96
Coordinates from ORCA-job orca E -6202.948773446677
  N      -2.928222      1.379318      5.201714
  Mo     -3.630396      3.296959      5.137319
  N      -4.492193      3.008829      6.877966
  C      -3.634476      3.083006      8.037236
  C      -2.247403      2.540945      7.672290
  N      -1.780055      3.164060      6.424840
  C      -0.797404      2.309984      5.742926
  C      -1.527011      1.160572      5.002006
  C      -1.233668      4.503718      6.679727
  C      -1.758416      5.439072      5.579817
  N      -3.172700      5.179307      5.434453
  H      -1.266311      1.177457      3.926396
  H      -1.219887      0.181470      5.399143
  H      -0.268892      2.923073      5.009744
  H      -0.068111      1.918551      6.462951
  H      -1.547402      6.479625      5.846937
  H      -1.243448      5.218286      4.633907
  H      -1.613042      4.867251      7.637801
  H      -0.139736      4.493431      6.716544
  H      -4.031331      2.488110      8.873212
  H      -3.556607      4.127698      8.384654
  H      -2.345955      1.468242      7.493683
  H      -1.531643      2.709507      8.485964
  C      -3.891287      1.054162      4.248425
  C      -4.836937     -0.105577      4.585924
  C      -6.243225      0.143237      4.011398
  C      -6.194205      0.539444      2.562611
  N      -6.106885      1.857180      2.325421
  C      -6.033686      2.247017      1.051610
  N      -6.051730      1.500363     -0.013726
  C      -6.143547      0.154704      0.183251
  C      -6.162621     -0.697081     -0.927703
  C      -6.237351     -2.060689     -0.749632
  C      -6.291281     -2.604171      0.536146
  C      -6.277347     -1.792440      1.644928
  C      -6.208987     -0.392132      1.500359
  C      -4.019552      6.276738      5.832615
  C      -3.948816      7.528888      4.934286
  C      -4.233926      7.228957      3.463962
  C      -5.646525      6.792298      3.193062
  N      -6.525486      6.840466      4.200428
  C      -7.736170      6.349381      3.976315
  N      -8.201950      5.814045      2.877078
  C      -7.370447      5.835281      1.798664
  C      -7.839058      5.366853      0.564178
  C      -7.021022      5.405627     -0.545653
  C      -5.718170      5.894240     -0.445582
  C      -5.227135      6.348172      0.758306
  C      -6.041546      6.338504      1.905754
  C      -5.858323      2.699293      7.184936
  C      -6.706407      3.930605      7.568748
  C      -8.204210      3.626828      7.588842
  C      -8.808837      3.366599      6.234852
  N      -8.025175      3.429362      5.172759
  C      -8.553600      3.165386      3.967932
  N      -9.776915      2.809653      3.716194
  C     -10.632285      2.764724      4.772026
  C     -11.979099      2.426569      4.550929
  C     -12.857811      2.384806      5.602646
  C     -12.425863      2.673651      6.904466
  C     -11.117751      2.998952      7.151994
  C     -10.187589      3.052121      6.094308
  H      -3.496317      0.935154      3.214831
  H      -4.559395      1.981369      4.301196
  H      -4.903881     -0.201561      5.672773
  H      -4.431879     -1.035560      4.180034
  H      -6.859580     -0.746993      4.140094
  H      -6.714152      0.965079      4.560965
  H      -5.951870      3.317164      0.893592
  H      -6.115635     -0.251291     -1.908184
  H      -6.253272     -2.714570     -1.607207
  H      -6.345677     -3.674706      0.659663
  H      -6.319579     -2.225565      2.631996
  H      -5.051322      5.922164      5.820638
  H      -3.772203      6.597108      6.859951
  H      -2.960781      7.985895      5.003373
  H      -4.686084      8.243650      5.300288
  H      -4.026411      8.124434      2.869749
  H      -3.550863      6.443053      3.116649
  H      -8.421830      6.392941      4.816702
  H      -8.848888      4.989618      0.512508
  H      -7.388352      5.050413     -1.495564
  H      -5.089060      5.914683     -1.321953
  H      -4.218359      6.726028      0.821906
  H      -5.922675      1.967199      8.008017
  H      -6.313613      2.251542      6.298648
  H      -6.403608      4.286085      8.554862
  H      -6.512049      4.727167      6.846977
  H      -8.393666      2.756195      8.223492
  H      -8.732139      4.475620      8.033255
  H      -7.878638      3.223101      3.135432
  H     -12.284991      2.214431      3.538632
  H     -13.891980      2.130547      5.430016
  H     -13.133911      2.638364      7.717598
  H     -10.793684      3.222276      8.156017
  N      -2.347890      3.433698      3.442214
96
Coordinates from ORCA-job orca E -6202.983380349983
  N      -2.928909      1.397853      5.189323
  Mo     -3.612638      3.335842      5.136014
  N      -4.491576      3.043789      6.895816
  C      -3.620536      3.111458      8.057905
  C      -2.241878      2.556665      7.681263
  N      -1.769068      3.182955      6.419851
  C      -0.791517      2.319431      5.722091
  C      -1.529078      1.178222      4.980863
  C      -1.209899      4.531313      6.675259
  C      -1.731232      5.475428      5.588057
  N      -3.146090      5.221774      5.460647
  H      -1.271273      1.209830      3.903688
  H      -1.225264      0.190553      5.371179
  H      -0.265812      2.938621      4.986349
  H      -0.056998      1.924483      6.442285
  H      -1.511436      6.517270      5.864828
  H      -1.228883      5.257173      4.624541
  H      -1.582986      4.891316      7.642322
  H      -0.111193      4.504858      6.709367
  H      -4.015807      2.514472      8.898448
  H      -3.527535      4.157272      8.414967
  H      -2.348426      1.482668      7.499354
  H      -1.512615      2.718960      8.490919
  C      -3.897004      1.086723      4.226911
  C      -4.859147     -0.066738      4.557079
  C      -6.273806      0.183021      3.985461
  C      -6.241557      0.592644      2.538333
  N      -6.165528      1.907797      2.304786
  C      -6.098585      2.309076      1.018864
  N      -6.118484      1.557753     -0.058126
  C      -6.202448      0.209362      0.143752
  C      -6.223772     -0.652338     -0.971280
  C      -6.289655     -2.018855     -0.787714
  C      -6.333317     -2.564122      0.509197
  C      -6.317518     -1.745337      1.618373
  C      -6.257590     -0.339558      1.466893
  C      -4.009275      6.303565      5.882609
  C      -3.932389      7.536343      4.962190
  C      -4.198874      7.204854      3.490184
  C      -5.607397      6.773926      3.172532
  N      -6.533240      6.856708      4.129932
  C      -7.760113      6.382413      3.852808
  N      -8.182674      5.832750      2.734123
  C      -7.288245      5.813076      1.702846
  C      -7.698431      5.322309      0.446401
  C      -6.815916      5.319266     -0.616564
  C      -5.500277      5.788238     -0.452558
  C      -5.068126      6.262015      0.770383
  C      -5.950478      6.293714      1.873823
  C      -5.869928      2.732661      7.199411
  C      -6.737580      3.949559      7.584029
  C      -8.232318      3.617590      7.609744
  C      -8.855126      3.342475      6.261086
  N      -8.096521      3.424317      5.178680
  C      -8.654588      3.144092      3.976846
  N      -9.887494      2.756034      3.752628
  C     -10.712371      2.691715      4.837643
  C     -12.063599      2.319503      4.656346
  C     -12.914234      2.258330      5.737938
  C     -12.449153      2.561436      7.033942
  C     -11.135614      2.920126      7.241552
  C     -10.235581      2.993440      6.151910
  H      -3.504846      0.982752      3.196568
  H      -4.573813      2.020830      4.276870
  H      -4.927936     -0.170956      5.647489
  H      -4.449260     -0.997710      4.144035
  H      -6.888946     -0.715382      4.115082
  H      -6.745823      1.001746      4.544287
  H      -6.022261      3.387028      0.864345
  H      -6.184569     -0.206523     -1.962234
  H      -6.306766     -2.680898     -1.650829
  H      -6.381241     -3.643541      0.637467
  H      -6.352014     -2.179062      2.615232
  H      -5.044301      5.943013      5.873820
  H      -3.769012      6.632242      6.915216
  H      -2.936298      7.991709      5.034110
  H      -4.670981      8.267157      5.313389
  H      -3.967856      8.087857      2.874512
  H      -3.510618      6.404144      3.174389
  H      -8.490699      6.455310      4.663080
  H      -8.719068      4.960190      0.344698
  H      -7.138437      4.944763     -1.585588
  H      -4.815692      5.774576     -1.297915
  H      -4.048446      6.622282      0.884674
  H      -5.929920      1.992890      8.023382
  H      -6.324723      2.279543      6.308601
  H      -6.438403      4.312094      8.576423
  H      -6.554744      4.753413      6.860683
  H      -8.402432      2.739265      8.251409
  H      -8.779892      4.456514      8.064782
  H      -7.990913      3.225553      3.118648
  H     -12.397356      2.096252      3.645571
  H     -13.955471      1.976731      5.594457
  H     -13.137104      2.510422      7.875359
  H     -10.784658      3.154457      8.243918
  N      -2.408197      3.474469      3.509190
96
Coordinates from ORCA-job orca E -6203.011921119410
  N      -2.913904      1.369158      5.186528
  Mo     -3.590298      3.324594      5.131876
  N      -4.479881      3.039402      6.923976
  C      -3.590749      3.109864      8.078480
  C      -2.218279      2.548715      7.685428
  N      -1.748942      3.171338      6.406630
  C      -0.774485      2.298631      5.700397
  C      -1.514630      1.154833      4.968211
  C      -1.183333      4.529112      6.654389
  C      -1.707683      5.475801      5.575923
  N      -3.122333      5.222856      5.464682
  H      -1.260346      1.190809      3.889608
  H      -1.208142      0.165843      5.358604
  H      -0.255554      2.920004      4.959208
  H      -0.033797      1.909271      6.420932
  H      -1.482303      6.518121      5.857925
  H      -1.217342      5.261212      4.600330
  H      -1.550632      4.887633      7.626785
  H      -0.081919      4.492056      6.684320
  H      -3.977135      2.516430      8.928661
  H      -3.485278      4.157764      8.434499
  H      -2.326435      1.473150      7.506460
  H      -1.475073      2.714323      8.485112
  C      -3.888531      1.058476      4.225717
  C      -4.855168     -0.091728      4.568699
  C      -6.277003      0.144718      4.004821
  C      -6.251078      0.538445      2.554381
  N      -6.177691      1.844352      2.300768
  C      -6.106973      2.227079      0.998598
  N      -6.125342      1.453017     -0.072683
  C      -6.209614      0.108326      0.158633
  C      -6.229598     -0.782599     -0.942205
  C      -6.294054     -2.146054     -0.728535
  C      -6.337961     -2.667126      0.586550
  C      -6.323638     -1.821335      1.678664
  C      -6.265329     -0.415588      1.494170
  C      -4.003525      6.286802      5.908326
  C      -3.950156      7.525267      4.995202
  C      -4.229222      7.228752      3.516932
  C      -5.639957      6.806018      3.191665
  N      -6.559139      6.852727      4.151811
  C      -7.803441      6.391179      3.859377
  N      -8.234658      5.891526      2.715392
  C      -7.338246      5.913086      1.682664
  C      -7.755216      5.482155      0.399250
  C      -6.873595      5.522606     -0.664620
  C      -5.546408      5.975737     -0.480695
  C      -5.109495      6.390208      0.764366
  C      -5.993684      6.377250      1.872293
  C      -5.866406      2.734603      7.223692
  C      -6.734667      3.950951      7.604578
  C      -8.229064      3.618999      7.614029
  C      -8.831463      3.356833      6.251263
  N      -8.054855      3.456923      5.181295
  C      -8.599029      3.190467      3.960291
  N      -9.835918      2.799912      3.709615
  C     -10.673348      2.718244      4.788593
  C     -12.025929      2.343593      4.586708
  C     -12.891841      2.265090      5.660142
  C     -12.441711      2.553157      6.970867
  C     -11.126988      2.913892      7.197392
  C     -10.213419      3.003919      6.115843
  H      -3.501559      0.959177      3.196383
  H      -4.578490      1.994544      4.267585
  H      -4.917729     -0.187754      5.662271
  H      -4.441550     -1.026132      4.159205
  H      -6.888257     -0.757734      4.148979
  H      -6.750063      0.968074      4.559009
  H      -6.028794      3.303204      0.827482
  H      -6.189864     -0.357404     -1.947137
  H      -6.309834     -2.829633     -1.580653
  H      -6.384800     -3.747909      0.738753
  H      -6.358344     -2.234349      2.688899
  H      -5.036675      5.912261      5.910208
  H      -3.760528      6.612218      6.944618
  H      -2.953970      7.988709      5.067242
  H      -4.692989      8.247304      5.367029
  H      -4.007213      8.133094      2.922979
  H      -3.539798      6.439840      3.168332
  H      -8.531079      6.432431      4.678670
  H      -8.782387      5.130803      0.282291
  H      -7.200959      5.193785     -1.653394
  H      -4.859982      5.995807     -1.329942
  H      -4.083614      6.739289      0.894218
  H      -5.934175      1.990738      8.047617
  H      -6.318508      2.281957      6.327112
  H      -6.441662      4.311547      8.603614
  H      -6.545403      4.759885      6.884665
  H      -8.408591      2.733778      8.250122
  H      -8.788812      4.453407      8.070627
  H      -7.914673      3.290668      3.110504
  H     -12.349400      2.132089      3.565308
  H     -13.934753      1.981320      5.499727
  H     -13.141580      2.488854      7.807341
  H     -10.787058      3.136537      8.210900
  N      -2.486369      3.454015      3.590071
96
Coordinates from ORCA-job orca E -6203.031564592063
  N      -2.927632      1.385784      5.162105
  Mo     -3.580403      3.364478      5.109816
  N      -4.503949      3.077947      6.928927
  C      -3.608821      3.142726      8.078685
  C      -2.241490      2.570471      7.680961
  N      -1.757876      3.190720      6.398958
  C      -0.785508      2.307985      5.692863
  C      -1.526793      1.169959      4.950708
  C      -1.178773      4.548304      6.655975
  C      -1.684993      5.509240      5.584794
  N      -3.100485      5.270574      5.469891
  H      -1.261063      1.215223      3.874727
  H      -1.228506      0.176786      5.336962
  H      -0.260106      2.932516      4.958848
  H      -0.051765      1.915003      6.418939
  H      -1.449116      6.546726      5.879286
  H      -1.195187      5.299780      4.607280
  H      -1.549226      4.900744      7.629856
  H      -0.077408      4.491388      6.695595
  H      -3.995526      2.549462      8.930274
