012073
  H      -1.031393      2.694091      3.583240
  H      -2.738330      2.597958      3.951589
  H      -1.127026     -0.009942      3.909685
  H      -2.612384     -0.806003      2.293470
  H      -4.670169      4.094609      1.384810
  H      -7.604641      1.191771     -0.603525
  H      -7.827131     -1.298148     -0.699550
  H      -6.170837     -2.740580      0.479013
  H      -4.299018     -1.737424      1.720142
  H      -3.933399      0.470839      9.926531
  H      -4.159776      0.052716      8.247395
  H      -5.316609      2.694737      9.275077
  H      -7.433948      1.929607      8.616853
  H      -5.813876     -3.190194      8.325042
  H      -9.760830     -3.076087      5.993890
  H     -11.308349     -1.258269      5.245403
  H     -10.788445      1.118273      5.781236
  H      -8.779467      1.698219      7.077276
89
Coordinates from ORCA-job orca E -6144.749262649062
  N      -2.225926      4.778294      6.931345
  Mo     -2.651674      2.817055      6.921918
  N      -2.954335      1.790452      8.606376
  C      -1.854093      1.651433      9.558326
  C      -0.857517      2.779745      9.364649
  N      -0.618417      2.993502      7.918382
  C      -0.012949      4.329849      7.653551
  C      -1.114379      5.374790      7.628826
  C       0.187990      1.904168      7.306784
  C      -0.039565      1.902040      5.805519
  N      -1.461265      2.033727      5.537561
  H      -0.751997      6.285567      7.115275
  H      -1.399635      5.687691      8.655608
  H       0.461821      4.285547      6.665564
  H       0.766085      4.544389      8.403980
  H       0.369420      0.961516      5.389469
  H       0.526048      2.721461      5.312450
  H      -0.163739      0.954475      7.731902
  H       1.255376      2.023263      7.562103
  H      -2.229637      1.693452     10.596914
  H      -1.357215      0.664707      9.455692
  H      -1.284326      3.714056      9.756281
  H       0.091584      2.582044      9.894593
  C      -3.459696      5.483388      6.682136
  C      -4.322048      4.230843      6.704871
  C      -5.323404      3.854452      5.697411
  C      -5.332910      2.529056      5.381369
  N      -4.243605      1.798875      5.908865
  C      -4.212386      0.457753      5.713135
  N      -5.094297     -0.291793      5.092821
  C      -6.168945      0.373146      4.519627
  C      -7.133345     -0.380209      3.822552
  C      -8.200752      0.242778      3.192604
  C      -8.333373      1.638153      3.249542
  C      -7.404867      2.394904      3.955146
  C      -6.317622      1.784022      4.602971
  C      -1.791309      2.076303      4.112969
  C      -1.842980      0.713710      3.495105
  C      -2.697744      0.252371      2.555257
  C      -3.764628      0.998002      1.899435
  N      -3.729942      2.336263      1.928626
  C      -4.737431      3.005038      1.323651
  N      -5.751756      2.506224      0.641743
  C      -5.813335      1.141618      0.583172
  C      -6.881952      0.538106     -0.123756
  C      -6.992244     -0.835453     -0.176817
  C      -6.049268     -1.654167      0.484095
  C      -4.995939     -1.091176      1.176876
  C      -4.839237      0.315592      1.228402
  C      -4.090671      0.914998      8.930721
  C      -5.389692      1.653698      8.949693
  C      -6.611946      1.211600      8.587531
  C      -6.954635     -0.129797      8.126166
  N      -6.164504     -1.150194      8.479958
  C      -6.512777     -2.386629      8.052789
  N      -7.581495     -2.737738      7.361707
  C      -8.414186     -1.718037      6.993168
  C      -9.577961     -2.020903      6.244700
  C     -10.417391     -1.008868      5.829879
  C     -10.121650      0.339097      6.135435
  C      -8.998905      0.660631      6.869844
  C      -8.130389     -0.357634      7.332942
  H      -3.458625      6.009129      5.708998
  H      -3.714433      6.226392      7.467006
  H      -4.690386      4.076390      7.741694
  H      -6.072236      4.556523      5.325665
  H      -3.332576     -0.046077      6.126235
  H      -7.004781     -1.462858      3.785541
  H      -8.933747     -0.353891      2.647294
  H      -9.162323      2.131760      2.739720
  H      -7.516605      3.479654      4.001269
  H      -1.036466      2.696791      3.583817
  H      -2.742845      2.597910      3.954464
  H      -1.129898     -0.008462      3.907047
  H      -2.618133     -0.802959      2.292681
  H      -4.687631      4.096347      1.402471
  H      -7.607838      1.193846     -0.606504
  H      -7.820151     -1.296316     -0.718705
  H      -6.160313     -2.739299      0.454019
  H      -4.296108     -1.736820      1.706023
  H      -3.930537      0.472776      9.933054
  H      -4.157088      0.049127      8.255268
  H      -5.311313      2.694825      9.277884
  H      -7.429161      1.933538      8.618410
  H      -5.826043     -3.191040      8.337037
  H      -9.772275     -3.067186      6.004700
  H     -11.309094     -1.244662      5.246159
  H     -10.777782      1.131371      5.772654
  H      -8.768251      1.706441      7.069961
89
Coordinates from ORCA-job orca E -6144.749266242498
  N      -2.226543      4.780466      6.934045
  Mo     -2.653241      2.819084      6.924486
  N      -2.953481      1.790250      8.608013
  C      -1.852350      1.651276      9.558800
  C      -0.855522      2.779392      9.364544
  N      -0.618174      2.994049      7.918151
  C      -0.012829      4.330314      7.653338
  C      -1.113747      5.375929      7.630178
  C       0.186774      1.904598      7.305118
  C      -0.043252      1.902603      5.804339
  N      -1.465359      2.034652      5.538197
  H      -0.751198      6.286530      7.116388
  H      -1.397210      5.688982      8.657433
  H       0.461299      4.286222      6.665076
  H       0.767012      4.544489      8.403075
  H       0.365070      0.962144      5.387694
  H       0.521903      2.722213      5.310924
  H      -0.164238      0.954965      7.730913
  H       1.254789      2.023224      7.558282
  H      -2.227066      1.694001     10.597685
  H      -1.355829      0.664383      9.456199
  H      -1.280598      3.713799      9.757798
  H       0.094185      2.580179      9.892851
  C      -3.460474      5.486068      6.687374
  C      -4.323089      4.234049      6.710054
  C      -5.325557      3.858909      5.703571
  C      -5.335753      2.533749      5.386396
  N      -4.246667      1.802698      5.912909
  C      -4.215302      0.461925      5.715004
  N      -5.096432     -0.286448      5.092039
  C      -6.170835      0.379525      4.519662
  C      -7.134345     -0.372282      3.819664
  C      -8.202095      0.251760      3.191477
  C      -8.336184      1.646766      3.253205
  C      -7.408408      2.402063      3.961374
  C      -6.320462      1.790060      4.607062
  C      -1.797421      2.074293      4.114317
  C      -1.848413      0.710054      3.498829
  C      -2.700990      0.247622      2.557303
  C      -3.763672      0.993344      1.895219
  N      -3.725355      2.331593      1.918923
  C      -4.729258      3.001021      1.308711
  N      -5.743983      2.502260      0.627391
  C      -5.809072      1.137496      0.574252
  C      -6.878303      0.534328     -0.132067
  C      -6.991503     -0.839061     -0.181748
  C      -6.051081     -1.657969      0.482493
  C      -4.997944     -1.095534      1.175749
  C      -4.838365      0.311076      1.224171
  C      -4.089294      0.914508      8.933666
  C      -5.388889      1.652299      8.951047
  C      -6.610730      1.209413      8.588595
  C      -6.952835     -0.131963      8.127457
  N      -6.161874     -1.151957      8.480497
  C      -6.509377     -2.388429      8.052724
  N      -7.577789     -2.739742      7.361383
  C      -8.411121     -1.720463      6.993356
  C      -9.574511     -2.023983      6.244403
  C     -10.414388     -1.012465      5.829347
  C     -10.119610      0.335597      6.135372
  C      -8.997463      0.657698      6.870433
  C      -8.128407     -0.360012      7.333710
  H      -3.460818      6.013158      5.714898
  H      -3.713740      6.228133      7.473644
  H      -4.689243      4.077628      7.747395
  H      -6.073215      4.562044      5.331513
  H      -3.336429     -0.042678      6.129180
  H      -7.004601     -1.454726      3.779305
  H      -8.934416     -0.343830      2.644062
  H      -9.165428      2.141393      2.744833
  H      -7.521012      3.486589      4.010493
  H      -1.044435      2.695189      3.583051
  H      -2.750224      2.593461      3.955787
  H      -1.137676     -0.012335      3.914393
  H      -2.622248     -0.808548      2.297545
  H      -4.675398      4.092553      1.382136
  H      -7.601843      1.190623     -0.617598
  H      -7.819474     -1.299647     -0.723813
  H      -6.164105     -2.742900      0.454410
  H      -4.300682     -1.741845      1.707554
  H      -3.929450      0.475860      9.937658
  H      -4.154788      0.046515      8.260828
  H      -5.311413      2.693578      9.278816
  H      -7.428450      1.930876      8.619072
  H      -5.822029     -3.192438      8.336560
  H      -9.768156     -3.070336      6.004163
  H     -11.305711     -1.248658      5.245180
  H     -10.776044      1.127494      5.772283
  H      -8.768316      1.703738      7.071074
89
Coordinates from ORCA-job orca E -6144.749269746773
  N      -2.228099      4.777297      6.929718
  Mo     -2.654083      2.816042      6.925344
  N      -2.954680      1.792406      8.612489
  C      -1.852658      1.655253      9.562465
  C      -0.855782      2.782802      9.364994
  N      -0.618818      2.993644      7.917953
  C      -0.013908      4.329157      7.649029
  C      -1.114746      5.375042      7.622768
  C       0.185979      1.902123      7.308126
  C      -0.044148      1.895304      5.807383
  N      -1.466032      2.028514      5.541325
  H      -0.752052      6.283400      7.105097
  H      -1.397152      5.692476      8.648982
  H       0.459997      4.281920      6.660792
  H       0.766103      4.545988      8.397824
  H       0.362821      0.953071      5.393436
  H       0.522087      2.712870      5.311669
  H      -0.165161      0.953958      7.737079
  H       1.254081      2.021216      7.560662
  H      -2.226394      1.700632     10.601613
  H      -1.356631      0.667964      9.461624
  H      -1.280524      3.718261      9.756117
  H       0.094026      2.584668      9.893508
  C      -3.461276      5.481975      6.677590
  C      -4.323467      4.229868      6.700720
  C      -5.322216      3.850878      5.692319
  C      -5.332464      2.523787      5.382721
  N      -4.246007      1.795235      5.917497