  H      -3.490869      4.188490      8.440233
  H      -2.355704      1.496109      7.497915
  H      -1.493028      2.730802      8.477660
  C      -3.897490      1.092257      4.188091
  C      -4.879517     -0.047733      4.518061
  C      -6.297027      0.201753      3.945420
  C      -6.266395      0.608715      2.497676
  N      -6.190301      1.913164      2.251087
  C      -6.114796      2.305542      0.946906
  N      -6.131511      1.536053     -0.130490
  C      -6.219170      0.190680      0.097628
  C      -6.238336     -0.698619     -1.008576
  C      -6.306303     -2.062018     -0.800674
  C      -6.355396     -2.590784      0.514530
  C      -6.342320     -1.748130      1.609343
  C      -6.280010     -0.340919      1.428946
  C      -3.990826      6.323365      5.922308
  C      -3.924964      7.547331      4.994397
  C      -4.181964      7.205297      3.524633
  C      -5.586431      6.769915      3.194495
  N      -6.518237      6.857482      4.134170
  C      -7.765959      6.388324      3.836746
  N      -8.177869      5.843855      2.706090
  C      -7.258742      5.816025      1.692267
  C      -7.650721      5.325345      0.419532
  C      -6.747123      5.312274     -0.625221
  C      -5.419135      5.771123     -0.435170
  C      -5.008468      6.242641      0.798192
  C      -5.917646      6.283250      1.886776
  C      -5.892867      2.778040      7.230987
  C      -6.769458      3.988554      7.604040
  C      -8.260203      3.639792      7.624861
  C      -8.876166      3.347280      6.273414
  N      -8.117857      3.436345      5.189497
  C      -8.683320      3.135426      3.982035
  N      -9.920800      2.723410      3.757577
  C     -10.735789      2.654229      4.855061
  C     -12.088074      2.257344      4.686371
  C     -12.933776      2.189285      5.777471
  C     -12.463481      2.510172      7.075374
  C     -11.148334      2.893040      7.268538
  C     -10.256740      2.972909      6.167220
  H      -3.503223      1.002946      3.161503
  H      -4.591748      2.032603      4.219863
  H      -4.952211     -0.149048      5.610688
  H      -4.466170     -0.982812      4.107254
  H      -6.913104     -0.698906      4.083017
  H      -6.768079      1.024224      4.503650
  H      -6.034865      3.383942      0.783111
  H      -6.194883     -0.269649     -2.012673
  H      -6.321157     -2.742791     -1.656101
  H      -6.405171     -3.672802      0.661591
  H      -6.380983     -2.164865      2.618494
  H      -5.023168      5.945190      5.915533
  H      -3.763496      6.652738      6.962150
  H      -2.928874      8.012806      5.069993
  H      -4.671387      8.279721      5.341957
  H      -3.950942      8.087300      2.899517
  H      -3.487467      6.405210      3.213542
  H      -8.506208      6.465611      4.641405
  H      -8.677222      4.971290      0.298177
  H      -7.054335      4.937189     -1.604893
  H      -4.714285      5.748221     -1.270073
  H      -3.983332      6.593209      0.934782
  H      -5.956398      2.036081      8.058974
  H      -6.346006      2.317777      6.337524
  H      -6.478111      4.363523      8.599393
  H      -6.588581      4.792543      6.875678
  H      -8.426424      2.761139      8.275191
  H      -8.829531      4.471548      8.076631
  H      -8.011962      3.225386      3.120414
  H     -12.428253      2.020138      3.675247
  H     -13.976164      1.888223      5.641963
  H     -13.146879      2.453677      7.926789
  H     -10.792666      3.140652      8.271510
  N      -2.560266      3.489975      3.670779
96
Coordinates from ORCA-job orca E -6203.040078064730
  N      -2.913017      1.333263      5.177274
  Mo     -3.542451      3.334862      5.087731
  N      -4.491923      3.078189      6.943048
  C      -3.586573      3.155996      8.080512
  C      -2.223610      2.570305      7.680833
  N      -1.732598      3.167322      6.386553
  C      -0.764868      2.267777      5.692176
  C      -1.509816      1.119733      4.965693
  C      -1.143565      4.528204      6.626930
  C      -1.646762      5.489213      5.554593
  N      -3.064612      5.255771      5.453069
  H      -1.240617      1.153723      3.889488
  H      -1.210692      0.132306      5.364436
  H      -0.239466      2.884641      4.951812
  H      -0.032201      1.887714      6.425678
  H      -1.404398      6.525162      5.850150
  H      -1.163751      5.279392      4.574717
  H      -1.512187      4.884544      7.599957
  H      -0.042639      4.456252      6.671220
  H      -3.966135      2.574222      8.944672
  H      -3.454985      4.204208      8.433922
  H      -2.341870      1.494371      7.510217
  H      -1.465578      2.738957      8.467219
  C      -3.881793      1.035023      4.201556
  C      -4.872728     -0.091101      4.554963
  C      -6.294400      0.139880      3.984259
  C      -6.278051      0.507680      2.526807
  N      -6.206984      1.803946      2.241888
  C      -6.128453      2.156639      0.926786
  N      -6.143804      1.356896     -0.126269
  C      -6.231598      0.019047      0.142151
  C      -6.249972     -0.903069     -0.937183
  C      -6.315097     -2.258774     -0.689419
  C      -6.362307     -2.749512      0.640453
  C      -6.350260     -1.874625      1.708685
  C      -6.291153     -0.473921      1.485728
  C      -3.960286      6.288962      5.936362
  C      -3.931771      7.534862      5.033869
  C      -4.223298      7.245737      3.559413
  C      -5.635469      6.824885      3.238586
  N      -6.546314      6.857038      4.200911
  C      -7.805163      6.418928      3.898427
  N      -8.246220      5.962564      2.742520
  C      -7.348198      5.997008      1.709966
  C      -7.776034      5.613577      0.412244
  C      -6.896773      5.669061     -0.650470
  C      -5.556689      6.088963     -0.455903
  C      -5.112868      6.456465      0.800284
  C      -5.998330      6.427297      1.908046
  C      -5.880588      2.790343      7.247491
  C      -6.760196      4.004107      7.600260
  C      -8.250261      3.654525      7.594429
  C      -8.835277      3.371146      6.226703
  N      -8.055744      3.487815      5.160757
  C      -8.592852      3.204282      3.936604
  N      -9.819307      2.785528      3.676799
  C     -10.655050      2.686038      4.756552
  C     -11.998764      2.278382      4.552029
  C     -12.866443      2.181422      5.622393
  C     -12.428404      2.483510      6.935493
  C     -11.122567      2.876657      7.163232
  C     -10.209270      2.985256      6.083387
  H      -3.488285      0.935534      3.175060
  H      -4.581662      1.978729      4.204421
  H      -4.941923     -0.167512      5.649579
  H      -4.458249     -1.035556      4.166288
  H      -6.905404     -0.758919      4.152482
  H      -6.763292      0.975656      4.524738
  H      -6.046551      3.229039      0.732701
  H      -6.207383     -0.503893     -1.953673
  H      -6.328886     -2.964963     -1.524163
  H      -6.409759     -3.826949      0.818417
  H      -6.387588     -2.260986      2.729838
  H      -4.986368      5.895685      5.946298
  H      -3.721694      6.605391      6.978280
  H      -2.939306      8.010145      5.101447
  H      -4.673167      8.251839      5.422790
  H      -4.009838      8.154048      2.965959
  H      -3.533990      6.464731      3.194676
  H      -8.524714      6.444310      4.724401
  H      -8.811011      5.285714      0.288281
  H      -7.230530      5.375570     -1.649225
  H      -4.870646      6.118977     -1.306120
  H      -4.079624      6.780875      0.941003
  H      -5.954145      2.054306      8.081855
  H      -6.329462      2.320681      6.356346
  H      -6.482982      4.386242      8.597281
  H      -6.568722      4.804774      6.870505
  H      -8.429502      2.773083      8.237976
  H      -8.834649      4.479639      8.039910
  H      -7.902507      3.324411      3.091946
  H     -12.315429      2.056152      3.529825
  H     -13.902378      1.871835      5.458764
  H     -13.129207      2.404208      7.770793
  H     -10.791574      3.109182      8.178171
  N      -2.597821      3.444648      3.693908
96
Coordinates from ORCA-job orca E -6203.047980209725
  N      -2.933157      1.314946      5.189508
  Mo     -3.500177      3.344214      5.049435
  N      -4.503793      3.129277      6.912409
  C      -3.607275      3.211650      8.052392
  C      -2.251601      2.590191      7.678997
  N      -1.724541      3.154135      6.385061
  C      -0.767933      2.224483      5.717618
  C      -1.527788      1.081410      4.996316
  C      -1.106237      4.504970      6.617787
  C      -1.582515      5.472097      5.538271
  N      -3.005295      5.264031      5.437498
  H      -1.242574      1.098497      3.923733
  H      -1.247627      0.095545      5.410295
  H      -0.221591      2.823241      4.978078
  H      -0.052409      1.844705      6.467011
  H      -1.322615      6.503009      5.835028
  H      -1.099500      5.252974      4.562587
  H      -1.477211      4.870678      7.585784
  H      -0.008758      4.402921      6.678851
  H      -4.002089      2.647355      8.921823
  H      -3.455758      4.259585      8.400098
  H      -2.389391      1.515088      7.520143
  H      -1.495946      2.754130      8.468227
  C      -3.884231      1.030685      4.190672
  C      -4.913312     -0.061603      4.535418
  C      -6.311137      0.199491      3.926129
  C      -6.247286      0.551521      2.466512
  N      -6.137879      1.843085      2.170782
  C      -6.008640      2.179421      0.857736
  N      -6.008170      1.371058     -0.185602
  C      -6.136411      0.038453      0.091857
  C      -6.142181     -0.892534     -0.978364
  C      -6.246634     -2.243329     -0.721014
  C      -6.348264     -2.719929      0.609369
  C      -6.350411     -1.835653      1.668913
  C      -6.250981     -0.439937      1.435432
  C      -3.887307      6.293849      5.946875
  C      -3.890534      7.536348      5.038612
  C      -4.223224      7.227131      3.579188
  C      -5.644765      6.803725      3.311186
  N      -6.525870      6.868850      4.299542
  C      -7.797993      6.448797      4.042184
  N      -8.279815      5.978104      2.910715
  C      -7.409002      5.962373      1.854780
  C      -7.877333      5.544741      0.583214
  C      -7.024806      5.544368     -0.501825
  C      -5.673310      5.941511     -0.355671
  C      -5.190833      6.342702      0.874978
  C      -6.047697      6.369463      2.003959
  C      -5.894109      2.858250      7.211415
  C      -6.775663      4.082038      7.523313
  C      -8.264897      3.731443      7.526904
  C      -8.853862      3.404509      6.171708
  N      -8.083284      3.501225      5.097907
  C      -8.625414      3.178557      3.887820
  N      -9.846253      2.741162      3.647184
  C     -10.673361      2.659038      4.734411
  C     -12.011959      2.229161      4.549951
  C     -12.870759      2.149318      5.627430
  C     -12.428773      2.491190      6.928023
  C     -11.127820      2.906882      7.136176
  C     -10.223530      2.998671      6.048400
  H      -3.473859      0.916586      3.171456
  H      -4.569827      1.988697      4.151969
  H      -5.010070     -0.120175      5.628350
  H      -4.512948     -1.022078      4.172891
  H      -6.949822     -0.679560      4.091016
  H      -6.769356      1.053797      4.446106
  H      -5.895728      3.247494      0.657124
  H      -6.057727     -0.504519     -1.995401
  H      -6.249901     -2.956593     -1.548380
  H      -6.426645     -3.793247      0.794196
  H      -6.429928     -2.210530      2.690738
  H      -4.910213      5.895884      5.979981
  H      -3.629173      6.611558      6.983243
  H      -2.899040      8.015923      5.073602
  H      -4.620383      8.255528      5.443423
  H      -4.024922      8.122085      2.961662
  H      -3.546827      6.439201      3.207279
  H      -8.490274      6.503345      4.888420
  H      -8.920364      5.233907      0.497500
  H      -7.388595      5.223078     -1.480180
  H      -5.009357      5.925593     -1.222284
  H      -4.148056      6.646040      0.979719
  H      -5.980905      2.143160      8.063065
  H      -6.337813      2.364091      6.330890
  H      -6.501979      4.496761      8.507461
  H      -6.582534      4.859864      6.770030
  H      -8.443597      2.871067      8.197453
  H      -8.853680      4.564132      7.950608
  H      -7.942556      3.281115      3.037776
  H     -12.332217      1.975863      3.537276
  H     -13.902489      1.822276      5.479182
  H     -13.122283      2.424567      7.769021
  H     -10.793874      3.169187      8.141582
  N      -2.560866      3.437854      3.643507
96
Coordinates from ORCA-job orca E -6203.054124456986
  N      -2.951589      1.306043      5.189627
  Mo     -3.478614      3.355374      5.011757
  N      -4.533583      3.167447      6.890064
  C      -3.633491      3.256708      8.020269
  C      -2.281422      2.614610      7.662259
  N      -1.730628      3.158738      6.372309
  C      -0.777480      2.216175      5.720417
  C      -1.541485      1.075511      4.999590
  C      -1.096488      4.502461      6.608115
  C      -1.560837      5.474577      5.529439
  N      -2.986917      5.277413      5.427111
  H      -1.250873      1.086539      3.929119
  H      -1.261563      0.092556      5.419112
  H      -0.221273      2.808552      4.983546
  H      -0.069573      1.838780      6.477411
  H      -1.295004      6.502582      5.830401
  H      -1.076839      5.256504      4.557673
  H      -1.470743      4.867154      7.574574
  H      -0.002357      4.383029      6.681668
  H      -4.028863      2.701882      8.895755
  H      -3.468153      4.303084      8.367772
  H      -2.429687      1.540280      7.510447
  H      -1.526091      2.776735      8.451438
  C      -3.890674      1.027237      4.177392
  C      -4.934004     -0.050413      4.522190
  C      -6.327006      0.213812      3.907504
  C      -6.266939      0.566552      2.448656
  N      -6.171476      1.860988      2.157581
  C      -6.047921      2.204621      0.848778
  N      -6.039075      1.401949     -0.195874
  C      -6.154336      0.066288      0.074383
  C      -6.152825     -0.857774     -0.999560
  C      -6.245187     -2.210515     -0.749301
  C      -6.342333     -2.694560      0.576693
  C      -6.351759     -1.816547      1.640625
  C      -6.263798     -0.419991      1.414558
  C      -3.862070      6.296068      5.958734
  C      -3.873803      7.546544      5.058480
  C      -4.199089      7.233311      3.599654
  C      -5.615148      6.803023      3.317009
  N      -6.513240      6.876991      4.290300
  C      -7.779970      6.467337      4.009877
  N      -8.244959      6.000500      2.871611
  C      -7.353113      5.959428      1.834925
  C      -7.797959      5.526156      0.561936
  C      -6.922255      5.498711     -0.503726
  C      -5.572075      5.884408     -0.334901
  C      -5.112368      6.300028      0.899187
  C      -5.992571      6.353103      2.008035
  C      -5.917552      2.902368      7.201935
  C      -6.804944      4.126656      7.495570
  C      -8.289054      3.761798      7.525004
  C      -8.890763      3.400027      6.186841
  N      -8.137721      3.497814      5.102321
  C      -8.690000      3.153626      3.906064
  N      -9.902415      2.691493      3.686588
  C     -10.713254      2.602257      4.785410
  C     -12.043647      2.142962      4.623660
  C     -12.885676      2.057317      5.712665
  C     -12.434320      2.422989      7.001889
  C     -11.140754      2.867858      7.187946
  C     -10.253256      2.965556      6.088188
  H      -3.472617      0.909261      3.161098
  H      -4.574234      1.986215      4.102884
  H      -5.036419     -0.099022      5.614412
  H      -4.536646     -1.016973      4.173993
  H      -6.967826     -0.661580      4.077842
  H      -6.781707      1.070436      4.426085
  H      -5.946708      3.275264      0.654624
  H      -6.072851     -0.464023     -2.013315
  H      -6.242687     -2.918900     -1.579085
  H      -6.411525     -3.768327      0.754613
  H      -6.427827     -2.196707      2.659439
  H      -4.880892      5.891452      5.993630
  H      -3.601050      6.604308      6.995432
  H      -2.884543      8.029701      5.094276
  H      -4.602118      8.263429      5.466919
  H      -3.996420      8.121377      2.975344
  H      -3.517180      6.446379      3.238227
  H      -8.485675      6.530896      4.843281
  H      -8.840876      5.224356      0.459646
  H      -7.266603      5.164689     -1.483443
  H      -4.890671      5.845763     -1.185509
  H      -4.069312      6.590950      1.022516
  H      -5.999776      2.204245      8.067748
  H      -6.368287      2.386086      6.337740
  H      -6.525405      4.567521      8.465579
  H      -6.626355      4.888641      6.723030
  H      -8.451568      2.914913      8.215301
  H      -8.884654      4.592424      7.941533
  H      -8.022681      3.262640      3.047376
  H     -12.371832      1.871988      3.619530
  H     -13.910908      1.707481      5.582149
  H     -13.114350      2.351506      7.851716
  H     -10.799982      3.147737      8.184830
  N      -2.566253      3.458378      3.575307
96
Coordinates from ORCA-job orca E -6203.058234548884
  N      -2.951038      1.288977      5.189362
  Mo     -3.436274      3.352311      4.970979
  N      -4.554037      3.200206      6.849769
  C      -3.652749      3.294810      7.975760
  C      -2.303705      2.627520      7.642772
  N      -1.720320      3.149798      6.358029
  C      -0.769559      2.190989      5.726492
  C      -1.537900      1.055112      5.005073
  C      -1.068174      4.485837      6.596069
  C      -1.519261      5.460778      5.515371
  N      -2.947777      5.273174      5.412121
  H      -1.242478      1.057386      3.936549
  H      -1.262251      0.073569      5.431366
  H      -0.198078      2.772685      4.992526
  H      -0.073076      1.812940      6.493871
  H      -1.247849      6.487041      5.817970
  H      -1.033542      5.241545      4.545705
  H      -1.444840      4.854533      7.560192
  H       0.023020      4.350825      6.680333
  H      -4.055939      2.754366      8.857332
  H      -3.472544      4.340907      8.319212
  H      -2.466231      1.554027      7.500491
  H      -1.555878      2.786799      8.439672
  C      -3.877079      1.013424      4.163237
  C      -4.937867     -0.047879      4.505434
  C      -6.319257      0.224316      3.871890
  C      -6.241147      0.563714      2.410873
  N      -6.139564      1.856037      2.110300
  C      -5.999256      2.189245      0.800745
  N      -5.976745      1.377774     -0.236688
  C      -6.097123      0.044139      0.042413
  C      -6.082153     -0.888299     -1.023413
  C      -6.180301     -2.239122     -0.762835
  C      -6.297412     -2.711671      0.565255
  C      -6.320356     -1.824872      1.621955
  C      -6.226029     -0.430726      1.385413
  C      -3.813371      6.279886      5.977101
  C      -3.854254      7.542040      5.091894
  C      -4.210674      7.233950      3.640519
  C      -5.628743      6.793030      3.390160
  N      -6.506202      6.864640      4.382918
  C      -7.778055      6.457160      4.128038
  N      -8.268043      5.996512      2.997747
  C      -7.395005      5.943604      1.945487
  C      -7.863745      5.501009      0.684736
  C      -7.005978      5.458791     -0.395256
  C      -5.651524      5.839212     -0.253029
  C      -5.168432      6.264257      0.968965
  C      -6.029284      6.332437      2.092017
  C      -5.937336      2.952210      7.163961
  C      -6.817725      4.190513      7.422671
  C      -8.303416      3.835825      7.464458
  C      -8.911655      3.439513      6.139276
  N      -8.164612      3.512363      5.048306
  C      -8.721751      3.138150      3.863795
  N      -9.934477      2.669447      3.662042
  C     -10.739606      2.602629      4.767280
  C     -12.068644      2.134295      4.623709
  C     -12.904148      2.070538      5.719435
  C     -12.446832      2.467854      6.996917
  C     -11.154007      2.922073      7.165300
  C     -10.273146      2.997732      6.058658
  H      -3.446548      0.885722      3.153173
  H      -4.553680      1.973082      4.050001
  H      -5.053386     -0.080856      5.597020
  H      -4.546479     -1.024095      4.177447
  H      -6.970801     -0.642813      4.045506
  H      -6.770299      1.090549      4.377715
  H      -5.896236      3.258940      0.599688
  H      -5.987608     -0.503248     -2.039289
  H      -6.167348     -2.954721     -1.586379
  H      -6.371452     -3.783942      0.750603
  H      -6.412156     -2.195753      2.643070
  H      -4.827719      5.866073      6.029756
  H      -3.531826      6.576683      7.011330
  H      -2.867563      8.031967      5.108034
  H      -4.575289      8.251218      5.525439
  H      -4.026562      8.121987      3.010394
  H      -3.531617      6.451399      3.264160
  H      -8.466030      6.520360      4.976674
  H      -8.909609      5.202797      0.603464
  H      -7.367813      5.116466     -1.365876
  H      -4.984898      5.787452     -1.114643
  H      -4.121310      6.548251      1.071982
  H      -6.028947      2.277372      8.047348
  H      -6.392573      2.415745      6.314308
  H      -6.534634      4.660166      8.378063
  H      -6.635081      4.927708      6.627282
  H      -8.470191      3.010186      8.179438
  H      -8.894963      4.679232      7.861036
  H      -8.057698      3.222074      2.999653
  H     -12.401503      1.838370      3.628136
  H     -13.928632      1.713395      5.603098
  H     -13.121689      2.413264      7.852203
  H     -10.808727      3.226039      8.153707
  N      -2.554998      3.462265      3.521199
96
Coordinates from ORCA-job orca E -6203.060496199283
  N      -2.995957      1.291435      5.185226
  Mo     -3.422629      3.371131      4.931841
  N      -4.598460      3.248454      6.800521
  C      -3.701743      3.344666      7.928250
  C      -2.358758      2.642893      7.623245
  N      -1.735100      3.140028      6.344034
  C      -0.796595      2.152362      5.733770
  C      -1.584111      1.031746      5.008433
  C      -1.051643      4.461392      6.585053
  C      -1.477775      5.443059      5.500316
  N      -2.911380      5.283870      5.390695
  H      -1.283733      1.023707      3.941521
  H      -1.328273      0.046051      5.439121
  H      -0.199438      2.715308      5.003925
  H      -0.119437      1.762015      6.512929
  H      -1.187938      6.465451      5.800691
  H      -0.991216      5.212495      4.534521
  H      -1.425617      4.839872      7.546462
  H       0.037011      4.300669      6.676895
  H      -4.120635      2.820240      8.813262
  H      -3.505878      4.390860      8.265962
  H      -2.544698      1.571265      7.489370
  H      -1.622044      2.792039      8.431593
  C      -3.915490      1.030352      4.146516
  C      -5.006384     -0.004847      4.484378
  C      -6.369126      0.287202      3.817775
  C      -6.252314      0.593409      2.349212
  N      -6.133490      1.879223      2.017721
  C      -5.960804      2.180471      0.700700
  N      -5.914765      1.341921     -0.317344
  C      -6.047581      0.013878     -0.007018
  C      -6.006514     -0.946676     -1.050647
  C      -6.118756     -2.292447     -0.756976
  C      -6.277272     -2.731189      0.582350
  C      -6.326085     -1.816050      1.617914
  C      -6.216797     -0.426547      1.347466
  C      -3.747266      6.301006      5.981662
  C      -3.746592      7.575607      5.117241
  C      -4.099544      7.288998      3.662690
  C      -5.530131      6.909503      3.396991
  N      -6.418231      7.040754      4.374200
  C      -7.712744      6.709511      4.099769
  N      -8.216837      6.273572      2.963680
  C      -7.322744      6.142522      1.931932
  C      -7.791596      5.694915      0.672856
  C      -6.906856      5.564283     -0.383727
  C      -5.528368      5.866168     -0.220697
  C      -5.045983      6.295941      1.000003
  C      -5.930771      6.446938      2.100604
  C      -5.982565      3.008437      7.115931
  C      -6.880433      4.250441      7.317998
  C      -8.358895      3.866949      7.411352
  C      -8.999085      3.357446      6.130272
  N      -8.288460      3.362400      5.011877
  C      -8.876325      2.879478      3.872560
  N     -10.085394      2.364570      3.742429
  C     -10.854166      2.362819      4.876101
  C     -12.177533      1.845444      4.807410
  C     -12.976281      1.843503      5.933242
  C     -12.486175      2.353705      7.166932
  C     -11.197394      2.858173      7.262314
  C     -10.353742      2.872295      6.123293
  H      -3.471914      0.884663      3.143544
  H      -4.570819      2.000723      4.001404
  H      -5.143385     -0.018868      5.575426
  H      -4.628771     -0.996060      4.180560
  H      -7.041200     -0.564431      3.995810
  H      -6.814412      1.173301      4.297134
  H      -5.855033      3.246777      0.473559
  H      -5.881043     -0.587582     -2.075800
  H      -6.085353     -3.029883     -1.563218
  H      -6.362636     -3.799458      0.793462
  H      -6.449398     -2.160481      2.648217
  H      -4.769391      5.913240      6.031695
  H      -3.452507      6.573359      7.019371
  H      -2.745585      8.030840      5.143007
  H      -4.443190      8.305126      5.556943
  H      -3.869965      8.165982      3.034781
  H      -3.450426      6.478357      3.294446
  H      -8.408425      6.818546      4.937019
  H      -8.856728      5.459110      0.574964
  H      -7.267206      5.215108     -1.352344
  H      -4.842007      5.746081     -1.063990
  H      -3.978959      6.513409      1.120600
  H      -6.071042      2.369087      8.028517
  H      -6.434450      2.430994      6.287877
  H      -6.591147      4.784272      8.243727
  H      -6.724665      4.946251      6.473983
  H      -8.492289      3.085837      8.189481
  H      -8.958281      4.725874      7.764530
  H      -8.242904      2.907386      2.983917
  H     -12.535745      1.461804      3.844130
  H     -13.996381      1.447796      5.874619
  H     -13.132143      2.346472      8.046566
  H     -10.827030      3.248845      8.217134
  N      -2.571337      3.457655      3.463775
96
Coordinates from ORCA-job orca E -6203.064238842490
  N      -2.940611      1.277580      5.157565
  Mo     -3.377687      3.351265      4.896836
  N      -4.589413      3.213613      6.758618
  C      -3.682645      3.317309      7.879421
  C      -2.330409      2.633101      7.579807
  N      -1.698364      3.139309      6.308294
  C      -0.749545      2.165153      5.697048
  C      -1.525179      1.043348      4.964658
  C      -1.025879      4.463884      6.558432
  C      -1.471713      5.445521      5.483983
  N      -2.903988      5.267329      5.387759
  H      -1.235788      1.046371      3.895624
  H      -1.249143      0.059287      5.385253
  H      -0.157498      2.737547      4.972001
  H      -0.068716      1.779356      6.474744
  H      -1.194804      6.469511      5.788647
  H      -0.990000      5.229155      4.511980
  H      -1.398058      4.830195      7.525841
  H       0.061351      4.314297      6.644021
  H      -4.090049      2.786762      8.765542
  H      -3.496615      4.361756      8.223860
  H      -2.504370      1.562154      7.440924
  H      -1.602242      2.786112      8.395264
  C      -3.857111      1.003550      4.119493
  C      -4.924531     -0.048850      4.461742
  C      -6.296240      0.203254      3.804368
  C      -6.201725      0.501555      2.334009
  N      -6.143441      1.787106      1.992602
  C      -6.001357      2.082825      0.672290
  N      -5.927723      1.236392     -0.339250
  C      -5.995784     -0.092214     -0.017521
  C      -5.923022     -1.060431     -1.052755
  C      -5.972543     -2.406228     -0.747387
  C      -6.098966     -2.837272      0.595461
  C      -6.177980     -1.914759      1.623034
  C      -6.131700     -0.525199      1.340690
  C      -3.743327      6.258982      6.032621
  C      -3.791332      7.555693      5.191433
  C      -4.192278      7.292465      3.741840
  C      -5.630769      6.912878      3.517185
  N      -6.491739      7.057358      4.516327
  C      -7.795027      6.741785      4.273302
  N      -8.330039      6.307164      3.150855
  C      -7.460360      6.141423      2.104741
  C      -7.956852      5.665051      0.867394
  C      -7.097740      5.498909     -0.202735
  C      -5.718315      5.796329     -0.076861
  C      -5.207819      6.251002      1.122298
  C      -6.065157      6.434485      2.237623
  C      -5.972145      2.969908      7.075032
  C      -6.859302      4.219943      7.268301
  C      -8.347000      3.880953      7.349816
  C      -8.986545      3.409205      6.064227
  N      -8.264758      3.393476      4.955242
  C      -8.856406      2.960939      3.807488
  N     -10.083544      2.526779      3.657352
  C     -10.861629      2.552607      4.781588
  C     -12.201716      2.129614      4.690064
  C     -13.011222      2.158345      5.805620
  C     -12.514516      2.604757      7.050733
  C     -11.209927      3.017870      7.167748