  C      -4.214230      0.453433      5.727450
  N      -5.093567     -0.298170      5.105808
  C      -6.165404      0.365093      4.525592
  C      -7.126252     -0.390218      3.825742
  C      -8.190765      0.230736      3.189132
  C      -8.324553      1.626124      3.242480
  C      -7.399750      2.385061      3.950623
  C      -6.314708      1.776232      4.604233
  C      -1.799652      2.070966      4.118129
  C      -1.857809      0.707613      3.501412
  C      -2.711394      0.250670      2.557998
  C      -3.768867      1.002285      1.894413
  N      -3.725700      2.340320      1.922381
  C      -4.726012      3.015429      1.312532
  N      -5.741980      2.522552      0.628785
  C      -5.811344      1.158116      0.570536
  C      -6.881816      0.561017     -0.139109
  C      -6.998884     -0.811792     -0.195107
  C      -6.061185     -1.636298      0.466084
  C      -5.007302     -1.079925      1.162941
  C      -4.844095      0.325944      1.218266
  C      -4.091456      0.919597      8.942549
  C      -5.390690      1.658112      8.954673
  C      -6.612202      1.214294      8.592323
  C      -6.953555     -0.129060      8.136491
  N      -6.164703     -1.147844      8.497812
  C      -6.512220     -2.386447      8.076028
  N      -7.578346     -2.740316      7.382522
  C      -8.409114     -1.722224      7.005607
  C      -9.570283     -2.028826      6.254339
  C     -10.407810     -1.018824      5.830926
  C     -10.112556      0.330598      6.130379
  C      -8.992707      0.655635      6.867674
  C      -8.126473     -0.360286      7.339761
  H      -3.458805      6.006942      5.703949
  H      -3.717076      6.225754      7.461465
  H      -4.692303      4.075298      7.737268
  H      -6.067361      4.552826      5.313099
  H      -3.337408     -0.049277      6.148184
  H      -6.996631     -1.472883      3.792206
  H      -8.921010     -0.367521      2.641822
  H      -9.151273      2.118225      2.727587
  H      -7.512163      3.469874      3.993178
  H      -1.044617      2.688987      3.586426
  H      -2.750205      2.594914      3.961069
  H      -1.151810     -0.019207      3.917478
  H      -2.637396     -0.805712      2.297674
  H      -4.668106      4.106565      1.389430
  H      -7.602948      1.221608     -0.622415
  H      -7.827655     -1.267626     -0.739973
  H      -6.177045     -2.720766      0.432610
  H      -4.312436     -1.730788      1.692522
  H      -3.932809      0.487812      9.949738
  H      -4.156727      0.047023      8.275338
  H      -5.313095      2.700598      9.278557
  H      -7.429836      1.936123      8.618523
  H      -5.826993     -3.189728      8.367055
  H      -9.764209     -3.076314      6.019306
  H     -11.297419     -1.257339      5.245085
  H     -10.766636      1.121163      5.760221
  H      -8.763642      1.702599      7.063620
89
Coordinates from ORCA-job orca E -6144.749171917468
  N      -2.231420      4.773319      6.925913
  Mo     -2.654641      2.812023      6.927947
  N      -2.951472      1.794278      8.619882
  C      -1.846895      1.660744      9.567387
  C      -0.851564      2.788687      9.364269
  N      -0.617523      2.995207      7.916088
  C      -0.014912      4.330601      7.641688
  C      -1.117111      5.375215      7.613686
  C       0.187138      1.902468      7.308302
  C      -0.045635      1.890569      5.807929
  N      -1.467914      2.022413      5.544289
  H      -0.756608      6.281664      7.091151
  H      -1.397166      5.696831      8.639260
  H       0.457676      4.280682      6.652921
  H       0.765922      4.551122      8.388566
  H       0.360801      0.947119      5.396121
  H       0.519413      2.706898      5.308784
  H      -0.162348      0.955420      7.741074
  H       1.255628      2.023231      7.558330
  H      -2.217917      1.708954     10.607395
  H      -1.350076      0.673659      9.468324
  H      -1.276463      3.724958      9.753264
  H       0.099467      2.593126      9.891588
  C      -3.464986      5.475540      6.669015
  C      -4.325487      4.222220      6.694339
  C      -5.322112      3.838386      5.685430
  C      -5.339317      2.508085      5.388822
  N      -4.258651      1.778220      5.933062
  C      -4.235472      0.434124      5.758482
  N      -5.119186     -0.318565      5.144427
  C      -6.185248      0.345395      4.554704
  C      -7.150193     -0.411249      3.861931
  C      -8.208928      0.209724      3.215861
  C      -8.332707      1.606600      3.252277
  C      -7.404002      2.367278      3.953364
  C      -6.324811      1.758458      4.616619
  C      -1.803934      2.066885      4.121779
  C      -1.866938      0.704424      3.503555
  C      -2.718905      0.253021      2.555848
  C      -3.768268      1.010785      1.886599
  N      -3.720134      2.348595      1.919048
  C      -4.712805      3.029633      1.303565
  N      -5.725511      2.543126      0.610412
  C      -5.799274      1.179228      0.546431
  C      -6.866026      0.588945     -0.174492
  C      -6.987102     -0.783165     -0.238210
  C      -6.057256     -1.613793      0.426350
  C      -5.007471     -1.064120      1.134652
  C      -4.840151      0.340899      1.198377
  C      -4.088095      0.923907      8.956663
  C      -5.387232      1.662756      8.961499
  C      -6.608140      1.218358      8.597850
  C      -6.949984     -0.126675      8.147210
  N      -6.166336     -1.145635      8.519086
  C      -6.515569     -2.385703      8.102992
  N      -7.579410     -2.740460      7.406372
  C      -8.404647     -1.722045      7.018404
  C      -9.562659     -2.029393      6.262536
  C     -10.393825     -1.019132      5.827330
  C     -10.095071      0.331205      6.119147
  C      -8.978395      0.657013      6.860917
  C      -8.119010     -0.358971      7.345200
  H      -3.461332      5.997599      5.693780
  H      -3.723402      6.221410      7.450076
  H      -4.696000      4.069608      7.730670
  H      -6.063437      4.540034      5.298268
  H      -3.361934     -0.069657      6.184841
  H      -7.028010     -1.495132      3.841255
  H      -8.942155     -0.389645      2.673792
  H      -9.154574      2.098498      2.729498
  H      -7.508735      3.453289      3.982752
  H      -1.048180      2.683494      3.589504
  H      -2.753470      2.593402      3.966221
  H      -1.166554     -0.026509      3.921866
  H      -2.649314     -0.803564      2.295369
  H      -4.651014      4.120259      1.384390
  H      -7.580918      1.254281     -0.660577
  H      -7.812929     -1.233625     -0.791914
  H      -6.175929     -2.697754      0.386304
  H      -4.319023     -1.720146      1.666157
  H      -3.930435      0.501970      9.968215
  H      -4.152383      0.044998      8.297789
  H      -5.309796      2.706650      9.280938
  H      -7.425200      1.941066      8.618288
  H      -5.834446     -3.189314      8.402525
  H      -9.759224     -3.077695      6.033427
  H     -11.280916     -1.258258      5.237948
  H     -10.743708      1.121705      5.739421
  H      -8.746317      1.704446      7.050856
89
Coordinates from ORCA-job orca E -6144.749257865888
  N      -2.235160      4.773067      6.929492
  Mo     -2.656495      2.811357      6.930115
  N      -2.952456      1.793304      8.622166
  C      -1.846666      1.658503      9.568179
  C      -0.852082      2.787150      9.365584
  N      -0.619403      2.995471      7.917407
  C      -0.017982      4.331416      7.643601
  C      -1.120981      5.375206      7.617212
  C       0.186409      1.903806      7.308553
  C      -0.047299      1.891279      5.808398
  N      -1.469796      2.022105      5.546336
  H      -0.761160      6.282221      7.095144
  H      -1.400775      5.696079      8.643088
  H       0.453572      4.282333      6.654234
  H       0.763388      4.552243      8.389800
  H       0.359246      0.947932      5.396359
  H       0.517015      2.707677      5.308411
  H      -0.161778      0.956335      7.741481
  H       1.254828      2.025809      7.557983
  H      -2.216459      1.705011     10.608722
  H      -1.350080      0.671561      9.466769
  H      -1.277345      3.722669      9.756021
  H       0.099484      2.591527      9.891889
  C      -3.469395      5.474470      6.673936
  C      -4.328519      4.220125      6.695182
  C      -5.321933      3.837406      5.682855
  C      -5.333590      2.508576      5.378961
  N      -4.251177      1.779567      5.920897
  C      -4.220829      0.436951      5.735692
  N      -5.098717     -0.314890      5.112491
  C      -6.165920      0.348654      4.524299
  C      -7.123658     -0.407157      3.820825
  C      -8.182698      0.213800      3.175123
  C      -8.314381      1.609594      3.223506
  C      -7.393209      2.369189      3.935756
  C      -6.313390      1.760399      4.598005
  C      -1.807629      2.065541      4.124123
  C      -1.872455      0.702521      3.508062
  C      -2.724128      0.250439      2.560598
  C      -3.771942      1.009041      1.889262
  N      -3.719038      2.346774      1.917461
  C      -4.710508      3.028915      1.300787
  N      -5.726307      2.543441      0.611519
  C      -5.804486      1.179553      0.551823
  C      -6.874772      0.590290     -0.164730
  C      -7.000701     -0.781617     -0.223028
  C      -6.072073     -1.613027      0.442497
  C      -5.018557     -1.064315      1.146021
  C      -4.846638      0.340302      1.204349
  C      -4.089238      0.923741      8.960119
  C      -5.388199      1.662765      8.967443
  C      -6.610070      1.218401      8.606772
  C      -6.951908     -0.126905      8.156438
  N      -6.167061     -1.145411      8.527059
  C      -6.516112     -2.385669      8.111229
  N      -7.580252     -2.740904      7.415339
  C      -8.406767     -1.722944      7.028756
  C      -9.565490     -2.030815      6.274163
  C     -10.398621     -1.020956      5.841592
  C     -10.100848      0.329337      6.134557
  C      -8.983249      0.655563      6.874800
  C      -8.122020     -0.359955      7.356430
  H      -3.465654      5.999330      5.700263
  H      -3.729141      6.217886      7.456960
  H      -4.700981      4.065013      7.730485
  H      -6.063626      4.538851      5.295982
  H      -3.346052     -0.066243      6.160231
  H      -6.995297     -1.490045      3.791170
  H      -8.910206     -0.384631      2.624368
  H      -9.136935      2.101498      2.701814
  H      -7.504501      3.454225      3.975102
  H      -1.052574      2.681067      3.589654
  H      -2.756943      2.593033      3.969848
  H      -1.174047     -0.028929      3.928862
  H      -2.655857     -0.806832      2.302733