  C     -10.355168      3.000588      6.039565
  H      -3.413965      0.864331      3.116339
  H      -4.526529      1.960317      3.960270
  H      -5.051583     -0.059707      5.553011
  H      -4.529540     -1.033055      4.162431
  H      -6.943325     -0.664446      3.991702
  H      -6.760222      1.077314      4.283203
  H      -5.950215      3.150891      0.436324
  H      -5.824398     -0.707216     -2.080835
  H      -5.914745     -3.149706     -1.547311
  H      -6.135555     -3.905901      0.815712
  H      -6.276320     -2.252992      2.656051
  H      -4.759544      5.851086      6.113119
  H      -3.414695      6.512684      7.065939
  H      -2.791690      8.021739      5.190084
  H      -4.481082      8.269694      5.672000
  H      -3.983362      8.176062      3.113443
  H      -3.551186      6.486787      3.345224
  H      -8.469879      6.865559      5.126966
  H      -9.022267      5.434953      0.797619
  H      -7.479699      5.126951     -1.154677
  H      -5.052668      5.649871     -0.930892
  H      -4.140214      6.459658      1.214940
  H      -6.066077      2.336612      7.989551
  H      -6.426021      2.392068      6.250893
  H      -6.568980      4.750357      8.190904
  H      -6.683249      4.908233      6.425978
  H      -8.517582      3.106012      8.120292
  H      -8.919207      4.755679      7.702516
  H      -8.212014      2.953576      2.926534
  H     -12.564309      1.794517      3.718733
  H     -14.044485      1.836974      5.729061
  H     -13.169054      2.623443      7.922330
  H     -10.835163      3.363521      8.130405
  N      -2.594352      3.471197      3.393888
96
Coordinates from ORCA-job orca E -6203.067331643986
  N      -2.915999      1.275764      5.147007
  Mo     -3.340251      3.347826      4.873115
  N      -4.589403      3.213435      6.713033
  C      -3.676594      3.318483      7.832094
  C      -2.320596      2.631528      7.546907
  N      -1.665629      3.133578      6.282118
  C      -0.719135      2.151047      5.677978
  C      -1.501715      1.037457      4.940958
  C      -0.986226      4.455021      6.534638
  C      -1.440001      5.439316      5.464548
  N      -2.874964      5.259541      5.381476
  H      -1.221877      1.042917      3.869357
  H      -1.225144      0.049939      5.355051
  H      -0.117089      2.718046      4.956690
  H      -0.046131      1.759243      6.459386
  H      -1.160669      6.464218      5.765317
  H      -0.966023      5.222971      4.488722
  H      -1.349497      4.819594      7.506590
  H       0.101562      4.302784      6.610878
  H      -4.086597      2.793082      8.720416
  H      -3.490432      4.364065      8.174062
  H      -2.495870      1.560944      7.407807
  H      -1.605896      2.784535      8.374225
  C      -3.839169      0.994221      4.115873
  C      -4.900415     -0.061390      4.472498
  C      -6.277821      0.173469      3.825213
  C      -6.196740      0.457173      2.353455
  N      -6.162533      1.737708      2.001490
  C      -6.041756      2.022866      0.679110
  N      -5.964184      1.169857     -0.324067
  C      -6.005612     -0.154445      0.010509
  C      -5.930381     -1.129056     -1.014433
  C      -5.957536     -2.470777     -0.697792
  C      -6.062839     -2.891588      0.647150
  C      -6.143331     -1.963307      1.664816
  C      -6.119367     -0.577115      1.370761
  C      -3.701014      6.237693      6.068725
  C      -3.788998      7.550871      5.252411
  C      -4.235752      7.315056      3.809316
  C      -5.681860      6.935189      3.619046
  N      -6.523571      7.094643      4.633695
  C      -7.831208      6.786869      4.418211
  N      -8.385775      6.342370      3.311528
  C      -7.536050      6.146377      2.255033
  C      -8.053372      5.641661      1.037456
  C      -7.218731      5.450885     -0.044634
  C      -5.841854      5.749455      0.048452
  C      -5.309527      6.227179      1.228702
  C      -6.142943      6.437765      2.355940
  C      -5.975238      2.979900      7.019222
  C      -6.840604      4.247177      7.186131
  C      -8.335283      3.950438      7.253738
  C      -8.964755      3.503873      5.961496
  N      -8.231424      3.516423      4.859915
  C      -8.812869      3.103683      3.705065
  N     -10.039940      2.658631      3.542065
  C     -10.828139      2.646671      4.661676
  C     -12.163553      2.186694      4.562249
  C     -12.978923      2.167524      5.675687
  C     -12.494237      2.606120      6.925067
  C     -11.194945      3.056202      7.048982
  C     -10.332836      3.081144      5.924823
  H      -3.399511      0.845570      3.112938
  H      -4.506220      1.948262      3.942421
  H      -5.018170     -0.061901      5.564429
  H      -4.504627     -1.047328      4.181397
  H      -6.919391     -0.696616      4.023959
  H      -6.743346      1.048225      4.299862
  H      -6.010407      3.088168      0.434665
  H      -5.849469     -0.783814     -2.044274
  H      -5.898978     -3.218665     -1.489956
  H      -6.082738     -3.957770      0.876484
  H      -6.226845     -2.293829      2.699035
  H      -4.711173      5.819897      6.178553
  H      -3.335762      6.473370      7.092960
  H      -2.792232      8.025696      5.228321
  H      -4.469769      8.247193      5.769110
  H      -4.045551      8.209079      3.187328
  H      -3.603381      6.516987      3.383405
  H      -8.494200      6.935269      5.279197
  H      -9.116311      5.411993      0.992512
  H      -7.618194      5.058348     -0.981697
  H      -5.195145      5.584828     -0.814810
  H      -4.244550      6.433815      1.296204
  H      -6.088085      2.360682      7.938940
  H      -6.424339      2.399448      6.197072
  H      -6.546514      4.781029      8.101716
  H      -6.640599      4.917183      6.338913
  H      -8.534040      3.182410      8.018746
  H      -8.889809      4.838413      7.600590
  H      -8.159403      3.118034      2.825555
  H     -12.516144      1.857234      3.587406
  H     -14.009050      1.811325      5.594174
  H     -13.152564      2.587312      7.795909
  H     -10.828891      3.390380      8.016305
  N      -2.636628      3.471549      3.339123
96
Coordinates from ORCA-job orca E -6203.070839777970
  N      -2.886305      1.299223      5.106246
  Mo     -3.317094      3.357842      4.848173
  N      -4.591346      3.197043      6.645164
  C      -3.672197      3.298488      7.764454
  C      -2.306915      2.624336      7.491021
  N      -1.633231      3.139003      6.241345
  C      -0.686486      2.160082      5.632589
  C      -1.474198      1.060416      4.879861
  C      -0.955563      4.456782      6.508519
  C      -1.427789      5.448121      5.451119
  N      -2.864246      5.259106      5.383117
  H      -1.208719      1.081567      3.804791
  H      -1.193547      0.065513      5.273976
  H      -0.077868      2.730515      4.920171
  H      -0.018938      1.755534      6.411363
  H      -1.150905      6.474117      5.750654
  H      -0.963333      5.238852      4.469458
  H      -1.306799      4.809005      7.489543
  H       0.133999      4.311741      6.567194
  H      -4.082486      2.767256      8.647852
  H      -3.499545      4.343508      8.110341
  H      -2.473930      1.554893      7.341079
  H      -1.612743      2.776077      8.335563
  C      -3.822688      1.009399      4.087277
  C      -4.868496     -0.059308      4.450323
  C      -6.247577      0.156923      3.798142
  C      -6.161434      0.412875      2.320749
  N      -6.144837      1.684757      1.939677
  C      -6.023284      1.943132      0.610489
  N      -5.923723      1.069970     -0.373301
  C      -5.941797     -0.246665     -0.007303
  C      -5.840117     -1.242560     -1.009051
  C      -5.846353     -2.576969     -0.661754
  C      -5.956374     -2.969645      0.692426
  C      -6.061603     -2.020988      1.687529
  C      -6.058544     -0.641160      1.362009
  C      -3.672877      6.219263      6.115953
  C      -3.790510      7.543869      5.329692
  C      -4.284770      7.319258      3.901324
  C      -5.738142      6.941941      3.758530
  N      -6.551550      7.133889      4.789566
  C      -7.867871      6.841069      4.613008
  N      -8.455650      6.379107      3.531387
  C      -7.635615      6.138111      2.463634
  C      -8.188044      5.596552      1.276542
  C      -7.382826      5.353086      0.185430
  C      -6.000768      5.636874      0.237081
  C      -5.434833      6.150378      1.386719
  C      -6.237613      6.413032      2.523539
  C      -5.978484      2.967776      6.948497
  C      -6.820798      4.248801      7.098666
  C      -8.321941      3.991022      7.167303
  C      -8.951689      3.542228      5.876852
  N      -8.205144      3.514745      4.784195
  C      -8.788312      3.109900      3.628793
  N     -10.031604      2.713178      3.456014
  C     -10.830846      2.739768      4.567199
  C     -12.180648      2.331102      4.458510
  C     -13.006885      2.357138      5.563343
  C     -12.519478      2.792803      6.812721
  C     -11.206474      3.191690      6.945678
  C     -10.332554      3.168440      5.831110
  H      -3.389429      0.859496      3.081804
  H      -4.489830      1.955830      3.917853
  H      -4.984377     -0.055235      5.542637
  H      -4.464551     -1.042904      4.164906
  H      -6.884888     -0.715310      4.005204
  H      -6.722190      1.035933      4.256846
  H      -6.012501      3.003710      0.342290
  H      -5.756608     -0.918851     -2.046842
  H      -5.767835     -3.340687     -1.436430
  H      -5.960288     -4.030796      0.946575
  H      -6.148886     -2.330353      2.728961
  H      -4.675357      5.794516      6.249721
  H      -3.271488      6.433418      7.128787
  H      -2.797661      8.023578      5.279470
  H      -4.457128      8.225623      5.877475
  H      -4.111453      8.215541      3.277249
  H      -3.667839      6.521774      3.455961
  H      -8.507402      7.018903      5.485350
  H      -9.254714      5.379342      1.263150
  H      -7.809714      4.930982     -0.727010
  H      -5.376827      5.432348     -0.632893
  H      -4.365650      6.342326      1.423336
  H      -6.095925      2.361450      7.872190
  H      -6.429430      2.384565      6.130432
  H      -6.512639      4.790725      8.003324
  H      -6.606767      4.898057      6.241675
  H      -8.545613      3.242905      7.944974
  H      -8.851496      4.903030      7.494126
  H      -8.127512      3.095932      2.753419
  H     -12.534687      2.004303      3.482630
  H     -14.047996      2.042293      5.475075
  H     -13.186511      2.813271      7.676129
  H     -10.838880      3.526245      7.913420
  N      -2.714292      3.509458      3.279565
96
Coordinates from ORCA-job orca E -6203.074646396175
  N      -2.870339      1.327540      5.080473
  Mo     -3.316621      3.366488      4.840429
  N      -4.609592      3.177044      6.572840
  C      -3.689391      3.280457      7.698358
  C      -2.311065      2.621864      7.447298
  N      -1.616212      3.147709      6.215531
  C      -0.667702      2.173613      5.603308
  C      -1.460522      1.084433      4.837541
  C      -0.944655      4.462529      6.494859
  C      -1.434010      5.455716      5.444796
  N      -2.871861      5.258016      5.387234
  H      -1.206490      1.116751      3.759175
  H      -1.177910      0.083601      5.215923
  H      -0.053650      2.746952      4.898271
  H      -0.005070      1.757982      6.379759
  H      -1.161346      6.484393      5.737142
  H      -0.974829      5.247889      4.461334
  H      -1.286089      4.805178      7.482306
  H       0.147716      4.327642      6.537752
  H      -4.104925      2.742596      8.573900
  H      -3.539030      4.326713      8.044147
  H      -2.466160      1.552288      7.288934
  H      -1.644604      2.777425      8.312546
  C      -3.823333      1.022819      4.076676
  C      -4.847859     -0.063135      4.449301
  C      -6.233810      0.136562      3.803611
  C      -6.155796      0.386422      2.324203
  N      -6.173272      1.653023      1.930556
  C      -6.069258      1.901678      0.599433
  N      -5.952141      1.023619     -0.375189
  C      -5.930387     -0.287929      0.004143
  C      -5.805765     -1.289441     -0.986725
  C      -5.774240     -2.618493     -0.627505
  C      -5.868873     -3.000629      0.729410
  C      -5.995797     -2.047223      1.713716
  C      -6.030054     -0.672499      1.376006
  C      -3.660049      6.211153      6.142887
  C      -3.769996      7.545923      5.385903
  C      -4.258676      7.349762      3.956226
  C      -5.710885      6.983256      3.793359
  N      -6.536124      7.173425      4.812859
  C      -7.851769      6.896461      4.614600
  N      -8.430458      6.451873      3.518993
  C      -7.600226      6.207570      2.464570
  C      -8.142301      5.672590      1.266962
  C      -7.322479      5.412535      0.193776
  C      -5.936712      5.678728      0.271437
  C      -5.382714      6.188583      1.430476
  C      -6.199651      6.463241      2.551364
  C      -5.994493      2.938163      6.883687
  C      -6.834086      4.217363      7.027804
  C      -8.337324      3.965337      7.131446
  C      -8.998553      3.488314      5.861582
  N      -8.267262      3.413100      4.758343
  C      -8.881028      2.992158      3.620717
  N     -10.142585      2.629624      3.471799
  C     -10.924393      2.703363      4.594367
  C     -12.290813      2.335772      4.512471
  C     -13.100008      2.414176      5.628872
  C     -12.578833      2.862742      6.864195
  C     -11.249317      3.221507      6.971396
  C     -10.391839      3.145767      5.844213
  H      -3.399939      0.870097      3.066516
  H      -4.490822      1.959526      3.918543
  H      -4.954260     -0.062472      5.542395
  H      -4.436326     -1.041430      4.160176
  H      -6.860856     -0.742749      4.010155
  H      -6.719015      1.009589      4.261038
  H      -6.095924      2.959407      0.322119
  H      -5.735505     -0.973536     -2.026907
  H      -5.677903     -3.386053     -1.394354
  H      -5.843458     -4.057673      0.994200
  H      -6.070727     -2.349352      2.757058
  H      -4.659628      5.790247      6.278999
  H      -3.243664      6.405345      7.150648
  H      -2.778514      8.021414      5.345074
  H      -4.431880      8.217476      5.943020
  H      -4.077610      8.256735      3.353025
  H      -3.643624      6.558424      3.504066
  H      -8.496451      7.060721      5.482069
  H      -9.212680      5.468391      1.233153
  H      -7.741604      4.992654     -0.724434