  H      -4.645211      4.119641      1.377503
  H      -7.588563      1.256306     -0.651509
  H      -7.829440     -1.231359     -0.772917
  H      -6.194841     -2.696715      0.406995
  H      -4.331072     -1.720497      1.678551
  H      -3.930311      0.501420      9.971334
  H      -4.154303      0.044965      8.301033
  H      -5.309836      2.706533      9.287253
  H      -7.427127      1.941049      8.629325
  H      -5.834509     -3.189110      8.410072
  H      -9.761215     -3.079110      6.044313
  H     -11.286522     -1.260362      5.253573
  H     -10.750812      1.119608      5.756673
  H      -8.752165      1.703057      7.065682
89
Coordinates from ORCA-job orca E -6144.748518239202
  N      -2.230473      4.785342      6.951318
  Mo     -2.659475      2.825100      6.932784
  N      -2.952766      1.789777      8.613309
  C      -1.845886      1.642288      9.556205
  C      -0.847444      2.769191      9.361803
  N      -0.618304      2.991776      7.914904
  C      -0.013201      4.329161      7.654781
  C      -1.113111      5.376062      7.644001
  C       0.182397      1.905525      7.290473
  C      -0.058285      1.910783      5.791186
  N      -1.482563      2.042417      5.536331
  H      -0.752553      6.289014      7.132960
  H      -1.390194      5.683843      8.674552
  H       0.455522      4.290657      6.663765
  H       0.770989      4.538065      8.401470
  H       0.347455      0.972429      5.367371
  H       0.502943      2.732797      5.297294
  H      -0.165444      0.953873      7.714245
  H       1.252135      2.023125      7.536839
  H      -2.213474      1.679355     10.597806
  H      -1.352200      0.654942      9.444378
  H      -1.268097      3.702250      9.762854
  H       0.105070      2.564939      9.883059
  C      -3.463978      5.494055      6.710526
  C      -4.327576      4.242598      6.729872
  C      -5.325387      3.864154      5.722070
  C      -5.315720      2.538596      5.408299
  N      -4.218538      1.828296      5.947067
  C      -4.166617      0.486755      5.760306
  N      -5.032115     -0.278873      5.135856
  C      -6.111358      0.367091      4.549379
  C      -7.058175     -0.403876      3.847267
  C      -8.130747      0.199796      3.207429
  C      -8.286356      1.592978      3.258821
  C      -7.375307      2.367058      3.968469
  C      -6.283303      1.775811      4.626274
  C      -1.826705      2.078352      4.115237
  C      -1.880158      0.712415      3.503383
  C      -2.741027      0.245635      2.571349
  C      -3.813402      0.986954      1.920375
  N      -3.783003      2.325360      1.948374
  C      -4.796568      2.990793      1.349752
  N      -5.813930      2.488305      0.675163
  C      -5.871485      1.123414      0.618238
  C      -6.943047      0.516513     -0.081235
  C      -7.048637     -0.857292     -0.134896
  C      -6.098149     -1.672938      0.518831
  C      -5.042885     -1.106765      1.205671
  C      -4.890618      0.300532      1.257257
  C      -4.088945      0.913793      8.936176
  C      -5.387348      1.653917      8.947460
  C      -6.607044      1.217817      8.570114
  C      -6.950598     -0.119812      8.099092
  N      -6.176522     -1.147301      8.466804
  C      -6.526949     -2.379888      8.030430
  N      -7.584775     -2.720506      7.317769
  C      -8.399468     -1.692786      6.931989
  C      -9.547745     -1.983736      6.155283
  C     -10.365148     -0.963041      5.718425
  C     -10.062428      0.381942      6.030258
  C      -8.955175      0.691952      6.792594
  C      -8.109648     -0.335353      7.278171
  H      -3.465747      6.026125      5.740640
  H      -3.714794      6.232406      7.501084
  H      -4.694083      4.081546      7.766537
  H      -6.077338      4.560287      5.345442
  H      -3.283697     -0.002368      6.184885
  H      -6.911257     -1.484604      3.814752
  H      -8.849502     -0.410306      2.658058
  H      -9.119040      2.071558      2.740772
  H      -7.504579      3.450066      4.009301
  H      -1.080674      2.700472      3.575631
  H      -2.782526      2.593963      3.963893
  H      -1.164644     -0.007596      3.914579
  H      -2.662079     -0.810914      2.313300
  H      -4.747754      4.082369      1.424985
  H      -7.674044      1.170321     -0.558887
  H      -7.878177     -1.320909     -0.671967
  H      -6.205108     -2.758351      0.487613
  H      -4.337174     -1.750936      1.728473
  H      -3.933150      0.474913      9.940691
  H      -4.152261      0.046215      8.262975
  H      -5.309208      2.693631      9.279907
  H      -7.421695      1.942951      8.594401
  H      -5.853674     -3.190628      8.328168
  H      -9.747208     -3.027995      5.910850
  H     -11.244355     -1.189576      5.112487
  H     -10.700423      1.180905      5.650139
  H      -8.718466      1.735532      6.997176
89
Coordinates from ORCA-job orca E -6144.749226729938
  N      -2.229893      4.785160      6.945415
  Mo     -2.655670      2.823584      6.928291
  N      -2.950992      1.788200      8.608727
  C      -1.845703      1.642809      9.553717
  C      -0.849657      2.772116      9.362451
  N      -0.617700      2.994911      7.916371
  C      -0.014128      4.332706      7.656282
  C      -1.115553      5.377920      7.641126
  C       0.187147      1.909168      7.296134
  C      -0.048593      1.911450      5.796553
  N      -1.472046      2.041328      5.536707
  H      -0.754277      6.290744      7.130299
  H      -1.396255      5.686774      8.670405
  H       0.457000      4.293157      6.666370
  H       0.767944      4.544312      8.404414
  H       0.359674      0.973014      5.375375
  H       0.513597      2.733420      5.303399
  H      -0.160438      0.957456      7.720089
  H       1.255878      2.028914      7.545622
  H      -2.215953      1.679244     10.594465
  H      -1.350368      0.656274      9.442593
  H      -1.273082      3.704233      9.762875
  H       0.102024      2.569488      9.885807
  C      -3.464384      5.491329      6.704158
  C      -4.326559      4.239072      6.720499
  C      -5.326755      3.868142      5.710928
  C      -5.339782      2.543006      5.393690
  N      -4.258212      1.807964      5.929722
  C      -4.232141      0.466529      5.735192
  N      -5.111843     -0.278470      5.106154
  C      -6.177363      0.391887      4.522312
  C      -7.136347     -0.356129      3.812248
  C      -8.194253      0.272283      3.171787
  C      -8.323644      1.667746      3.232476
  C      -7.400982      2.419493      3.951264
  C      -6.321832      1.803171      4.607482
  C      -1.809336      2.076144      4.114002
  C      -1.854474      0.709659      3.502911
  C      -2.701641      0.240602      2.559810
  C      -3.763812      0.981186      1.890863
  N      -3.727497      2.319552      1.909866
  C      -4.731794      2.984890      1.295103
  N      -5.745230      2.481705      0.615260
  C      -5.807524      1.116482      0.566990
  C      -6.875507      0.508627     -0.137242
  C      -6.986307     -0.865097     -0.181436
  C      -6.044664     -1.679726      0.486608
  C      -4.992851     -1.112745      1.177959
  C      -4.835981      0.294245      1.220788
  C      -4.085476      0.910629      8.933626
  C      -5.385810      1.646787      8.959133
  C      -6.608475      1.205201      8.598000
  C      -6.948849     -0.132878      8.126106
  N      -6.152457     -1.153366      8.464997
  C      -6.497869     -2.386757      8.026576
  N      -7.567900     -2.734693      7.336147
  C      -8.406501     -1.714759      6.982154
  C      -9.572608     -2.015007      6.235993
  C     -10.418601     -1.002411      5.836158
  C     -10.127156      0.343399      6.154868
  C      -9.002349      0.662082      6.887401
  C      -8.127232     -0.357057      7.335515
  H      -3.465967      6.024926      5.735222
  H      -3.717102      6.228177      7.495585
  H      -4.693421      4.076834      7.756682
  H      -6.070043      4.574076      5.335392
  H      -3.360142     -0.042242      6.158710
  H      -7.010133     -1.439020      3.773458
  H      -8.922906     -0.320273      2.616225
  H      -9.145787      2.165546      2.715710
  H      -7.510403      3.504353      4.000059
  H      -1.062457      2.700201      3.577972
  H      -2.765659      2.589523      3.957891
  H      -1.143767     -0.009436      3.924271
  H      -2.618177     -0.816387      2.304722
  H      -4.679779      4.076828      1.363674
  H      -7.599842      1.161960     -0.625587
  H      -7.813207     -1.329496     -0.721885
  H      -6.156230     -2.764881      0.462969
  H      -4.295129     -1.755683      1.713336
  H      -3.922582      0.468829      9.935810
  H      -4.151161      0.044717      8.257848
  H      -5.308410      2.685209      9.295865
  H      -7.427526      1.924708      8.638977
  H      -5.806696     -3.191289      8.299214
  H      -9.763565     -3.059552      5.985963
  H     -11.312212     -1.235742      5.254346
  H     -10.788168      1.136615      5.803191
  H      -8.776691      1.706900      7.098098
89
Coordinates from ORCA-job orca E -6144.747494415023
  N      -2.229525      4.762461      6.914796
  Mo     -2.653439      2.802338      6.936426
  N      -2.956124      1.806631      8.641399
  C      -1.853499      1.683711      9.592879
  C      -0.858273      2.809242      9.378291
  N      -0.619650      2.997499      7.928510
  C      -0.014326      4.329044      7.639529
  C      -1.116577      5.372876      7.598153
  C       0.185542      1.897223      7.334843
  C      -0.041121      1.871060      5.833072
  N      -1.461674      2.004165      5.564082
  H      -0.756901      6.274063      7.066243
  H      -1.399114      5.704423      8.619876
  H       0.459599      4.267972      6.651768
  H       0.764914      4.556696      8.385852
  H       0.363826      0.921855      5.432157
  H       0.527026      2.680272      5.326538
  H      -0.168201      0.954770      7.774488
  H       1.252837      2.018659      7.588696
  H      -2.226233      1.742066     10.631739
  H      -1.355329      0.696134      9.505148
  H      -1.286810      3.749851      9.752718
  H       0.091268      2.622983      9.911710
  C      -3.462270      5.462565      6.645912
  C      -4.322121      4.208141      6.676715
  C      -5.319652      3.821729      5.666467
  C      -5.333385      2.494746      5.353160
  N      -4.220253      1.769421      5.834067
  C      -4.186691      0.429465      5.630758
  N      -5.090808     -0.324475      5.049814
  C      -6.190923      0.335299      4.521906
  C      -7.181733     -0.422979      3.868776
  C      -8.273858      0.195513      3.278002
  C      -8.404206      1.591498      3.329737
  C      -7.449748      2.352993      3.994109
  C      -6.339065      1.746336      4.605273
  C      -1.794477      2.048537      4.139914
  C      -1.876381      0.686302      3.527351
  C      -2.736755      0.242655      2.584604
  C      -3.776870      1.011418      1.912351
  N      -3.705622      2.348624      1.928200
  C      -4.685237      3.037784      1.301684
  N      -5.703849      2.560115      0.610596
  C      -5.801793      1.197523      0.563635
  C      -6.875673      0.615942     -0.153924
  C      -7.022105     -0.754804     -0.196361
  C      -6.110572     -1.592017      0.485282
  C      -5.052117     -1.050230      1.188070
  C      -4.858708      0.352140      1.229527
  C      -4.092095      0.938271      8.985983
  C      -5.393417      1.672741      8.975136
  C      -6.607598      1.222557      8.595869
  C      -6.936060     -0.123228      8.134915
  N      -6.157394     -1.141005      8.521016
  C      -6.491987     -2.380699      8.092307
  N      -7.539550     -2.737568      7.371926
  C      -8.361466     -1.720955      6.971680
  C      -9.502954     -2.029325      6.191990
  C     -10.329412     -1.020250      5.744823
  C     -10.041449      0.330199      6.047000
  C      -8.940844      0.657116      6.812065
  C      -8.088074     -0.357932      7.310011
  H      -3.453832      5.973891      5.665305
  H      -3.725083      6.216492      7.417486
  H      -4.698439      4.064786      7.712395
  H      -6.075304      4.519290      5.300261
  H      -3.285143     -0.069512      6.000281
  H      -7.054537     -1.505484      3.832969
  H      -9.027350     -0.404797      2.765658
  H      -9.252417      2.081484      2.849087
  H      -7.561470      3.437742      4.040031
  H      -1.028115      2.651500      3.607403
  H      -2.735660      2.590270      3.982001
  H      -1.184690     -0.051369      3.948423
  H      -2.684388     -0.816398      2.331238
  H      -4.607755      4.128222      1.371064
  H      -7.577018      1.285942     -0.653108
  H      -7.854822     -1.198019     -0.745376
  H      -6.249437     -2.674400      0.464222
  H      -4.377900     -1.709253      1.734131
  H      -3.937132      0.527713     10.002700
  H      -4.151646      0.051526      8.337393
  H      -5.323437      2.718405      9.291420
  H      -7.427137      1.942400      8.601335
  H      -5.811557     -3.182346      8.399042
  H      -9.690439     -3.077353      5.954060
  H     -11.203576     -1.260541      5.137000
  H     -10.685471      1.119916      5.658004
  H      -8.713492      1.704233      7.009587
89
Coordinates from ORCA-job orca E -6144.749207193954
  N      -2.239833      4.771664      6.934338
  Mo     -2.658458      2.809411      6.925683
  N      -2.950704      1.784721      8.613766
  C      -1.844477      1.647387      9.558944
  C      -0.852975      2.779254      9.360910
  N      -0.621352      2.993734      7.913663
  C      -0.021617      4.332078      7.645734
  C      -1.126944      5.373026      7.625489
  C       0.186570      1.907104      7.299681
  C      -0.046715      1.903739      5.799581
  N      -1.469780      2.030459      5.537259
  H      -0.770715      6.284560      7.109017
  H      -1.408062      5.685865      8.653433
  H       0.449256      4.289127      6.655802
  H       0.759666      4.549606      8.392953
  H       0.363498      0.964171      5.382429
  H       0.514397      2.724568      5.303744
  H      -0.160231      0.956246      7.726273
  H       1.254443      2.030165      7.550945
  H      -2.213967      1.687287     10.599787
  H      -1.345131      0.662276      9.452501
  H      -1.281662      3.711960      9.754329
  H       0.099314      2.585197      9.886466
  C      -3.476212      5.472639      6.686170
  C      -4.333707      4.216704      6.707806
  C      -5.332508      3.836707      5.699534
  C      -5.337224      2.510491      5.387151
  N      -4.242965      1.787942      5.914204
  C      -4.203873      0.447045      5.719632
  N      -5.084065     -0.309102      5.104759
  C      -6.164462      0.348073      4.533702
  C      -7.125263     -0.411790      3.838833
  C      -8.194239      0.204678      3.205124
  C      -8.331957      1.599822      3.255691
  C      -7.407186      2.363049      3.959198
  C      -6.318762      1.758803      4.611161
  C      -1.802190      2.075408      4.113235
  C      -1.848730      0.714017      3.492311
  C      -2.696122      0.254046      2.545276
  C      -3.758255      1.001060      1.883874
  N      -3.727432      2.338981      1.924502
  C      -4.730517      3.009742      1.314993
  N      -5.735882      2.514143      0.617540
  C      -5.792724      1.149974      0.546357
  C      -6.851665      0.549437     -0.177494
  C      -6.957973     -0.823955     -0.242518
  C      -6.020800     -1.645517      0.423147
  C      -4.976806     -1.085347      1.132298
  C      -4.823778      0.321286      1.195891
  C      -4.086607      0.912958      8.949095
  C      -5.383293      1.655508      8.973796
  C      -6.608671      1.219200      8.615325
  C      -6.958602     -0.118580      8.148610
  N      -6.173489     -1.144788      8.496719
  C      -6.528231     -2.377084      8.063090
  N      -7.599639     -2.719134      7.371533
  C      -8.428289     -1.693478      7.010465
  C      -9.597404     -1.987098      6.266696
  C     -10.435191     -0.969229      5.863045
  C     -10.132013      0.375687      6.174610
  C      -9.003801      0.688210      6.904546
  C      -8.137606     -0.336547      7.357681
  H      -3.477342      5.999215      5.713454
  H      -3.733590      6.214009      7.471702
  H      -4.702563      4.059075      7.743969
  H      -6.084046      4.535334      5.326706
  H      -3.317167     -0.049955      6.125409
  H      -6.992239     -1.494005      3.805598
  H      -8.924135     -0.396918      2.661124
  H      -9.161757      2.088175      2.742221
  H      -7.522677      3.447608      4.000204
  H      -1.050025      2.699728      3.584907
  H      -2.755654      2.594219      3.956805
  H      -1.137091     -0.007965      3.907042
  H      -2.613060     -0.800282      2.279865
  H      -4.686003      4.100034      1.406304
  H      -7.573712      1.207199     -0.663245
  H      -7.778673     -1.282481     -0.797175
  H      -6.128946     -2.730669      0.384004
  H      -4.282149     -1.733437      1.665289
  H      -3.921489      0.476976      9.953459
  H      -4.158613      0.042945      8.279684
  H      -5.300046      2.695163      9.305694
  H      -7.422996      1.944087      8.652304
  H      -5.845638     -3.186655      8.342825
  H      -9.797577     -3.031151      6.021855
  H     -11.331263     -1.197897      5.283210
  H     -10.786786      1.172813      5.820152
  H      -8.767356      1.731765      7.109585
89
Coordinates from ORCA-job orca E -6144.747441560841
  N      -2.209340      4.796447      6.942356
  Mo     -2.652684      2.837822      6.942315
  N      -2.955500      1.815956      8.630245
  C      -1.849658      1.669717      9.574353
  C      -0.841868      2.787172      9.371997
  N      -0.611077      2.995443      7.923097
  C       0.003913      4.323907      7.648396
  C      -1.085406      5.382481      7.626450
  C       0.181874      1.893993      7.312763
  C      -0.058953      1.876498      5.814530
  N      -1.481474      2.023249      5.557861
  H      -0.712758      6.283923      7.103368
  H      -1.356631      5.709005      8.652893
  H       0.471001      4.267960      6.657402
  H       0.791410      4.537005      8.390432
  H       0.334814      0.927130      5.405055
  H       0.514498      2.684250      5.309578
  H      -0.172766      0.951665      7.751388
  H       1.252998      2.005716      7.555861
  H      -2.217866      1.720661     10.615411
  H      -1.366217      0.676782      9.470825
  H      -1.251883      3.727338      9.767580
  H       0.108558      2.575701      9.893989
  C      -3.436082      5.511964      6.696108
  C      -4.310176      4.269670      6.712715
  C      -5.307780      3.907526      5.699700
  C      -5.350448      2.578978      5.396198
  N      -4.310139      1.816237      5.971433
  C      -4.309097      0.474678      5.775513
  N      -5.181479     -0.247313      5.110482
  C      -6.210209      0.450045      4.493207
  C      -7.157753     -0.272729      3.743171
  C      -8.179698      0.381707      3.071198
  C      -8.286838      1.778309      3.143933
  C      -7.376577      2.506122      3.902760
  C      -6.329698      1.863394      4.585784
  C      -1.830221      2.042018      4.139056
  C      -1.912525      0.665410      3.552385
  C      -2.775036      0.199740      2.620769
  C      -3.821757      0.956900      1.945844
  N      -3.742216      2.293353      1.939959
  C      -4.742301      2.980929      1.341496
  N      -5.795757      2.499139      0.709364
  C      -5.900262      1.134832      0.685922
  C      -7.014482      0.550125      0.035552
  C      -7.167765     -0.819733      0.014726
  C      -6.222233     -1.654023      0.653047
  C      -5.127701     -1.110938      1.293753
  C      -4.931155      0.291452      1.316304
  C      -4.092590      0.943428      8.958371
  C      -5.399400      1.666788      8.925730
  C      -6.604490      1.202084      8.535980
  C      -6.907826     -0.155147      8.095882
  N      -6.123711     -1.153524      8.519293
  C      -6.433814     -2.407045      8.111336
  N      -7.454263     -2.790575      7.367801
  C      -8.276232     -1.793536      6.922251
  C      -9.388601     -2.135500      6.113632
  C     -10.215542     -1.148411      5.621051
  C      -9.955744      0.211295      5.905831
  C      -8.884469      0.569922      6.697880
  C      -8.032593     -0.421040      7.241639
  H      -3.430113      6.046352      5.727508
  H      -3.683641      6.251191      7.487454
  H      -4.680999      4.111779      7.747615
  H      -6.022661      4.628431      5.298415
  H      -3.469006     -0.056314      6.234106
  H      -7.048916     -1.357343      3.699417
  H      -8.900010     -0.191331      2.484766
  H      -9.082166      2.296395      2.605501
  H      -7.468437      3.592185      3.959345
  H      -1.079494      2.643486      3.583008
  H      -2.778095      2.571258      3.984704
  H      -1.223751     -0.066449      3.988622
  H      -2.720299     -0.864497      2.387808
  H      -4.651259      4.071664      1.387176
  H      -7.737910      1.220058     -0.431328
  H      -8.028896     -1.266515     -0.485799
  H      -6.365747     -2.735386      0.644538
  H      -4.427519     -1.769852      1.806622