  H      -5.300862      5.463592     -0.584981
  H      -4.309978      6.365322      1.488123
  H      -6.092885      2.343534      7.813274
  H      -6.449185      2.341851      6.075825
  H      -6.502813      4.778103      7.914430
  H      -6.637638      4.848917      6.154603
  H      -8.553481      3.238006      7.934144
  H      -8.849154      4.894752      7.442169
  H      -8.236020      2.944081      2.736195
  H     -12.670523      1.999047      3.546079
  H     -14.152572      2.133842      5.561673
  H     -13.233171      2.926347      7.736083
  H     -10.856309      3.569474      7.928277
  N      -2.818799      3.539513      3.245197
96
Coordinates from ORCA-job orca E -6203.078128908312
  N      -2.855673      1.353846      5.051828
  Mo     -3.291832      3.384638      4.830271
  N      -4.608272      3.191017      6.486632
  C      -3.695634      3.289083      7.625848
  C      -2.308196      2.623795      7.409296
  N      -1.578707      3.143554      6.193542
  C      -0.640589      2.155339      5.584548
  C      -1.450302      1.085399      4.804340
  C      -0.895589      4.450208      6.476824
  C      -1.384831      5.450358      5.428369
  N      -2.827190      5.264520      5.382459
  H      -1.196317      1.125089      3.725463
  H      -1.183383      0.075443      5.170606
  H      -0.008147      2.720990      4.887684
  H       0.007438      1.720005      6.363178
  H      -1.100989      6.478649      5.712296
  H      -0.932460      5.235107      4.444334
  H      -1.226189      4.793129      7.467190
  H       0.198925      4.308445      6.509251
  H      -4.130885      2.752917      8.492436
  H      -3.553593      4.337406      7.966779
  H      -2.464517      1.553200      7.250870
  H      -1.670814      2.781149      8.295054
  C      -3.827702      1.047569      4.060336
  C      -4.851085     -0.039744      4.441842
  C      -6.234159      0.162002      3.786520
  C      -6.141835      0.389509      2.301471
  N      -6.165032      1.649362      1.880136
  C      -6.045378      1.873190      0.543721
  N      -5.902862      0.976765     -0.412142
  C      -5.872771     -0.329233     -0.005373
  C      -5.717295     -1.350416     -0.974898
  C      -5.676770     -2.673364     -0.587074
  C      -5.793038     -3.029464      0.778478
  C      -5.949635     -2.056220      1.742286
  C      -5.992688     -0.687703      1.375303
  C      -3.588374      6.219751      6.156334
  C      -3.713972      7.555892      5.406893
  C      -4.254351      7.352356      3.995349
  C      -5.714452      7.004283      3.899403
  N      -6.496240      7.259051      4.940185
  C      -7.826466      7.007164      4.805979
  N      -8.460681      6.532013      3.754502
  C      -7.674290      6.216403      2.681570
  C      -8.273504      5.637775      1.533546
  C      -7.494035      5.293606      0.447489
  C      -6.094547      5.522787      0.461851
  C      -5.486962      6.080063      1.568944
  C      -6.259904      6.437523      2.702273
  C      -5.998319      2.962187      6.796069
  C      -6.840485      4.243117      6.928908
  C      -8.345387      3.990041      7.036932
  C      -9.011580      3.500572      5.770274
  N      -8.277804      3.402915      4.670038
  C      -8.896135      2.980460      3.533191
  N     -10.164356      2.637314      3.379427
  C     -10.947175      2.730578      4.498306
  C     -12.321057      2.383095      4.412007
  C     -13.132975      2.479605      5.524274
  C     -12.607309      2.926707      6.760782
  C     -11.270571      3.266782      6.872755
  C     -10.410151      3.173044      5.749493
  H      -3.412007      0.886469      3.046624
  H      -4.483343      1.984576      3.912890
  H      -4.961257     -0.036806      5.536175
  H      -4.440420     -1.021471      4.156974
  H      -6.865268     -0.713697      3.997058
  H      -6.722318      1.042925      4.228418
  H      -6.080403      2.926336      0.244633
  H      -5.630648     -1.053860     -2.022108
  H      -5.555932     -3.456169     -1.337742
  H      -5.760181     -4.081089      1.067007
  H      -6.039837     -2.339010      2.792517
  H      -4.587345      5.803690      6.317699
  H      -3.141449      6.409371      7.153789
  H      -2.723494      8.028789      5.330551
  H      -4.355448      8.230821      5.987901
  H      -4.085610      8.251533      3.377627
  H      -3.667396      6.548068      3.528842
  H      -8.431204      7.222417      5.691447
  H      -9.352923      5.461614      1.548343
  H      -7.956372      4.836913     -0.429000
  H      -5.490191      5.240467     -0.403441
  H      -4.404090      6.226826      1.579846
  H      -6.090847      2.374882      7.732038
  H      -6.450333      2.357075      5.992391
  H      -6.505429      4.816134      7.809369
  H      -6.649802      4.867478      6.046358
  H      -8.563169      3.272110      7.848615
  H      -8.851306      4.927005      7.335997
  H      -8.250304      2.915309      2.654987
  H     -12.703540      2.046762      3.445748
  H     -14.190333      2.214303      5.454569
  H     -13.264436      3.003504      7.628709
  H     -10.874702      3.613200      7.829511
  N      -2.880883      3.568121      3.212626
96
Coordinates from ORCA-job orca E -6203.081289235995
  N      -2.834166      1.375107      5.003957
  Mo     -3.288128      3.395488      4.822370
  N      -4.614054      3.175770      6.419150
  C      -3.699862      3.266592      7.565110
  C      -2.300367      2.615201      7.362884
  N      -1.554213      3.146584      6.163204
  C      -0.619481      2.163993      5.542520
  C      -1.431788      1.110570      4.740900
  C      -0.876891      4.451133      6.460602
  C      -1.384972      5.462329      5.430083
  N      -2.827825      5.272880      5.398415
  H      -1.183599      1.175439      3.662228
  H      -1.161282      0.093649      5.081697
  H       0.017729      2.738510      4.857955
  H       0.024636      1.712602      6.314896
  H      -1.102062      6.489729      5.718152
  H      -0.941351      5.257879      4.439561
  H      -1.196046      4.777772      7.460106
  H       0.217497      4.316190      6.477699
  H      -4.137717      2.719091      8.421785
  H      -3.570764      4.312417      7.913272
  H      -2.443785      1.545074      7.196295
  H      -1.684146      2.775061      8.262904
  C      -3.825111      1.060001      4.029894
  C      -4.821265     -0.046869      4.421620
  C      -6.213539      0.121829      3.778286
  C      -6.142824      0.329839      2.288678
  N      -6.215322      1.581372      1.847078
  C      -6.117629      1.785371      0.506177
  N      -5.949410      0.878194     -0.436517
  C      -5.867302     -0.419970     -0.009637
  C      -5.681394     -1.451792     -0.964464
  C      -5.591012     -2.767047     -0.556004
  C      -5.686459     -3.104208      0.816077
  C      -5.871247     -2.119548      1.766153
  C      -5.964343     -0.758673      1.378043
  C      -3.582041      6.214684      6.203407
  C      -3.729522      7.571612      5.485361
  C      -4.278371      7.397132      4.072551
  C      -5.734694      7.035462      3.978950
  N      -6.518306      7.284567      5.021434
  C      -7.843236      7.016976      4.890338
  N      -8.470832      6.529843      3.840746
  C      -7.683312      6.218933      2.767104
  C      -8.275140      5.626935      1.623220
  C      -7.494361      5.286669      0.537830
  C      -6.102404      5.535924      0.548323
  C      -5.501066      6.105707      1.651335
  C      -6.274796      6.458714      2.784241
  C      -6.004695      2.948508      6.729370
  C      -6.837738      4.232825      6.866794
  C      -8.343224      3.996507      6.989503
  C      -9.025296      3.506413      5.731621
  N      -8.298910      3.367630      4.631548
  C      -8.932003      2.947526      3.500970
  N     -10.209248      2.647314      3.352019
  C     -10.983799      2.781240      4.471415
  C     -12.367666      2.479913      4.390195
  C     -13.172362      2.617332      5.502270
  C     -12.629188      3.060502      6.734076
  C     -11.282688      3.356065      6.841402
  C     -10.430066      3.220456      5.717626
  H      -3.423175      0.908165      3.009447
  H      -4.488003      1.987403      3.902115
  H      -4.921194     -0.046856      5.516933
  H      -4.393902     -1.020260      4.132986
  H      -6.822794     -0.765419      4.004051
  H      -6.717062      0.997176      4.214156
  H      -6.196164      2.831612      0.191191
  H      -5.612486     -1.169495     -2.016921
  H      -5.446946     -3.558276     -1.295230
  H      -5.615001     -4.149655      1.121450
  H      -5.945164     -2.388316      2.821468
  H      -4.579180      5.790942      6.373568
  H      -3.121386      6.388236      7.200189
  H      -2.745122      8.058424      5.412095
  H      -4.375295      8.227103      6.088030
  H      -4.126329      8.312021      3.474060
  H      -3.684462      6.609473      3.584413
  H      -8.450162      7.230347      5.775837
  H      -9.348659      5.436175      1.639996
  H      -7.952295      4.819213     -0.335087
  H      -5.498105      5.258966     -0.316653
  H      -4.424209      6.266658      1.660106
  H      -6.093444      2.357909      7.664301
  H      -6.456617      2.347786      5.924598
  H      -6.490516      4.807092      7.741224
  H      -6.648982      4.852839      5.979869
  H      -8.566733      3.290571      7.810271
  H      -8.831737      4.943117      7.281396
  H      -8.290723      2.846737      2.624460
  H     -12.763348      2.144860      3.428081
  H     -14.237950      2.386780      5.436670
  H     -13.281346      3.169379      7.601694
  H     -10.873264      3.700166      7.793738
  N      -2.985084      3.621395      3.184169
96
Coordinates from ORCA-job orca E -6203.084227946969
  N      -2.812488      1.371512      4.986446
  Mo     -3.281150      3.390619      4.833485
  N      -4.621266      3.169260      6.366481
  C      -3.715480      3.256613      7.528337
  C      -2.304021      2.612106      7.353183
  N      -1.532106      3.139162      6.165969
  C      -0.602895      2.150109      5.546746
  C      -1.412331      1.108105      4.725100
  C      -0.858898      4.444794      6.465250
  C      -1.374187      5.458600      5.439723
  N      -2.817117      5.279232      5.412934
  H      -1.154862      1.192896      3.649886
  H      -1.142812      0.086228      5.049538
  H       0.046348      2.726043      4.874655
  H       0.030295      1.686312      6.321725
  H      -1.085590      6.485388      5.722927
  H      -0.933372      5.250966      4.447737
  H      -1.171671      4.767022      7.468455
  H       0.234054      4.309203      6.475335
  H      -4.163512      2.703425      8.375529
  H      -3.594519      4.300535      7.877473
  H      -2.434627      1.540340      7.191098
  H      -1.712201      2.784004      8.267263
  C      -3.818475      1.042886      4.026545
  C      -4.788809     -0.078831      4.432943
  C      -6.188297      0.063435      3.802755
  C      -6.141453      0.280779      2.315224
  N      -6.257229      1.532297      1.887610
  C      -6.177402      1.749699      0.549928
  N      -5.989319      0.858517     -0.401757
  C      -5.866284     -0.439477      0.009623
  C      -5.660244     -1.453356     -0.957101
  C      -5.530670     -2.768862     -0.565317
  C      -5.605441     -3.123012      0.801161
  C      -5.808224     -2.154819      1.763631
  C      -5.941248     -0.794385      1.392742
  C      -3.570995      6.222371      6.217474
  C      -3.721998      7.583040      5.496388
  C      -4.269715      7.418776      4.079100
  C      -5.728892      7.066192      3.982104
  N      -6.513218      7.335343      5.021716
  C      -7.840794      7.077415      4.892781
  N      -8.472891      6.589239      3.846950
  C      -7.685638      6.264748      2.773216
  C      -8.284692      5.681818      1.631311
  C      -7.505333      5.322858      0.547824
  C      -6.108181      5.543071      0.560217
  C      -5.499411      6.108960      1.660040
  C      -6.271577      6.483324      2.790061
  C      -6.014300      2.946598      6.671338
  C      -6.852043      4.225629      6.819571
  C      -8.352498      3.978263      6.959153
  C      -9.050123      3.486561      5.712553
  N      -8.338392      3.330917      4.606526
  C      -8.987362      2.916127      3.483737
  N     -10.268399      2.641827      3.348814
  C     -11.028208      2.792977      4.476080
  C     -12.417369      2.523318      4.407878
  C     -13.207932      2.676102      5.527383
  C     -12.644526      3.101649      6.754428
  C     -11.292941      3.368362      6.848833
  C     -10.455986      3.219647      5.715643
  H      -3.425506      0.896252      3.002059
  H      -4.490771      1.961901      3.910189
  H      -4.881579     -0.081192      5.528928
  H      -4.344411     -1.043838      4.140936
  H      -6.777353     -0.835555      4.034634
  H      -6.703555      0.927945      4.243846
  H      -6.286892      2.795272      0.246586
  H      -5.608817     -1.157884     -2.004556
  H      -5.371791     -3.546901     -1.312985
  H      -5.503781     -4.168432      1.093259
  H      -5.867151     -2.437544      2.814022
  H      -4.572268      5.801705      6.390024
  H      -3.113097      6.403953      7.216710
  H      -2.736789      8.072471      5.427953
  H      -4.371131      8.237296      6.099588
  H      -4.116436      8.339041      3.487644
  H      -3.677859      6.632876      3.583870
  H      -8.445751      7.298337      5.779074
  H      -9.362102      5.512141      1.646357
  H      -7.970301      4.861128     -0.324559
  H      -5.505610      5.249169     -0.302167
  H      -4.419639      6.249728      1.669402
  H      -6.099772      2.348428      7.603501
  H      -6.460599      2.349788      5.862181
  H      -6.503832      4.799111      7.693413
  H      -6.675294      4.853046      5.934451
  H      -8.563815      3.272287      7.782100
  H      -8.842093      4.920896      7.256153
  H      -8.353053      2.795021      2.603678
  H     -12.829257      2.200077      3.450701
  H     -14.278274      2.469921      5.470991
  H     -13.286472      3.220907      7.628442
  H     -10.867270      3.700500      7.796332
  N      -3.068060      3.644887      3.186308
96
Coordinates from ORCA-job orca E -6203.086501125833
  N      -2.801207      1.382517      4.946496
  Mo     -3.278639      3.402333      4.834501
  N      -4.629897      3.178803      6.317986
  C      -3.729273      3.250557      7.491151
  C      -2.311076      2.609959      7.329293
  N      -1.516620      3.137009      6.155904