  H      -3.952440      0.541270      9.980762
  H      -4.133981      0.052717      8.312456
  H      -5.341285      2.715428      9.233360
  H      -7.431842      1.913652      8.522575
  H      -5.758279     -3.194793      8.461334
  H      -9.553874     -3.190881      5.892455
  H     -11.067871     -1.412945      4.992449
  H     -10.597407      0.983503      5.479396
  H      -8.686627      1.625083      6.883808
89
Coordinates from ORCA-job orca E -6144.749256628579
  N      -2.233148      4.787659      6.954097
  Mo     -2.657572      2.826063      6.934078
  N      -2.948342      1.788915      8.614622
  C      -1.839295      1.641435      9.554944
  C      -0.843723      2.771102      9.362451
  N      -0.616312      2.996457      7.915929
  C      -0.014327      4.334742      7.655522
  C      -1.115917      5.379992      7.645239
  C       0.187595      1.911688      7.292629
  C      -0.053720      1.912918      5.794025
  N      -1.478015      2.043159      5.539308
  H      -0.756325      6.292711      7.132970
  H      -1.391978      5.689094      8.675729
  H       0.453659      4.296363      6.664005
  H       0.770212      4.546123      8.401159
  H       0.352397      0.973988      5.371828
  H       0.507237      2.734332      5.298440
  H      -0.156978      0.959661      7.718307
  H       1.257132      2.032749      7.537894
  H      -2.205535      1.676305     10.597199
  H      -1.344732      0.654957      9.440220
  H      -1.265298      3.702534      9.766376
  H       0.109689      2.566855      9.882058
  C      -3.468007      5.493766      6.715089
  C      -4.328708      4.240656      6.724929
  C      -5.326179      3.871225      5.712532
  C      -5.340788      2.545359      5.396467
  N      -4.256392      1.810337      5.927015
  C      -4.230353      0.469041      5.730998
  N      -5.112601     -0.275824      5.105369
  C      -6.180903      0.394450      4.526768
  C      -7.143000     -0.353427      3.820898
  C      -8.204695      0.274953      3.186734
  C      -8.335117      1.670215      3.250092
  C      -7.409638      2.421868      3.965351
  C      -6.326158      1.805633      4.614510
  C      -1.820422      2.074459      4.118098
  C      -1.870568      0.705539      3.513094
  C      -2.714577      0.236012      2.567368
  C      -3.766294      0.978985      1.884720
  N      -3.718649      2.317158      1.890172
  C      -4.713300      2.984638      1.262034
  N      -5.726799      2.483107      0.581035
  C      -5.799679      1.117969      0.545688
  C      -6.867626      0.511727     -0.160073
  C      -6.989121     -0.861444     -0.191860
  C      -6.058599     -1.677010      0.490681
  C      -5.006878     -1.111662      1.183490
  C      -4.839173      0.294282      1.213727
  C      -4.082173      0.911476      8.942223
  C      -5.383557      1.646117      8.960441
  C      -6.605273      1.203583      8.596876
  C      -6.945252     -0.136140      8.129040
  N      -6.157045     -1.157877      8.483057
  C      -6.504066     -2.392860      8.050200
  N      -7.568521     -2.740477      7.351138
  C      -8.399322     -1.719324      6.982593
  C      -9.560660     -2.020003      6.229079
  C     -10.400168     -1.006918      5.816993
  C     -10.106003      0.339731      6.129586
  C      -8.985484      0.658834      6.868523
  C      -8.117829     -0.360665      7.329973
  H      -3.469338      6.032389      5.748915
  H      -3.722105      6.226420      7.510076
  H      -4.697312      4.072795      7.759601
  H      -6.067796      4.577889      5.335148
  H      -3.355884     -0.039821      6.149278
  H      -7.016264     -1.436192      3.781020
  H      -8.936326     -0.317483      2.635012
  H      -9.161084      2.167858      2.739324
  H      -7.520893      3.506378      4.017639
  H      -1.074709      2.695284      3.576753
  H      -2.776463      2.588944      3.963443
  H      -1.168621     -0.016361      3.944184
  H      -2.636645     -0.823441      2.321134
  H      -4.651772      4.076742      1.319370
  H      -7.583292      1.166261     -0.659501
  H      -7.816049     -1.324561     -0.733324
  H      -6.178795     -2.761442      0.476579
  H      -4.318647     -1.754855      1.730876
  H      -3.921580      0.479096      9.948985
  H      -4.144089      0.039705      8.273368
  H      -5.307597      2.685370      9.295097
  H      -7.423996      1.923749      8.632484
  H      -5.820371     -3.198973      8.336823
  H      -9.753734     -3.065413      5.984380
  H     -11.290549     -1.240539      5.230388
  H     -10.761066      1.133209      5.767577
  H      -8.758355      1.704201      7.074965
89
Coordinates from ORCA-job orca E -6144.749271006741
  N      -2.236140      4.774432      6.938191
  Mo     -2.659049      2.813425      6.931218
  N      -2.952108      1.791827      8.621639
  C      -1.843894      1.652274      9.564141
  C      -0.848806      2.780551      9.362676
  N      -0.619267      2.993113      7.914662
  C      -0.017256      4.329733      7.644215
  C      -1.119904      5.373855      7.625218
  C       0.185150      1.903721      7.300429
  C      -0.052409      1.896851      5.800862
  N      -1.475828      2.027083      5.542580
  H      -0.762003      6.283095      7.105790
  H      -1.396961      5.690020      8.653268
  H       0.451630      4.284432      6.653408
  H       0.766162      4.546579      8.389432
  H       0.353742      0.955078      5.384715
  H       0.509852      2.714951      5.301680
  H      -0.161585      0.954433      7.730528
  H       1.254031      2.025575      7.547965
  H      -2.210677      1.695023     10.605878
  H      -1.348116      0.665381      9.457920
  H      -1.272776      3.715161      9.756658
  H       0.103930      2.582934      9.886099
  C      -3.470116      5.478135      6.686682
  C      -4.329841      4.223943      6.703006
  C      -5.322540      3.844788      5.688671
  C      -5.334093      2.516262      5.384203
  N      -4.252316      1.788065      5.928739
  C      -4.221423      0.445518      5.743731
  N      -5.098786     -0.306864      5.120376
  C      -6.165471      0.355785      4.530343
  C      -7.123314     -0.400677      3.827681
  C      -8.181792      0.219878      3.180569
  C      -8.312286      1.615905      3.225852
  C      -7.390723      2.376143      3.936863
  C      -6.312484      1.767690      4.601808
  C      -1.814640      2.066758      4.120085
  C      -1.876955      0.702174      3.507372
  C      -2.726407      0.247440      2.559495
  C      -3.773086      1.005006      1.885573
  N      -3.719887      2.342786      1.911911
  C      -4.709352      3.023866      1.291071
  N      -5.722134      2.537469      0.597863
  C      -5.801624      1.173653      0.541431
  C      -6.869544      0.583312     -0.177721
  C      -6.997211     -0.788722     -0.231121
  C      -6.072957     -1.618939      0.441866
  C      -5.021358     -1.068968      1.147599
  C      -4.847172      0.335640      1.200403
  C      -4.089660      0.923690      8.960983
  C      -5.387698      1.664167      8.964603
  C      -6.609633      1.220349      8.604025
  C      -6.953950     -0.126694      8.160243
  N      -6.173316     -1.145160      8.539554
  C      -6.523578     -2.386510      8.128447
  N      -7.585886     -2.742910      7.430180
  C      -8.408620     -1.724969      7.035445
  C      -9.564717     -2.033658      6.277429
  C     -10.392971     -1.023885      5.835468
  C     -10.092716      0.327288      6.121885
  C      -8.977296      0.654581      6.864939
  C      -8.121152     -0.360860      7.356379
  H      -3.466822      6.007063      5.715169
  H      -3.728932      6.218283      7.472966
  H      -4.703813      4.064213      7.737145
  H      -6.063104      4.547294      5.301600
  H      -3.347016     -0.057339      6.169358
  H      -6.996341     -1.483803      3.800223
  H      -8.909395     -0.379138      2.630620
  H      -9.134007      2.107380      2.702461
  H      -7.501039      3.461370      3.973991
  H      -1.061158      2.682700      3.584025
  H      -2.765095      2.592002      3.965394
  H      -1.178756     -0.027432      3.931516
  H      -2.657707     -0.810296      2.303652
  H      -4.644328      4.114657      1.366448
  H      -7.580380      1.248298     -0.670166
  H      -7.824234     -1.239299     -0.782899
  H      -6.197375     -2.702589      0.410794
  H      -4.337127     -1.723635      1.685989
  H      -3.932287      0.505312      9.974173
  H      -4.154677      0.042588      8.305367
  H      -5.308281      2.708744      9.281698
  H      -7.425463      1.944342      8.622623
  H      -5.844919     -3.189980      8.433885
  H      -9.762148     -3.082632      6.052185
  H     -11.278919     -1.264167      5.244869
  H     -10.739072      1.117214      5.737105
  H      -8.742817      1.702346      7.049980
89
Coordinates from ORCA-job orca E -6144.749274941977
  N      -2.241135      4.773881      6.941869
  Mo     -2.659651      2.812102      6.933831
  N      -2.949563      1.789541      8.624332
  C      -1.839080      1.649050      9.563953
  C      -0.846371      2.779629      9.363189
  N      -0.619224      2.995180      7.915221
  C      -0.020801      4.333653      7.645929
  C      -1.125910      5.375337      7.628703
  C       0.187325      1.908503      7.298731
  C      -0.052242      1.902148      5.799526
  N      -1.476412      2.028832      5.543618
  H      -0.770407      6.285773      7.109735
  H      -1.403008      5.690105      8.657158
  H       0.447324      4.290474      6.654699
  H       0.762733      4.551605      8.390690
  H       0.355667      0.961737      5.382073
  H       0.507274      2.722073      5.300151
  H      -0.156381      0.957927      7.728417
  H       1.256215      2.032899      7.544998
  H      -2.203693      1.688676     10.606570
  H      -1.342112      0.663157      9.454116
  H      -1.271632      3.712684      9.759475
  H       0.107458      2.582904      9.884906
  C      -3.476397      5.474990      6.689734
  C      -4.333408      4.219013      6.705203
  C      -5.324579      3.837761      5.690103
  C      -5.333765      2.509031      5.386098
  N      -4.251211      1.782848      5.931514
  C      -4.218610      0.440078      5.748734
  N      -5.094492     -0.314129      5.125524
  C      -6.161032      0.346676      4.533145
  C      -7.115995     -0.411662      3.828605
  C      -8.173692      0.206896      3.178343
  C      -8.306653      1.602706      3.222843
  C      -7.388117      2.364835      3.935824
  C      -6.310147      1.758477      4.603155
  C      -1.818529      2.067688      4.121912