  C      -0.595409      2.142774      5.533140
  C      -1.403704      1.121305      4.683434
  C      -0.841580      4.439230      6.464673
  C      -1.363762      5.463929      5.452630
  N      -2.806449      5.298561      5.428731
  H      -1.138061      1.233359      3.612106
  H      -1.135154      0.091351      4.983279
  H       0.069193      2.721071      4.878419
  H       0.023883      1.659935      6.307721
  H      -1.065117      6.487551      5.739091
  H      -0.928116      5.259870      4.456592
  H      -1.145309      4.750025      7.474485
  H       0.251228      4.300743      6.465129
  H      -4.185017      2.686740      8.325945
  H      -3.612044      4.290185      7.849333
  H      -2.432725      1.537287      7.166648
  H      -1.738486      2.786605      8.254775
  C      -3.823165      1.046018      4.000253
  C      -4.765914     -0.093101      4.417917
  C      -6.171495      0.017827      3.795318
  C      -6.144125      0.224494      2.305680
  N      -6.304430      1.469888      1.872246
  C      -6.234911      1.683743      0.532341
  N      -6.019622      0.794214     -0.416432
  C      -5.856565     -0.498491      0.000974
  C      -5.623047     -1.510490     -0.962844
  C      -5.455504     -2.821095     -0.565209
  C      -5.518445     -3.171607      0.803507
  C      -5.745566     -2.204590      1.763482
  C      -5.917185     -0.849302      1.386752
  C      -3.556183      6.233754      6.243477
  C      -3.709080      7.596226      5.528903
  C      -4.268285      7.432388      4.115835
  C      -5.731530      7.085923      4.033727
  N      -6.505853      7.382473      5.072506
  C      -7.835658      7.124291      4.959692
  N      -8.479098      6.615756      3.930915
  C      -7.701847      6.269757      2.856660
  C      -8.314471      5.673013      1.730378
  C      -7.548085      5.294113      0.646042
  C      -6.150339      5.503691      0.643736
  C      -5.527325      6.082816      1.729178
  C      -6.286738      6.481640      2.858128
  C      -6.027802      2.968756      6.610776
  C      -6.856238      4.250491      6.769712
  C      -8.354773      4.004122      6.914132
  C      -9.058697      3.514851      5.672703
  N      -8.351950      3.345018      4.566762
  C      -9.007431      2.928847      3.449451
  N     -10.291758      2.669339      3.322102
  C     -11.047144      2.835317      4.450747
  C     -12.439088      2.580369      4.389671
  C     -13.223265      2.743072      5.512268
  C     -12.650415      3.163120      6.735073
  C     -11.296451      3.417278      6.821851
  C     -10.466543      3.259912      5.684733
  H      -3.440984      0.910125      2.970337
  H      -4.503561      1.955594      3.899513
  H      -4.854965     -0.094967      5.514125
  H      -4.301865     -1.049355      4.127279
  H      -6.741977     -0.889821      4.043031
  H      -6.698350      0.878003      4.230912
  H      -6.377182      2.724907      0.224162
  H      -5.582206     -1.217972     -2.012672
  H      -5.275892     -3.598431     -1.310275
  H      -5.387773     -4.213567      1.099643
  H      -5.795627     -2.484978      2.816012
  H      -4.558278      5.817976      6.418570
  H      -3.097687      6.413304      7.242586
  H      -2.723546      8.084881      5.457372
  H      -4.354505      8.249500      6.136141
  H      -4.118146      8.353151      3.524152
  H      -3.683707      6.645381      3.614742
  H      -8.433516      7.368083      5.844561
  H      -9.392421      5.511083      1.757315
  H      -8.024195      4.823315     -0.215844
  H      -5.557955      5.192004     -0.217925
  H      -4.446827      6.215181      1.727067
  H      -6.122569      2.360912      7.533909
  H      -6.471090      2.386056      5.791243
  H      -6.506879      4.815663      7.646994
  H      -6.678428      4.884010      5.891222
  H      -8.560571      3.296403      7.735595
  H      -8.845527      4.944325      7.217301
  H      -8.373676      2.788396      2.570049
  H     -12.858989      2.259002      3.436352
  H     -14.295768      2.547873      5.460730
  H     -13.287189      3.288491      7.612082
  H     -10.862810      3.744899      7.766223
  N      -3.157277      3.690248      3.186340
96
Coordinates from ORCA-job orca E -6203.088419657844
  N      -2.797109      1.376718      4.914189
  Mo     -3.287622      3.398188      4.841473
  N      -4.639555      3.181975      6.297496
  C      -3.743881      3.237075      7.479646
  C      -2.321791      2.600572      7.318929
  N      -1.513529      3.126676      6.153995
  C      -0.598684      2.126968      5.530740
  C      -1.400968      1.122736      4.653935
  C      -0.838798      4.427735      6.467245
  C      -1.367507      5.459094      5.465781
  N      -2.808736      5.309332      5.439545
  H      -1.124481      1.260524      3.587605
  H      -1.129421      0.086555      4.931252
  H       0.082307      2.705542      4.893429
  H       0.005313      1.628137      6.307249
  H      -1.057516      6.479295      5.754463
  H      -0.934910      5.256626      4.466731
  H      -1.135285      4.729349      7.482211
  H       0.253886      4.288686      6.459054
  H      -4.204104      2.661042      8.303139
  H      -3.627822      4.272262      7.848374
  H      -2.434682      1.526309      7.158247
  H      -1.760535      2.783068      8.250509
  C      -3.831074      1.024819      3.980840
  C      -4.740303     -0.135093      4.411062
  C      -6.152255     -0.054158      3.797895
  C      -6.140448      0.162513      2.310237
  N      -6.335699      1.407652      1.890548
  C      -6.269227      1.639036      0.552525
  N      -6.029182      0.766600     -0.406123
  C      -5.836658     -0.526182     -0.002317
  C      -5.580034     -1.521103     -0.977333
  C      -5.383867     -2.831782     -0.593720
  C      -5.439656     -3.199071      0.771076
  C      -5.687093     -2.248831      1.741942
  C      -5.888735     -0.894117      1.379592
  C      -3.561965      6.239523      6.253948
  C      -3.716570      7.606631      5.546942
  C      -4.273031      7.456434      4.131780
  C      -5.738529      7.113832      4.044496
  N      -6.516773      7.425803      5.075063
  C      -7.846009      7.164192      4.959642
  N      -8.484937      6.643423      3.934530
  C      -7.704083      6.291607      2.864805
  C      -8.314548      5.695613      1.736959
  C      -7.545987      5.310626      0.657043
  C      -6.148048      5.508613      0.662930
  C      -5.527451      6.089552      1.750125
  C      -6.289786      6.499625      2.872200
  C      -6.043154      2.988409      6.574796
  C      -6.856982      4.279021      6.736987
  C      -8.354182      4.036729      6.895339
  C      -9.070701      3.534601      5.666017
  N      -8.373774      3.335636      4.559630
  C      -9.039103      2.896807      3.455681
  N     -10.326399      2.645824      3.343880
  C     -11.073589      2.845413      4.473333
  C     -12.467284      2.600697      4.426932
  C     -13.240859      2.792864      5.552430
  C     -12.655186      3.232966      6.762963
  C     -11.299531      3.478743      6.834700
  C     -10.480712      3.291999      5.694140
  H      -3.458679      0.900327      2.945617
  H      -4.524398      1.920287      3.894392
  H      -4.824606     -0.136058      5.507460
  H      -4.255668     -1.081145      4.120896
  H      -6.704295     -0.971770      4.051004
  H      -6.690517      0.796631      4.237520
  H      -6.433275      2.679958      0.255241
  H      -5.545770     -1.216139     -2.024253
  H      -5.187111     -3.596578     -1.347104
  H      -5.287043     -4.241387      1.055144
  H      -5.732301     -2.542135      2.791562
  H      -4.565614      5.826163      6.426553
  H      -3.110227      6.417804      7.256224
  H      -2.730672      8.095921      5.483679
  H      -4.365824      8.255134      6.155156
  H      -4.122100      8.385018      3.552292
  H      -3.689007      6.675388      3.621366
  H      -8.449081      7.419614      5.837484
  H      -9.392784      5.540578      1.759512
  H      -8.019958      4.841096     -0.207203
  H      -5.552884      5.187653     -0.193321
  H      -4.446617      6.213113      1.753386
  H      -6.153763      2.373859      7.491138
  H      -6.483711      2.419455      5.743418
  H      -6.501242      4.842375      7.614126
  H      -6.678718      4.912506      5.858196
  H      -8.548902      3.333711      7.725495
  H      -8.845427      4.976721      7.199190
  H      -8.409338      2.727370      2.577467
  H     -12.898090      2.261775      3.483102
  H     -14.314689      2.605096      5.511469
  H     -13.283071      3.380264      7.642670
  H     -10.855349      3.821133      7.770336
  N      -3.241728      3.711552      3.195478
96
Coordinates from ORCA-job orca E -6203.090105739880
  N      -2.790635      1.387861      4.872994
  Mo     -3.292605      3.403252      4.841196
  N      -4.641127      3.187322      6.285481
  C      -3.747485      3.223122      7.469953
  C      -2.323224      2.593941      7.300094
  N      -1.508287      3.125723      6.142501
  C      -0.597030      2.124307      5.516414
  C      -1.395020      1.141206      4.610969
  C      -0.832939      4.424116      6.463592
  C      -1.368546      5.462112      5.472623
  N      -2.808767      5.321493      5.445323
  H      -1.114014      1.304905      3.548745
  H      -1.119292      0.098669      4.862528
  H       0.100891      2.702723      4.897621
  H      -0.009116      1.607464      6.293234
  H      -1.048884      6.479204      5.763652
  H      -0.939478      5.263270      4.470520
  H      -1.121791      4.715106      7.484021
  H       0.260443      4.289058      6.444495
  H      -4.207903      2.631654      8.281809
  H      -3.636284      4.253260      7.852566
  H      -2.428995      1.519410      7.136264
  H      -1.769550      2.775928      8.236411
  C      -3.834668      1.017467      3.952254
  C      -4.704808     -0.167744      4.392235
  C      -6.125150     -0.123348      3.793030
  C      -6.132018      0.094651      2.305803
  N      -6.374591      1.332713      1.890918
  C      -6.326005      1.569560      0.553606
  N      -6.064472      0.707580     -0.409008
  C      -5.826942     -0.578387     -0.009100
  C      -5.549422     -1.563751     -0.987694
  C      -5.309339     -2.867733     -0.608458
  C      -5.340295     -3.238484      0.755416
  C      -5.606997     -2.298334      1.729338
  C      -5.853824     -0.950068      1.371208
  C      -3.559631      6.245252      6.262858
  C      -3.714961      7.614650      5.567961
  C      -4.282852      7.469160      4.158252
  C      -5.752033      7.135610      4.089389
  N      -6.518700      7.480226      5.117181
  C      -7.852203      7.225768      5.019752
  N      -8.505102      6.685054      4.013248
  C      -7.736423      6.303982      2.944810
  C      -8.362799      5.689427      1.833865
  C      -7.605987      5.271388      0.757528
  C      -6.203855      5.451176      0.750965
  C      -5.568989      6.050889      1.820914
  C      -6.319029      6.497273      2.937718
  C      -6.050293      3.002559      6.541491
  C      -6.851223      4.301168      6.704722
  C      -8.351442      4.070351      6.863991
  C      -9.070602      3.570595      5.636462
  N      -8.370355      3.355141      4.535197
  C      -9.035392      2.914887      3.434007
  N     -10.326735      2.681031      3.320274
  C     -11.078241      2.900170      4.444184
  C     -12.474293      2.671905      4.396157
  C     -13.249898      2.879097      5.518644
  C     -12.664279      3.319823      6.726690
  C     -11.306518      3.551777      6.799008
  C     -10.485070      3.347910      5.662545
  H      -3.472767      0.904239      2.911639
  H      -4.540160      1.896066      3.881450
  H      -4.779916     -0.166707      5.488979
  H      -4.199860     -1.102482      4.102084
  H      -6.655434     -1.051756      4.052809
  H      -6.676850      0.716653      4.237087
  H      -6.526906      2.604463      0.260173
  H      -5.535667     -1.257063     -2.033704
  H      -5.097097     -3.624814     -1.364812
  H      -5.153425     -4.276050      1.035372
  H      -5.633698     -2.593703      2.778060
  H      -4.562000      5.833293      6.435991
  H      -3.105561      6.415612      7.264380
  H      -2.729148      8.101812      5.501380
  H      -4.359297      8.260156      6.181891
  H      -4.132070      8.399498      3.581452
  H      -3.709317      6.686749      3.640608
  H      -8.444222      7.501007      5.898276
  H      -9.444260      5.547648      1.868037
  H      -8.090947      4.788818     -0.093857
  H      -5.616673      5.101372     -0.100598
  H      -4.484851      6.158435      1.814399
  H      -6.178879      2.381692      7.448392
  H      -6.484608      2.448914      5.696363
  H      -6.489535      4.857456      7.583224
  H      -6.667777      4.935386      5.829238
  H      -8.545272      3.368104      7.694383
  H      -8.839242      5.011871      7.170472
  H      -8.402549      2.729720      2.560114
  H     -12.905089      2.331759      3.454172
  H     -14.325408      2.702339      5.476410
  H     -13.292515      3.478828      7.604606
  H     -10.862534      3.893902      7.733674
  N      -3.322687      3.736506      3.200938
96
Coordinates from ORCA-job orca E -6203.091797795492
  N      -2.799482      1.401771      4.830878
  Mo     -3.306639      3.411569      4.844415
  N      -4.644058      3.198565      6.289141
  C      -3.757051      3.212195      7.475422
  C      -2.332961      2.584072      7.291749
  N      -1.514457      3.121029      6.139632
  C      -0.608187      2.114881      5.511776
  C      -1.403033      1.156299      4.575787
  C      -0.835488      4.415589      6.468889
  C      -1.370748      5.462637      5.486935
  N      -2.810848      5.335994      5.452419
  H      -1.111543      1.343549      3.519626
  H      -1.128282      0.107112      4.803187
  H       0.111457      2.689516      4.913986
  H      -0.041710      1.576685      6.290208
  H      -1.039130      6.474972      5.783350
  H      -0.940711      5.267837      4.483877
  H      -1.119156      4.697345      7.493347
  H       0.258978      4.282384      6.442300
  H      -4.219764      2.604543      8.274547
  H      -3.647817      4.237260      7.873564
  H      -2.437953      1.509386      7.123835
  H      -1.780561      2.760798      8.230018
  C      -3.848776      1.012340      3.916081
  C      -4.684234     -0.197413      4.359738
  C      -6.109940     -0.181746      3.764873
  C      -6.123443      0.039040      2.276575
  N      -6.395926      1.272901      1.861956
  C      -6.345519      1.515712      0.524360
  N      -6.057709      0.662137     -0.440051
  C      -5.793042     -0.620296     -0.040819
  C      -5.488590     -1.598799     -1.020595
  C      -5.221174     -2.898720     -0.641187
  C      -5.249823     -3.273181      0.723998
  C      -5.541651     -2.340225      1.698712
  C      -5.817302     -0.995864      1.340160
  C      -3.559973      6.257059      6.271677
  C      -3.715784      7.628918      5.583146
  C      -4.291214      7.486641      4.175535
  C      -5.761139      7.155446      4.112524
  N      -6.526976      7.519997      5.133395
  C      -7.859747      7.260393      5.042551
  N      -8.513300      6.700613      4.045618
  C      -7.747458      6.305904      2.982109
  C      -8.376404      5.678659      1.878459
  C      -7.621550      5.245469      0.808199
  C      -6.218802      5.420974      0.801370
  C      -5.582855      6.034717      1.862742
  C      -6.330262      6.498239      2.972677
  C      -6.058737      3.023860      6.523743
  C      -6.848233      4.330062      6.686591
  C      -8.351455      4.111007      6.854679
  C      -9.082452      3.596548      5.638505
  N      -8.387112      3.336902      4.543540
  C      -9.060198      2.868894      3.457318
  N     -10.355509      2.648589      3.351511
  C     -11.102946      2.917557      4.467114
  C     -12.502079      2.705788      4.427555
  C     -13.272793      2.957667      5.544680
  C     -12.679363      3.428977      6.738460
  C     -11.318140      3.646913      6.801739
  C     -10.501149      3.396727      5.671339
  H      -3.492434      0.911564      2.871453
  H      -4.566765      1.872901      3.861220
  H      -4.758025     -0.195070      5.457481
  H      -4.159087     -1.122298      4.071994
  H      -6.623735     -1.118979      4.026615
  H      -6.675371      0.649368      4.211345
  H      -6.568267      2.547507      0.231082
  H      -5.477039     -1.290149     -2.067672
  H      -4.988698     -3.649983     -1.398900
  H      -5.041421     -4.307833      1.003258
  H      -5.567267     -2.637083      2.748655
  H      -4.562432      5.845109      6.446161
  H      -3.105017      6.421075      7.274688
  H      -2.729210      8.114328      5.513533
  H      -4.356711      8.274170      6.201074
  H      -4.142579      8.419644      3.602520
  H      -3.721225      6.706009      3.652757
  H      -8.450766      7.549198      5.916490
  H      -9.458126      5.539661      1.914850
  H      -8.107115      4.754003     -0.037377
  H      -5.632558      5.057501     -0.043526
  H      -4.499160      6.138683      1.854649
  H      -6.203797      2.396980      7.423928
  H      -6.487793      2.483426      5.666388
  H      -6.477905      4.883312      7.564163
  H      -6.662103      4.961904      5.809595
  H      -8.540430      3.417355      7.694437
  H      -8.832218      5.057298      7.156532
  H      -8.431263      2.642155      2.592205
  H     -12.938628      2.340804      3.496752
  H     -14.350496      2.791920      5.509240
  H     -13.302663      3.622634      7.612948
  H     -10.868684      4.011922      7.726021
  N      -3.390410      3.761791      3.209422
96
Coordinates from ORCA-job orca E -6203.093481673994
  N      -2.799993      1.413334      4.798870
  Mo     -3.310722      3.411945      4.844085
  N      -4.640760      3.202294      6.292825
  C      -3.760955      3.202105      7.478826
  C      -2.336612      2.574586      7.286612
  N      -1.515284      3.115091      6.138878
  C      -0.610798      2.103393      5.514823
  C      -1.401686      1.165457      4.553748
  C      -0.835335      4.407244      6.473835
  C      -1.366128      5.458130      5.492771
  N      -2.806758      5.338094      5.448947
  H      -1.100884      1.368487      3.502791
  H      -1.130134      0.111579      4.763808
  H       0.130403      2.671088      4.936922
  H      -0.068044      1.547618      6.297836
  H      -1.028747      6.467967      5.790755
  H      -0.930317      5.264629      4.491958
  H      -1.118957      4.684719      7.499414
  H       0.259794      4.277768      6.444805
  H      -4.224683      2.582925      8.269356
  H      -3.655501      4.223868      7.887757
  H      -2.443134      1.500263      7.115364
  H      -1.785266      2.745287      8.226600
  C      -3.848320      0.996846      3.887064
  C      -4.645856     -0.237210      4.334520
  C      -6.076742     -0.255426      3.749574
  C      -6.104114     -0.020359      2.263962
  N      -6.417697      1.207118      1.861784
  C      -6.379323      1.462804      0.527616
  N      -6.068206      0.628067     -0.445219
  C      -5.762281     -0.647811     -0.059223
  C      -5.432321     -1.607746     -1.047960
  C      -5.122887     -2.900672     -0.681629
  C      -5.132892     -3.287396      0.679747
  C      -5.449083     -2.373030      1.662802
  C      -5.768478     -1.035699      1.317423
  C      -3.554931      6.260018      6.267071
  C      -3.717644      7.633619      5.583974
  C      -4.310358      7.495019      4.181757
  C      -5.781265      7.168637      4.138710
  N      -6.535242      7.557188      5.160532
  C      -7.868825      7.299440      5.091463
  N      -8.535743      6.723071      4.112468
  C      -7.784486      6.306060      3.047658
  C      -8.428844      5.660906      1.963064
  C      -7.687812      5.201323      0.894060
  C      -6.283529      5.368240      0.869209
  C      -5.633422      6.000685      1.909618
  C      -6.365958      6.491287      3.018529
  C      -6.060627      3.033480      6.506143
  C      -6.842684      4.347588      6.655556
  C      -8.349067      4.147911      6.830683
  C      -9.091334      3.617685      5.626573
  N      -8.400438      3.306427      4.541440
  C      -9.082679      2.818393      3.468688
  N     -10.382822      2.625002      3.364899
  C     -11.125521      2.949755      4.468477
  C     -12.529375      2.770387      4.431315
  C     -13.296168      3.078672      5.536953
  C     -12.694323      3.577417      6.716563
  C     -11.327956      3.764463      6.777280
  C     -10.514510      3.455280      5.659281
  H      -3.493095      0.903124      2.841044
  H      -4.581882      1.838394      3.840638
  H      -4.714096     -0.234212      5.432986
  H      -4.100822     -1.150055      4.046454
  H      -6.566486     -1.206454      4.004604
  H      -6.659246      0.556768      4.207808
  H      -6.634858      2.489046      0.244204
  H      -5.435577     -1.290482     -2.091553
  H      -4.871172     -3.636934     -1.446800
  H      -4.891043     -4.316597      0.948447
  H      -5.460847     -2.678083      2.709595
  H      -4.555665      5.844348      6.445298
  H      -3.095206      6.420494      7.269026
  H      -2.732099      8.119686      5.503567
  H      -4.351741      8.277209      6.211078
  H      -4.166585      8.429880      3.610374
  H      -3.748923      6.714157      3.650409
  H      -8.448252      7.605756      5.967140
  H      -9.510652      5.528123      2.014513
  H      -8.184748      4.695443      0.064174
  H      -5.707487      4.982172      0.026913
  H      -4.549352      6.096151      1.887533
  H      -6.220651      2.408287      7.406299
  H      -6.481031      2.495805      5.642343
  H      -6.463314      4.906855      7.526878
  H      -6.654242      4.969021      5.769668
  H      -8.542245      3.470577      7.683969
  H      -8.814630      5.105706      7.117924
  H      -8.458683      2.550933      2.612197
  H     -12.971751      2.383871      3.511004
  H     -14.377395      2.937377      5.503797
  H     -13.313802      3.816822      7.582285
  H     -10.872737      4.151492      7.690830
  N      -3.446723      3.765231      3.214788
96
Coordinates from ORCA-job orca E -6203.095212585420
  N      -2.818341      1.439963      4.766478
  Mo     -3.326014      3.425414      4.847666
  N      -4.643273      3.211181      6.304469
  C      -3.768314      3.193755      7.487407
  C      -2.345314      2.565513      7.282634
  N      -1.525930      3.113389      6.139571
  C      -0.626743      2.096923      5.514078
  C      -1.419149      1.182736      4.531078
  C      -0.842602      4.400735      6.483390
  C      -1.364770      5.458217      5.504323
  N      -2.807582      5.346799      5.450234
  H      -1.110501      1.399052      3.485378
  H      -1.156961      0.123892      4.724550
  H       0.134140      2.657226      4.955589
  H      -0.107877      1.521463      6.298324
  H      -1.023250      6.465441      5.806008
  H      -0.921337      5.266700      4.506447
  H      -1.126740      4.674076      7.509840
  H       0.252457      4.271538      6.453806
  H      -4.230334      2.561428      8.268851
  H      -3.663904      4.209953      7.912024
  H      -2.458394      1.493375      7.101870
  H      -1.789077      2.722401      8.222332
  C      -3.862771      0.997595      3.854987
  C      -4.624022     -0.259468      4.301893
  C      -6.057611     -0.311537      3.724902
  C      -6.099881     -0.071581      2.240057
  N      -6.458926      1.145207      1.841426
  C      -6.433246      1.405018      0.508580
  N      -6.094207      0.584535     -0.467542
  C      -5.741606     -0.681234     -0.086760
  C      -5.379112     -1.626759     -1.079059
  C      -5.022079     -2.909024     -0.716969
  C      -5.014876     -3.299832      0.643843
  C      -5.362149     -2.399215      1.630292
  C      -5.730641     -1.072738      1.289357
  C      -3.549823      6.277310      6.267665
  C      -3.701325      7.649656      5.579553
  C      -4.299999      7.506413      4.179150
  C      -5.772275      7.191340      4.143116
  N      -6.521440      7.606294      5.160146
  C      -7.855623      7.357171      5.101652
  N      -8.530175      6.767708      4.134750
  C      -7.786584      6.325114      3.075300
  C      -8.439889      5.665009      2.005508
  C      -7.705962      5.175334      0.945066
  C      -6.299648      5.327716      0.913773
  C      -5.640626      5.975620      1.937372
  C      -6.365416      6.496646      3.038299
  C      -6.065565      3.037760      6.503833
  C      -6.851582      4.348247      6.650545
  C      -8.358823      4.156797      6.832513
  C      -9.111298      3.616740      5.640347
  N      -8.425446      3.265867      4.563347
  C      -9.116919      2.767294      3.502552
  N     -10.420742      2.597407      3.400967
  C     -11.157549      2.963976      4.494885
  C     -12.565976      2.814355      4.459815
  C     -13.329039      3.164975      5.555104
  C     -12.718885      3.678519      6.722554
  C     -11.347591      3.837313      6.781204
  C     -10.537811      3.484651      5.673674
  H      -3.506865      0.911987      2.808888
  H      -4.612999      1.820147      3.817045
  H      -4.688836     -0.258898      5.400931
  H      -4.058239     -1.159121      4.012329
  H      -6.521038     -1.276923      3.976512
  H      -6.658682      0.482329      4.191612
  H      -6.726849      2.422707      0.228327
  H      -5.395924     -1.307053     -2.122162
  H      -4.745476     -3.633679     -1.485418
  H      -4.735188     -4.320664      0.909132
  H      -5.360747     -2.706196      2.676945
  H      -4.552939      5.867262      6.446929
  H      -3.088220      6.435092      7.269863
  H      -2.712441      8.126975      5.491767
  H      -4.326715      8.303262      6.205621
  H      -4.152659      8.436750      3.601781
  H      -3.744337      6.717926      3.652649
  H      -8.428418      7.680706      5.976054
  H      -9.522679      5.543702      2.061772
  H      -8.210739      4.656765      0.127954
  H      -5.729143      4.916600      0.079668
  H      -4.555455      6.057991      1.911293
  H      -6.229718      2.408828      7.401221
  H      -6.478246      2.501977      5.636653
  H      -6.467174      4.910306      7.517017
  H      -6.667963      4.964976      5.760325
  H      -8.553735      3.490129      7.692558
  H      -8.812202      5.122611      7.109593
  H      -8.498580      2.467467      2.652263
  H     -13.013725      2.416151      3.548604
  H     -14.413891      3.046466      5.524078
  H     -13.335143      3.952203      7.580546
  H     -10.886813      4.237095      7.684905
  N      -3.512573      3.781979      3.222148
96
Coordinates from ORCA-job orca E -6203.097002304881
  N      -2.827740      1.458917      4.743782
  Mo     -3.330867      3.433073      4.850900
  N      -4.642843      3.219738      6.303599
  C      -3.776220      3.191232      7.489199
  C      -2.354221      2.557430      7.285535
  N      -1.529470      3.105632      6.147340
  C      -0.635727      2.080639      5.527009
  C      -1.427824      1.186266      4.526168
  C      -0.843312      4.389077      6.496494
  C      -1.351600      5.450831      5.513626
  N      -2.796137      5.348124      5.445253
  H      -1.105365      1.409315      3.486035
  H      -1.180615      0.122792      4.710785
  H       0.145603      2.630663      4.987176
  H      -0.143330      1.488862      6.316208
  H      -1.008851      6.456632      5.817308
  H      -0.897209      5.258329      4.520884
  H      -1.132795      4.663232      7.521168
  H       0.251382      4.255945      6.473119
  H      -4.241476      2.553465      8.264715
  H      -3.669998      4.203614      7.922572
  H      -2.475655      1.487017      7.099425
  H      -1.798035      2.703764      8.226806
  C      -3.863804      0.990291      3.829108
  C      -4.591237     -0.286586      4.275123
  C      -6.024013     -0.375656      3.702172
  C      -6.084360     -0.125589      2.220113
  N      -6.496619      1.077445      1.832689
  C      -6.491686      1.345805      0.502426
  N      -6.125340      0.547524     -0.481349
  C      -5.717388     -0.704616     -0.113330
  C      -5.323006     -1.626513     -1.114839
  C      -4.910596     -2.895153     -0.765460
  C      -4.878079     -3.295352      0.591485
  C      -5.255880     -2.417162      1.587052
  C      -5.680781     -1.105047      1.259519
  C      -3.536473      6.287934      6.257876
  C      -3.690018      7.656718      5.561827
  C      -4.309563      7.506124      4.169742
  C      -5.782746      7.194812      4.160756
  N      -6.513953      7.631690      5.183326
  C      -7.847982      7.384849      5.153983
  N      -8.540927      6.777863      4.211017
  C      -7.817377      6.313665      3.146648
  C      -8.490540      5.634446      2.102790
  C      -7.777186      5.121273      1.039472
  C      -6.372193      5.270466      0.978680