  C      -1.878354      0.703005      3.509008
  C      -2.727650      0.245953      2.561931
  C      -3.777904      1.000290      1.889900
  N      -3.730059      2.338256      1.918321
  C      -4.723342      3.016338      1.300150
  N      -5.735658      2.526894      0.608465
  C      -5.809460      1.162782      0.549698
  C      -6.876505      0.569189     -0.168059
  C      -6.998082     -0.803271     -0.224247
  C      -6.068455     -1.630806      0.444586
  C      -5.017892     -1.077705      1.149253
  C      -4.850088      0.327560      1.205054
  C      -4.086322      0.920853      8.964801
  C      -5.384070      1.661774      8.976262
  C      -6.606549      1.221531      8.613434
  C      -6.950233     -0.119952      8.153012
  N      -6.165598     -1.141875      8.514393
  C      -6.515023     -2.378037      8.087065
  N      -7.579083     -2.726637      7.387516
  C      -8.405257     -1.704897      7.010097
  C      -9.563231     -2.004933      6.251379
  C     -10.395193     -0.990545      5.827207
  C     -10.097116      0.356881      6.132873
  C      -8.979937      0.675613      6.876991
  C      -8.119877     -0.345059      7.350256
  H      -3.473618      6.004389      5.718452
  H      -3.737280      6.214201      7.476221
  H      -4.707673      4.058159      7.738987
  H      -6.065973      4.538898      5.302157
  H      -3.344333     -0.061327      6.176365
  H      -6.987019     -1.494570      3.801726
  H      -8.898835     -0.393496      2.626611
  H      -9.127726      2.092608      2.696946
  H      -7.500014      3.449935      3.971809
  H      -1.068099      2.685928      3.584269
  H      -2.770707      2.590531      3.969572
  H      -1.177291     -0.024671      3.931846
  H      -2.655586     -0.811419      2.305377
  H      -4.662761      4.107314      1.377093
  H      -7.591414      1.232037     -0.657485
  H      -7.824295     -1.256371     -0.775204
  H      -6.188026     -2.714901      0.411260
  H      -4.329401     -1.730532      1.684513
  H      -3.925535      0.498400      9.975745
  H      -4.153852      0.042267      8.305867
  H      -5.303966      2.703242      9.303016
  H      -7.422819      1.944858      8.641806
  H      -5.833399     -3.184341      8.378077
  H      -9.759164     -3.050905      6.011325
  H     -11.282525     -1.224025      5.235941
  H     -10.746465      1.150973      5.761990
  H      -8.747235      1.721035      7.077013
89
Coordinates from ORCA-job orca E -6144.749279382762
  N      -2.236367      4.778151      6.945797
  Mo     -2.658711      2.817063      6.934211
  N      -2.950502      1.791778      8.622620
  C      -1.840296      1.647878      9.562105
  C      -0.845461      2.776970      9.363493
  N      -0.617902      2.994615      7.915868
  C      -0.017029      4.332450      7.649126
  C      -1.120184      5.376131      7.634035
  C       0.186834      1.907668      7.297421
  C      -0.053187      1.903894      5.798306
  N      -1.477348      2.032665      5.542851
  H      -0.762881      6.287013      7.117076
  H      -1.396836      5.689238      8.663117
  H       0.450947      4.290283      6.657784
  H       0.766994      4.547565      8.394205
  H       0.353459      0.963621      5.379370
  H       0.507330      2.723834      5.300024
  H      -0.158176      0.956981      7.725794
  H       1.255992      2.030037      7.543570
  H      -2.204914      1.686079     10.604766
  H      -1.344984      0.661369      9.450367
  H      -1.268806      3.710133      9.761562
  H       0.108013      2.577311      9.884748
  C      -3.470274      5.482120      6.695326
  C      -4.329757      4.227931      6.708556
  C      -5.321348      3.850705      5.692561
  C      -5.333403      2.522542      5.386303
  N      -4.252367      1.792783      5.930202
  C      -4.224567      0.449855      5.747374
  N      -5.102985     -0.301150      5.123790
  C      -6.167145      0.363526      4.531413
  C      -7.124641     -0.391265      3.826519
  C      -8.180669      0.231081      3.177135
  C      -8.309461      1.627212      3.223037
  C      -7.388521      2.385902      3.936609
  C      -6.312005      1.775687      4.602739
  C      -1.820033      2.069194      4.121286
  C      -1.879380      0.703304      3.510830
  C      -2.727842      0.243966      2.563980
  C      -3.777193      0.996676      1.888536
  N      -3.727172      2.334707      1.909911
  C      -4.719574      3.011237      1.288469
  N      -5.733005      2.519837      0.599896
  C      -5.808867      1.155523      0.548171
  C      -6.877113      0.559966     -0.166145
  C      -7.000782     -0.812552     -0.215402
  C      -6.072018     -1.638138      0.457060
  C      -5.020290     -1.083153      1.158418
  C      -4.850459      0.322130      1.207253
  C      -4.086735      0.920810      8.959263
  C      -5.386104      1.658963      8.968144
  C      -6.607406      1.215814      8.604440
  C      -6.948725     -0.127632      8.147788
  N      -6.165244     -1.147914      8.516302
  C      -6.514434     -2.386339      8.095352
  N      -7.578070     -2.738621      7.397114
  C      -8.403400     -1.718781      7.012889
  C      -9.561351     -2.023002      6.255788
  C     -10.392611     -1.010882      5.824958
  C     -10.093943      0.338248      6.122341
  C      -8.977053      0.661054      6.865138
  C      -8.117684     -0.357042      7.345132
  H      -3.466671      6.013591      5.725178
  H      -3.729495      6.220191      7.483469
  H      -4.704575      4.066008      7.741990
  H      -6.061324      4.554087      5.305947
  H      -3.352124     -0.054739      6.175043
  H      -6.998939     -1.474553      3.798769
  H      -8.907920     -0.366636      2.625289
  H      -9.129473      2.120047      2.698219
  H      -7.497458      3.471255      3.974071
  H      -1.070357      2.687098      3.582207
  H      -2.772618      2.591033      3.968570
  H      -1.179478     -0.023813      3.936488
  H      -2.656258     -0.814288      2.310979
  H      -4.657001      4.102507      1.359372
  H      -7.591228      1.221503     -0.658501
  H      -7.827914     -1.267208     -0.763692
  H      -6.193213     -2.722200      0.428999
  H      -4.332425     -1.734418      1.696409
  H      -3.927637      0.497637      9.970163
  H      -4.150884      0.042739      8.299320
  H      -5.308488      2.701010      9.293629
  H      -7.424899      1.937845      8.630299
  H      -5.833676     -3.191244      8.392167
  H      -9.757721     -3.070347      6.022191
  H     -11.279739     -1.247555      5.234662
  H     -10.742687      1.130324      5.746143
  H      -8.744350      1.707599      7.059196
89
Coordinates from ORCA-job orca E -6144.749280797754
  N      -2.240377      4.775605      6.945248
  Mo     -2.659517      2.814049      6.934706
  N      -2.949203      1.790187      8.624516
  C      -1.837719      1.647319      9.562638
  C      -0.844361      2.777504      9.362768
  N      -0.618301      2.995041      7.914862
  C      -0.019777      4.333756      7.647124
  C      -1.124611      5.375780      7.632246
  C       0.187642      1.909002      7.296316
  C      -0.053358      1.904219      5.797379
  N      -1.477824      2.031110      5.542949
  H      -0.769125      6.286856      7.114384
  H      -1.400913      5.689141      8.661344
  H       0.447577      4.291870      6.655468
  H       0.764408      4.550458      8.391570
  H       0.354167      0.964323      5.378436
  H       0.505786      2.724729      5.298478
  H      -0.155724      0.958005      7.725329
  H       1.256773      2.033030      7.541714
  H      -2.201077      1.685273     10.605749
  H      -1.341557      0.661293      9.450378
  H      -1.268542      3.710259      9.760906
  H       0.109799      2.579193      9.883279
  C      -3.475158      5.477482      6.693207
  C      -4.332685      4.221909      6.706703
  C      -5.322831      3.841923      5.690291
  C      -5.333320      2.513098      5.386552
  N      -4.252542      1.785425      5.933599
  C      -4.222086      0.442426      5.751977
  N      -5.098321     -0.310636      5.127802
  C      -6.162681      0.351729      4.533254
  C      -7.117946     -0.405384      3.827817
  C      -8.174001      0.214547      3.176192
  C      -8.304844      1.610560      3.219999
  C      -7.386020      2.371579      3.933817
  C      -6.309763      1.763800      4.602595
  C      -1.821493      2.068596      4.121702
  C      -1.882606      0.703186      3.510545
  C      -2.731049      0.245979      2.562682
  C      -3.778145      1.001234      1.886671
  N      -3.726114      2.339145      1.910341
  C      -4.716752      3.018195      1.288873
  N      -5.730259      2.529494      0.598488
  C      -5.808049      1.165381      0.544320
  C      -6.876544      0.572634     -0.171961
  C      -7.002170     -0.799612     -0.223795
  C      -6.075181     -1.627734      0.447995
  C      -5.023318     -1.075505      1.151316
  C      -4.851531      0.329418      1.202876
  C      -4.086004      0.921252      8.964330
  C      -5.384313      1.661287      8.971872
  C      -6.606377      1.219529      8.609018
  C      -6.950328     -0.124334      8.155530
  N      -6.170513     -1.145753      8.528648
  C      -6.522176     -2.384343      8.110243
  N      -7.585075     -2.735530      7.410319
  C      -8.406351     -1.714394      7.020906
  C      -9.562952     -2.017280      6.261192
  C     -10.389751     -1.003870      5.824826
  C     -10.087771      0.345217      6.119036
  C      -8.972182      0.666751      6.864343
  C      -8.117571     -0.352594      7.350120
  H      -3.471591      6.008265      5.722676
  H      -3.736188      6.215722      7.480606
  H      -4.708186      4.060118      7.739865
  H      -6.062896      4.543934      5.301360
  H      -3.349424     -0.060370      6.181310
  H      -6.990520     -1.488506      3.801547
  H      -8.899528     -0.384926      2.623989
  H      -9.124682      2.101504      2.693146
  H      -7.496458      3.456837      3.969485
  H      -1.071718      2.686204      3.582420
  H      -2.773699      2.591445      3.969914
  H      -1.184358     -0.025368      3.936480
  H      -2.661124     -0.812235      2.309102
  H      -4.652460      4.109257      1.361377
  H      -7.589259      1.236078     -0.663782
  H      -7.829505     -1.252075     -0.773586
  H      -6.197844     -2.711578      0.417811
  H      -4.336850     -1.728768      1.688695
  H      -3.926785      0.500905      9.976397
  H      -4.151566      0.041320      8.306949
  H      -5.304909      2.703966      9.294978
  H      -7.422437      1.943251      8.632681
  H      -5.844410     -3.190356      8.410889
  H      -9.761848     -3.064695      6.030053
  H     -11.275792     -1.239557      5.232508
  H     -10.732799      1.138182      5.738347
  H      -8.736757      1.713129      7.056023
89
Coordinates from ORCA-job orca E -6144.749281390707
  N      -2.240369      4.775115      6.945466
  Mo     -2.660270      2.813757      6.935651
  N      -2.949823      1.791105      8.626320
  C      -1.837709      1.647751      9.563627
  C      -0.843993      2.777452      9.362970
  N      -0.618554      2.994511      7.914914
  C      -0.019685      4.332990      7.646588
  C      -1.124273      5.375236      7.632006
  C       0.186810      1.908172      7.296203
  C      -0.054811      1.903321      5.797356
  N      -1.479363      2.030350      5.543564
  H      -0.768903      6.286200      7.113890
  H      -1.400156      5.688665      8.661194
  H       0.447206      4.290787      6.654723
  H       0.764866      4.549534      8.390691
  H       0.352403      0.963311      5.378335
  H       0.504173      2.723684      5.298081
  H      -0.156656      0.957282      7.725391
  H       1.256060      2.031959      7.541185
  H      -2.200267      1.685814     10.607008
  H      -1.341962      0.661553      9.451000
  H      -1.267647      3.710482      9.761029
  H       0.110359      2.578947      9.883049
  C      -3.474773      5.477401      6.692688
  C      -4.332755      4.222150      6.706514
  C      -5.322583      3.842156      5.689702
  C      -5.333501      2.513249      5.386554
  N      -4.253510      1.785427      5.934845
  C      -4.223510      0.442349      5.754066
  N      -5.099722     -0.310705      5.129835
  C      -6.163176      0.351823      4.533875
  C      -7.118201     -0.405223      3.828040
  C      -8.173067      0.214891      3.174667
  C      -8.302896      1.611045      3.216992
  C      -7.384332      2.372031      3.931164
  C      -6.309431      1.764035      4.601912
  C      -1.823736      2.067223      4.122431
  C      -1.885423      0.701612      3.511785
  C      -2.733532      0.244786      2.563502
  C      -3.779842      1.000700      1.887079
  N      -3.727304      2.338570      1.911610
  C      -4.717363      3.018286      1.289990
  N      -5.730832      2.530338      0.598976
  C      -5.809098      1.166295      0.543877
  C      -6.877429      0.574352     -0.173321
  C      -7.003205     -0.797841     -0.226478
  C      -6.076546     -1.626694      0.444835
  C      -5.024955     -1.075236      1.149206
  C      -4.853034      0.329636      1.202201
  C      -4.086777      0.922914      8.967508
  C      -5.385009      1.663000      8.973977
  C      -6.606685      1.220664      8.610739
  C      -6.949641     -0.123514      8.157469
  N      -6.168822     -1.144175      8.530582
  C      -6.518993     -2.383015      8.111705
  N      -7.581174     -2.735147      7.411122
  C      -8.403240     -1.714756      7.021400
  C      -9.558880     -2.018531      6.260607
  C     -10.386151     -1.005772      5.823623
  C     -10.085639      0.343561      6.118226
  C      -8.970991      0.665976      6.864561
  C      -8.116001     -0.352720      7.351064
  H      -3.470686      6.007528      5.721804
  H      -3.735781      6.216239      7.479511
  H      -4.708848      4.061007      7.739582
  H      -6.062027      4.544375      5.299964
  H      -3.351459     -0.060601      6.184420
  H      -6.991559     -1.488452      3.802732
  H      -8.898319     -0.384546      2.622068
  H      -9.121641      2.102128      2.688571
  H      -7.493868      3.457420      3.965572
  H      -1.074099      2.684485      3.582612
  H      -2.775893      2.590344      3.970929
  H      -1.187739     -0.027158      3.938261
  H      -2.664039     -0.813432      2.309823
  H      -4.652702      4.109292      1.363010
  H      -7.589842      1.238312     -0.664885
  H      -7.830391     -1.249663     -0.777019
  H      -6.199224     -2.710512      0.413565
  H      -4.338700     -1.729111      1.686092
  H      -3.927534      0.504007      9.980179
  H      -4.152544      0.042036      8.311432
  H      -5.305956      2.705847      9.296670
  H      -7.423145      1.943954      8.633737
  H      -5.840422     -3.188379      8.412311
  H      -9.756633     -3.066077      6.029072
  H     -11.271420     -1.242179      5.230434
  H     -10.731009      1.136004      5.737028
  H      -8.736395      1.712510      7.056427
89
Coordinates from ORCA-job orca E -6144.749282403668
  N      -2.242010      4.775212      6.948478
  Mo     -2.661080      2.813801      6.937202
  N      -2.949270      1.790866      8.628042
  C      -1.835533      1.645782      9.563175
  C      -0.842187      2.775851      9.362789
  N      -0.618458      2.994704      7.914726
  C      -0.020607      4.333879      7.647371
  C      -1.125902      5.375389      7.634954
  C       0.187057      1.909600      7.294023
  C      -0.056247      1.906022      5.795468
  N      -1.481230      2.031907      5.543426
  H      -0.771662      6.287260      7.117683
  H      -1.401254      5.687238      8.664758
  H       0.445377      4.293105      6.655024
  H       0.764482      4.549967      8.391034
  H       0.351339      0.966800      5.375041
  H       0.501420      2.727358      5.296327
  H      -0.155212      0.957992      7.722591
  H       1.256467      2.033987      7.538007
  H      -2.196276      1.681908     10.607241
  H      -1.339865      0.659842      9.447911
  H      -1.265537      3.708314      9.762494
  H       0.112828      2.576848      9.881441
  C      -3.476479      5.477205      6.695244
  C      -4.333992      4.221620      6.707999
  C      -5.322739      3.841576      5.690051
  C      -5.333472      2.512604      5.387163
  N      -4.254108      1.784858      5.936761
  C      -4.224539      0.441624      5.757362
  N      -5.100493     -0.311630      5.132959
  C      -6.162760      0.350889      4.534902
  C      -7.117019     -0.406274      3.828149
  C      -8.170523      0.213814      3.172555
  C      -8.299719      1.610064      3.213476
  C      -7.381952      2.371217      3.928500
  C      -6.308485      1.763245      4.601536
  C      -1.827308      2.067292      4.122674
  C      -1.888965      0.701094      3.513344
  C      -2.736161      0.243716      2.564517
  C      -3.781165      0.999688      1.886176
  N      -3.727470      2.337544      1.909262
  C      -4.716470      3.017365      1.286052
  N      -5.730024      2.529485      0.595108
  C      -5.809385      1.165442      0.541435
  C      -6.877862      0.573594     -0.175612
  C      -7.004558     -0.798563     -0.227574
  C      -6.078724     -1.627443      0.444821
  C      -5.027118     -1.076069      1.149233
  C      -4.854301      0.328737      1.201102
  C      -4.086084      0.922895      8.970255
  C      -5.384263      1.663034      8.976806
  C      -6.605835      1.220884      8.613087
  C      -6.948646     -0.122946      8.158679
  N      -6.168400     -1.144017      8.531874
  C      -6.518772     -2.382546      8.112259
  N      -7.580734     -2.734028      7.411000
  C      -8.402127     -1.713181      7.021079
  C      -9.557346     -2.016111      6.259319
  C     -10.383649     -1.002769      5.821869
  C     -10.082629      0.346345      6.116945
  C      -8.968436      0.667956      6.864305
  C      -8.114461     -0.351374      7.351306
  H      -3.471968      6.007697      5.724547
  H      -3.738258      6.215641      7.482178
  H      -4.711219      4.060100      7.740585
  H      -6.061813      4.543770      5.299566
  H      -3.353152     -0.061383      6.189019
  H      -6.990846     -1.489588      3.803785
  H      -8.895107     -0.385724      2.619193
  H      -9.117260      2.101110      2.683156
  H      -7.490858      3.456709      3.961646
  H      -1.078797      2.684650      3.581443
  H      -2.779923      2.589818      3.971914
  H      -1.192279     -0.027576      3.941598
  H      -2.667098     -0.814823      2.312076
  H      -4.650864      4.108415      1.357608
  H      -7.589577      1.237578     -0.668151
  H      -7.831818     -1.250306     -0.778074
  H      -6.202049     -2.711209      0.414413
  H      -4.341517     -1.729953      1.686935
  H      -3.926395      0.504675      9.983140
  H      -4.152119      0.041563      8.314786
  H      -5.305283      2.705629      9.300306
  H      -7.422436      1.944022      8.636601
  H      -5.840580     -3.188256      8.412783
  H      -9.755525     -3.063478      6.027348
  H     -11.268536     -1.238560      5.227863
  H     -10.727182      1.139224      5.735280
  H      -8.733206      1.714283      7.056539
89
Coordinates from ORCA-job orca E -6144.749283917616
  N      -2.246658      4.775279      6.957040
  Mo     -2.663446      2.813725      6.941567
  N      -2.947506      1.789836      8.632841
  C      -1.829174      1.639956      9.561761
  C      -0.836754      2.770918      9.361912
  N      -0.618089      2.994808      7.913795
  C      -0.023048      4.335834      7.648948
  C      -1.130175      5.375439      7.642890
  C       0.187614      1.913083      7.287387
  C      -0.060680      1.913019      5.789723
  N      -1.486841      2.036135      5.542776
  H      -0.779081      6.289729      7.127810
  H      -1.403580      5.683046      8.674479
  H       0.440087      4.298934      6.655113
  H       0.763801      4.550659      8.391102
  H       0.347552      0.975868      5.365294
  H       0.493494      2.736891      5.290872
  H      -0.151252      0.959516      7.714350
  H       1.257522      2.039073      7.528316
  H      -2.184747      1.670928     10.607744
  H      -1.333958      0.654653      9.439246
  H      -1.258977      3.701843      9.766364
  H       0.120186      2.570338      9.876354
  C      -3.481347      5.476534      6.703041
  C      -4.337614      4.220049      6.712787
  C      -5.323697      3.840094      5.692029
  C      -5.334199      2.510940      5.389873
  N      -4.256975      1.783084      5.943437
  C      -4.228156      0.439607      5.766556
  N      -5.103045     -0.313879      5.140838
  C      -6.162199      0.348818      4.537554
  C      -7.114362     -0.408387      3.828034
  C      -8.164362      0.211846      3.166970
  C      -8.292052      1.608314      3.204926
  C      -7.376450      2.369641      3.922566
  C      -6.306734      1.761486      4.601323
  C      -1.837723      2.067791      4.123143
  C      -1.899528      0.700077      3.517279
  C      -2.743837      0.241358      2.566546
  C      -3.784872      0.997545      1.882401
  N      -3.728230      2.335351      1.902013
  C      -4.713944      3.015497      1.273888
  N      -5.727007      2.527874      0.582026
  C      -5.809024      1.163835      0.531638
  C      -6.876947      0.572274     -0.186467
  C      -7.005819     -0.799793     -0.235813
  C      -6.082793     -1.628801      0.440265
  C      -5.031966     -1.077688      1.146042
  C      -4.857091      0.326943      1.195559
  C      -4.084263      0.923142      8.978509
  C      -5.382049      1.663889      8.984511
  C      -6.603572      1.222291      8.620112
  C      -6.946701     -0.121309      8.165105
  N      -6.169485     -1.143437      8.541776
  C      -6.520919     -2.381708      8.122278
  N      -7.581522     -2.731908      7.418299
  C      -8.399580     -1.709889      7.024504
  C      -9.552997     -2.011190      6.259375
  C     -10.375461     -0.996522      5.817789
  C     -10.072341      0.352343      6.111864
  C      -8.959990      0.672405      6.862632
  C      -8.110188     -0.348302      7.354078
  H      -3.475893      6.008298      5.733016
  H      -3.745027      6.213665      7.490539
  H      -4.717715      4.057349      7.744067
  H      -6.061574      4.542398      5.299472
  H      -3.358750     -0.063735      6.201807
  H      -6.989377     -1.491881      3.805771
  H      -8.887246     -0.387760      2.611463
  H      -9.106591      2.099425      2.670062
  H      -7.483932      3.455349      3.953155
  H      -1.092213      2.685262      3.578044
  H      -2.791460      2.588966      3.974514
  H      -1.205827     -0.028477      3.950518
  H      -2.675749     -0.818006      2.317389
  H      -4.646015      4.106631      1.342032
  H      -7.586369      1.236372     -0.682160
  H      -7.832587     -1.251304     -0.787245
  H      -6.207674     -2.712438      0.411681
  H      -4.348604     -1.731622      1.686532
  H      -3.923622      0.507866      9.992480
  H      -4.151266      0.039929      8.325603
  H      -5.302741      2.706297      9.308531
  H      -7.420056      1.945619      8.643324
  H      -5.845223     -3.188435      8.425718
  H      -9.752844     -3.058390      6.028059
  H     -11.258846     -1.231134      5.221081
  H     -10.713636      1.146143      5.726660
  H      -8.722616      1.718387      7.054190
89
Coordinates from ORCA-job orca E -6144.749284658448
  N      -2.248688      4.775038      6.959932
  Mo     -2.664106      2.813375      6.942717
  N      -2.946722      1.789142      8.634135
  C      -1.826888      1.637852      9.561020
  C      -0.834984      2.769324      9.361473
  N      -0.617910      2.995007      7.913374
  C      -0.024207      4.336847      7.649492
  C      -1.132258      5.375498      7.645570
  C       0.188165      1.914645      7.285097
  C      -0.061683      1.915737      5.787705
  N      -1.488225      2.037821      5.542243
  H      -0.782501      6.290716      7.131244
  H      -1.405061      5.681576      8.677774
  H       0.438089      4.301450      6.655219
  H       0.763099      4.551438      8.391228
  H       0.346854      0.979316      5.361964
  H       0.491322      2.740509      5.289041
  H      -0.149270      0.960320      7.711513
  H       1.258201      2.041468      7.525047
  H      -2.180804      1.667041     10.607609
  H      -1.331605      0.652872      9.436158
  H      -1.257017      3.699632      9.767531
  H       0.122588      2.568358      9.874579
  C      -3.483526      5.475713      6.705157
  C      -4.339028      4.218652      6.713588
  C      -5.323786      3.838328      5.691598
  C      -5.333876      2.508998      5.390058
  N      -4.257219      1.781495      5.945209
  C      -4.228548      0.437841      5.769865
  N      -5.103008     -0.316137      5.144105
  C      -6.161166      0.346197      4.538718
  C      -7.112623     -0.411455      3.828727
  C      -8.161539      0.208401      3.165592
  C      -8.288779      1.604958      3.201758
  C      -7.373915      2.366776      3.919825
  C      -6.305410      1.758997      4.600800
  C      -1.840351      2.068293      4.122922
  C      -1.902698      0.700073      3.518259
  C      -2.746348      0.241217      2.567000
  C      -3.785605      0.997906      1.880793
  N      -3.727537      2.335677      1.899360
  C      -4.711617      3.016374      1.269286
  N      -5.724231      2.529291      0.576386
  C      -5.807764      1.165304      0.527167
  C      -6.875473      0.574319     -0.191727
  C      -7.005907     -0.797646     -0.239927
  C      -6.084747     -1.627100      0.438132
  C      -5.034199     -1.076551      1.144760
  C      -4.857703      0.327915      1.193143
  C      -4.083553      0.923023      8.981045
  C      -5.381097      1.664232      8.986523
  C      -6.602766      1.223045      8.622138
  C      -6.946662     -0.120618      8.167771
  N      -6.170820     -1.143203      8.546017
  C      -6.523237     -2.381477      8.127346
  N      -7.583705     -2.731202      7.422925
  C      -8.400374     -1.708685      7.027574
  C      -9.553601     -2.009448      6.261941
  C     -10.374586     -0.994296      5.818735
  C     -10.070105      0.354539      6.111550
  C      -8.957892      0.674105      6.862732
  C      -8.109684     -0.347094      7.355959
  H      -3.477493      6.007885      5.735335
  H      -3.748390      6.212354      7.492705
  H      -4.720568      4.055576      7.744251
  H      -6.061403      4.540368      5.298092
  H      -3.359675     -0.065288      6.206467
  H      -6.988005     -1.495031      3.807827
  H      -8.883873     -0.391579      2.609779
  H      -9.102355      2.095752      2.665143
  H      -7.480993      3.452565      3.948979
  H      -1.095433      2.685430      3.576667
  H      -2.794212      2.589361      3.974666
  H      -1.210248     -0.028685      3.953141
  H      -2.679139     -0.818489      2.319104
  H      -4.642394      4.107493      1.336375
  H      -7.583456      1.238770     -0.689001
  H      -7.832475     -1.248695     -0.792034
  H      -6.210847     -2.710614      0.410389
  H      -4.352352     -1.730776      1.686802
  H      -3.922803      0.509243      9.995622
  H      -4.150900      0.038912      8.329395
  H      -5.301425      2.706641      9.310424
  H      -7.418977      1.946707      8.645087
  H      -5.848626     -3.188631      8.432035
  H      -9.754486     -3.056643      6.031520
  H     -11.257824     -1.228523      5.221659
  H     -10.710211      1.148656      5.725033
  H      -8.719345      1.719999      7.053336
89
Coordinates from ORCA-job orca E -6144.749284920209
  N      -2.249321      4.775229      6.961851
  Mo     -2.664319      2.813523      6.943260
  N      -2.946267      1.788536      8.634347
  C      -1.825830      1.636378      9.560349
  C      -0.834028      2.768016      9.361212
  N      -0.617685      2.994906      7.913186
  C      -0.024447      4.337085      7.650009
  C      -1.132758      5.375465      7.647421
  C       0.188430      1.915264      7.283754
  C      -0.062167      1.917259      5.786504
  N      -1.488853      2.039265      5.541708
  H      -0.783492      6.291172      7.133636
  H      -1.405110      5.680662      8.680006
  H       0.437355      4.302502      6.655471
  H       0.763183      4.551325      8.391506
  H       0.346253      0.981147      5.359979
  H       0.490517      2.742388      5.288071
  H      -0.148353      0.960510      7.709731
  H       1.258547      2.042343      7.523202
  H      -2.179090      1.664682     10.607188
  H      -1.330654      0.651496      9.434335
  H      -1.255796      3.697987      9.768305
  H       0.123813      2.566560      9.873621
  C      -3.484190      5.475855      6.707237
  C      -4.339505      4.218641      6.714927
  C      -5.324132      3.838702      5.692653
  C      -5.334232      2.509463      5.390741
  N      -4.257765      1.781740      5.945980
  C      -4.229088      0.438150      5.770188
  N      -5.103424     -0.315604      5.144006
  C      -6.161459      0.346934      4.538630
  C      -7.112856     -0.410455      3.828299
  C      -8.161634      0.209646      3.165166
  C      -8.288824      1.606200      3.201701
  C      -7.374036      2.367761      3.920162
  C      -6.305670      1.759718      4.601116
  C      -1.841421      2.069122      4.122493
  C      -1.903449      0.700629      3.518413
  C      -2.746653      0.241120      2.567080
  C      -3.785770      0.997249      1.880050
  N      -3.727909      2.335040      1.897887
  C      -4.711702      3.015229      1.266796
  N      -5.723804      2.527593      0.573541
  C      -5.807156      1.163562      0.525147
  C      -6.874335      0.571969     -0.194045
  C      -7.004642     -0.800043     -0.241307
  C      -6.083880     -1.628946      0.437986
  C      -5.033787     -1.077805      1.144828
  C      -4.857416      0.326708      1.192250
  C      -4.083188      0.922683      8.981666
  C      -5.380634      1.664078      8.987147
  C      -6.602420      1.223141      8.622820
  C      -6.946667     -0.120468      8.168449
  N      -6.171348     -1.143320      8.547058
  C      -6.524007     -2.381488      8.128244
  N      -7.584191     -2.730836      7.423223
  C      -8.400453     -1.708059      7.027690
  C      -9.553544     -2.008501      6.261718
  C     -10.374336     -0.993144      5.818609
  C     -10.069712      0.355578      6.111808
  C      -8.957560      0.674825      6.863215
  C      -8.109586     -0.346587      7.356390
  H      -3.478057      6.008498      5.737671
  H      -3.749314      6.212079      7.495086
  H      -4.721436      4.055260      7.745367
  H      -6.061746      4.540858      5.299345
  H      -3.360382     -0.065157      6.206906
  H      -6.988349     -1.494029      3.807211
  H      -8.883966     -0.390148      2.609145
  H      -9.102330      2.097181      2.665156
  H      -7.481106      3.453541      3.949692
  H      -1.096833      2.686226      3.575771
  H      -2.795447      2.589913      3.974268
  H      -1.210977     -0.027787      3.953840
  H      -2.679087     -0.818699      2.319744
  H      -4.642745      4.106390      1.333489
  H      -7.582055      1.236008     -0.692237
  H      -7.830819     -1.251558     -0.793620
  H      -6.209964     -2.712483      0.411028
  H      -4.352305     -1.731536      1.687939
  H      -3.922410      0.509474      9.996488
  H      -4.150716      0.038278      8.330447
  H      -5.300741      2.706479      9.311034
  H      -7.418431      1.947027      8.645662
  H      -5.849857     -3.188889      8.433310
  H      -9.754517     -3.055620      6.031024
  H     -11.257524     -1.227108      5.221360
  H     -10.709680      1.149869      5.725421
  H      -8.718950      1.720654      7.054110