  C      -5.692843      5.937001      1.975478
  C      -6.396179      6.481211      3.079745
  C      -6.068694      3.050211      6.490093
  C      -6.852474      4.363865      6.620616
  C      -8.359338      4.187839      6.811831
  C      -9.122710      3.629525      5.635319
  N      -8.444637      3.225492      4.571802
  C      -9.146617      2.710595      3.525180
  N     -10.453507      2.569823      3.424660
  C     -11.181616      2.991711      4.503813
  C     -12.593939      2.879899      4.467421
  C     -13.350640      3.289478      5.545709
  C     -12.729772      3.826183      6.697758
  C     -11.354484      3.947919      6.758091
  C     -10.551387      3.535456      5.667010
  H      -3.501290      0.909776      2.785065
  H      -4.632094      1.794300      3.793121
  H      -4.656018     -0.289448      5.374475
  H      -4.002702     -1.171416      3.984640
  H      -6.455410     -1.357692      3.946608
  H      -6.647001      0.394311      4.178762
  H      -6.831580      2.351348      0.231444
  H      -5.360312     -1.300203     -2.154750
  H      -4.609558     -3.601718     -1.541104
  H      -4.554752     -4.305378      0.846910
  H      -5.235068     -2.731205      2.630871
  H      -4.540711      5.880012      6.442026
  H      -3.072133      6.450570      7.258012
  H      -2.700980      8.131103      5.456884
  H      -4.305279      8.317080      6.192183
  H      -4.169928      8.432787      3.584526
  H      -3.762477      6.712846      3.640377
  H      -8.404049      7.726772      6.032902
  H      -9.571975      5.516600      2.180403
  H      -8.299033      4.587285      0.243259
  H      -5.818132      4.840419      0.143175
  H      -4.608390      6.014683      1.929023
  H      -6.240576      2.426306      7.391169
  H      -6.473444      2.508386      5.623740
  H      -6.462362      4.938535      7.476838
  H      -6.671026      4.966497      5.718408
  H      -8.561007      3.541904      7.686644
  H      -8.796653      5.166474      7.067289
  H      -8.535189      2.368101      2.685743
  H     -13.049416      2.463267      3.567851
  H     -14.438442      3.201265      5.513782
  H     -13.341619      4.147254      7.542198
  H     -10.885658      4.367032      7.649019
  N      -3.564147      3.787336      3.231499
96
Coordinates from ORCA-job orca E -6203.098915713745
  N      -2.842311      1.473779      4.727617
  Mo     -3.338496      3.441019      4.857043
  N      -4.647692      3.228676      6.305384
  C      -3.785203      3.191393      7.493666
  C      -2.366123      2.549829      7.292174
  N      -1.535749      3.095345      6.157499
  C      -0.649720      2.061080      5.542186
  C      -1.442730      1.183930      4.528329
  C      -0.844956      4.374486      6.510066
  C      -1.337588      5.439371      5.522571
  N      -2.783741      5.348006      5.440125
  H      -1.106362      1.410131      3.493329
  H      -1.213111      0.116210      4.707533
  H       0.149324      2.600519      5.018409
  H      -0.181599      1.455991      6.336008
  H      -0.994147      6.444290      5.827393
  H      -0.873292      5.243685      4.534879
  H      -1.140453      4.652255      7.532113
  H       0.248457      4.232336      6.495642
  H      -4.253325      2.552395      8.266414
  H      -3.672591      4.199968      7.933758
  H      -2.497634      1.481406      7.100907
  H      -1.808412      2.685676      8.233954
  C      -3.868046      0.981797      3.810087
  C      -4.564095     -0.312326      4.254523
  C      -5.993209     -0.435606      3.683293
  C      -6.071017     -0.174768      2.204773
  N      -6.532697      1.013914      1.830984
  C      -6.547455      1.293691      0.503135
  N      -6.154922      0.520958     -0.489482
  C      -5.694987     -0.716922     -0.136048
  C      -5.269647     -1.611059     -1.148490
  C      -4.805276     -2.865621     -0.814263
  C      -4.750345     -3.278069      0.537510
  C      -5.157507     -2.426089      1.543997
  C      -5.634990     -1.129263      1.232566
  C      -3.522144      6.301578      6.242920
  C      -3.674608      7.663239      5.531626
  C      -4.312624      7.502403      4.148463
  C      -5.788199      7.198181      4.164933
  N      -6.500877      7.658341      5.191404
  C      -7.835367      7.418870      5.188661
  N      -8.546923      6.797670      4.269709
  C      -7.842746      6.309629      3.202048
  C      -8.535453      5.613436      2.184018
  C      -7.842704      5.074922      1.119312
  C      -6.439772      5.216412      1.030580
  C      -5.740084      5.899800      2.001532
  C      -6.422082      6.468633      3.107414
  C      -6.074896      3.060423      6.486715
  C      -6.856415      4.375856      6.600531
  C      -8.361705      4.211420      6.800477
  C      -9.132420      3.637306      5.638076
  N      -8.460770      3.190209      4.588143
  C      -9.170162      2.662512      3.553320
  N     -10.478794      2.546511      3.452680
  C     -11.200027      3.013495      4.517642
  C     -12.614558      2.933797      4.477477
  C     -13.365892      3.392302      5.538967
  C     -12.736596      3.946983      6.677923
  C     -11.359441      4.036887      6.742319
  C     -10.562243      3.574968      5.667153
  H      -3.497690      0.906317      2.768768
  H      -4.655409      1.766400      3.772156
  H      -4.630428     -0.320053      5.353563
  H      -3.953557     -1.181838      3.962648
  H      -6.392827     -1.433351      3.920204
  H      -6.636893      0.310794      4.168846
  H      -6.930377      2.286557      0.243478
  H      -5.325276     -1.275760     -2.184447
  H      -4.480262     -3.551504     -1.597985
  H      -4.386161     -4.276831      0.781133
  H      -5.119024     -2.750164      2.584027
  H      -4.528841      5.900497      6.433126
  H      -3.056115      6.473667      7.239527
  H      -2.683967      8.131098      5.410385
  H      -4.279799      8.334407      6.160743
  H      -4.177989      8.422886      3.552287
  H      -3.775159      6.701785      3.619531
  H      -8.375579      7.782298      6.069589
  H      -9.615423      5.502041      2.281502
  H      -8.381672      4.527020      0.343980
  H      -5.902489      4.766114      0.194581
  H      -4.656714      5.970241      1.936691
  H      -6.250788      2.444081      7.392409
  H      -6.474125      2.508622      5.624710
  H      -6.462771      4.964628      7.445160
  H      -6.677652      4.963095      5.687165
  H      -8.569030      3.584865      7.687979
  H      -8.788298      5.199962      7.035111
  H      -8.563662      2.285534      2.724215
  H     -13.076534      2.502752      3.587857
  H     -14.455312      3.330427      5.504033
  H     -13.345364      4.307281      7.508441
  H     -10.883711      4.470929      7.622243
  N      -3.623252      3.792226      3.246164
96
Coordinates from ORCA-job orca E -6203.100963300260
  N      -2.858840      1.482594      4.720996
  Mo     -3.346853      3.449002      4.868347
  N      -4.656753      3.238593      6.307015
  C      -3.797033      3.193959      7.501297
  C      -2.383014      2.542220      7.306995
  N      -1.544258      3.081220      6.175668
  C      -0.667449      2.036693      5.567350
  C      -1.460627      1.174041      4.543370
  C      -0.847206      4.355921      6.529175
  C      -1.320273      5.421663      5.533833
  N      -2.767326      5.345663      5.434483
  H      -1.107972      1.400071      3.513722
  H      -1.251812      0.102348      4.720831
  H       0.147933      2.565139      5.058113
  H      -0.222405      1.421273      6.366745
  H      -0.976344      6.426344      5.838253
  H      -0.845954      5.218874      4.551957
  H      -1.150841      4.641769      7.546812
  H       0.243751      4.198912      6.528605
  H      -4.271034      2.558730      8.272627
  H      -3.674427      4.198847      7.944982
  H      -2.525252      1.475876      7.111247
  H      -1.825030      2.668535      8.249689
  C      -3.871458      0.971820      3.800199
  C      -4.539630     -0.337350      4.241457
  C      -5.962717     -0.491181      3.668777
  C      -6.057878     -0.218337      2.194390
  N      -6.567875      0.955014      1.837534
  C      -6.604669      1.248989      0.511897
  N      -6.188791      0.504757     -0.491285
  C      -5.677845     -0.718062     -0.154862
  C      -5.224736     -1.580833     -1.180575
  C      -4.709569     -2.820627     -0.864566
  C      -4.630847     -3.247287      0.480573
  C      -5.064345     -2.424867      1.500310
  C      -5.592752     -1.144538      1.208255
  C      -3.505529      6.317831      6.219388
  C      -3.653591      7.667597      5.485203
  C      -4.308130      7.493193      4.112187
  C      -5.787690      7.199466      4.154398
  N      -6.478763      7.681019      5.185432
  C      -7.814566      7.452073      5.209242
  N      -8.546922      6.821091      4.314682
  C      -7.863770      6.311385      3.242107
  C      -8.578170      5.603315      2.248951
  C      -7.908259      5.042642      1.180631
  C      -6.508201      5.174028      1.062809
  C      -5.785972      5.869758      2.010056
  C      -6.444423      6.459422      3.119359
  C      -6.084044      3.071763      6.489513
  C      -6.861999      4.388834      6.585522
  C      -8.364873      4.230677      6.794659
  C      -9.140184      3.642311      5.644440
  N      -8.474174      3.163403      4.605951
  C      -9.188680      2.625580      3.580608
  N     -10.498221      2.528126      3.481346
  C     -11.214126      3.028990      4.534991
  C     -12.629526      2.973444      4.491284
  C     -13.375958      3.469144      5.539156
  C     -12.739636      4.036946      6.667561
  C     -11.362371      4.103021      6.735501
  C     -10.570765      3.603660      5.672698
  H      -3.490963      0.901153      2.762440
  H      -4.678125      1.735949      3.756273
  H      -4.609783     -0.352060      5.339535
  H      -3.908007     -1.191355      3.947758
  H      -6.331370     -1.503539      3.897690
  H      -6.626043      0.232163      4.162303
  H      -7.029722      2.228058      0.266195
  H      -5.300016     -1.234751     -2.211590
  H      -4.362539     -3.483744     -1.657667
  H      -4.226748     -4.233999      0.710168
  H      -5.006193     -2.761454      2.535326
  H      -4.516282      5.928920      6.415335
  H      -3.040429      6.504679      7.211549
  H      -2.659825      8.124846      5.348553
  H      -4.249164      8.353747      6.107051
  H      -4.176080      8.405136      3.502518
  H      -3.782792      6.682773      3.585653
  H      -8.337445      7.835874      6.092345
  H      -9.656656      5.499684      2.367155
  H      -8.465936      4.484680      0.425374
  H      -5.989786      4.706355      0.224200
  H      -4.703867      5.932501      1.926399
  H      -6.262235      2.465576      7.400169
  H      -6.479801      2.507308      5.634615
  H      -6.466656      4.993151      7.417249
  H      -6.686324      4.959644      5.661797
  H      -8.574740      3.621470      7.693344
  H      -8.788400      5.225290      7.010426
  H      -8.585198      2.223255      2.759908
  H     -13.097717      2.531897      3.609967
  H     -14.465959      3.427493      5.501260
  H     -13.346554      4.426592      7.486094
  H     -10.880037      4.547682      7.606327
  N      -3.679237      3.795742      3.265838
96
Coordinates from ORCA-job orca E -6203.103052828727
  N      -2.878191      1.492267      4.712591
  Mo     -3.358229      3.458734      4.879150
  N      -4.667509      3.250095      6.312224
  C      -3.808776      3.197362      7.510409
  C      -2.401031      2.535103      7.319137
  N      -1.554843      3.067893      6.191138
  C      -0.687828      2.013810      5.588282
  C      -1.481665      1.166817      4.553497
  C      -0.849712      4.337102      6.546236
  C      -1.303672      5.403681      5.544624
  N      -2.751168      5.344175      5.429963
  H      -1.114401      1.393364      3.528944
  H      -1.291752      0.091342      4.727379
  H       0.143085      2.530992      5.093146
  H      -0.264643      1.387946      6.391430
  H      -0.956806      6.407426      5.848730
  H      -0.821310      5.193822      4.567903
  H      -1.159702      4.630280      7.560059
  H       0.238642      4.165630      6.557847
  H      -4.288614      2.565778      8.280348
  H      -3.676612      4.199141      7.957243
  H      -2.553965      1.470953      7.118361
  H      -1.841910      2.651293      8.262389
  C      -3.878266      0.962642      3.790681
  C      -4.516905     -0.362332      4.228708
  C      -5.934738     -0.545523      3.655256
  C      -6.046152     -0.260256      2.184901
  N      -6.601005      0.897324      1.845091
  C      -6.658087      1.205682      0.521960
  N      -6.220346      0.490359     -0.491810
  C      -5.661799     -0.716665     -0.172342
  C      -5.182414     -1.547769     -1.211034
  C      -4.619789     -2.771794     -0.912994
  C      -4.519122     -3.212353      0.425698
  C      -4.977456     -2.419994      1.458195
  C      -5.553561     -1.156913      1.184985
  C      -3.487605      6.334419      6.196670
  C      -3.630796      7.671189      5.439432
  C      -4.302189      7.481383      4.077308
  C      -5.785446      7.199966      4.143929
  N      -6.456657      7.704562      5.176521
  C      -7.793686      7.486868      5.224512
  N      -8.544625      6.845914      4.353705
  C      -7.881091      6.312884      3.279037
  C      -8.615389      5.592555      2.310278
  C      -7.966336      5.008321      1.241312
  C      -6.568796      5.127988      1.098141
  C      -5.826474      5.836071      2.022088
  C      -6.463370      6.448627      3.131542
  C      -6.094978      3.085924      6.495899
  C      -6.867590      4.405463      6.573842
  C      -8.368882      4.253913      6.791561
  C      -9.147534      3.649687      5.652884
  N      -8.485243      3.140139      4.627498
  C      -9.202761      2.589813      3.611435
  N     -10.512884      2.507224      3.511669
  C     -11.225635      3.040323      4.552116
  C     -12.641282      3.003862      4.503476
  C     -13.384493      3.534214      5.536513
  C     -12.743818      4.117689      6.654364
  C     -11.366924      4.165222      6.726987
  C     -10.578890      3.630899      5.678254
  H      -3.489734      0.897615      2.755462
  H      -4.703771      1.705078      3.741995
  H      -4.589270     -0.383845      5.326049
  H      -3.865534     -1.200798      3.932931
  H      -6.274266     -1.570603      3.875264
  H      -6.615966      0.154968      4.157120
  H      -7.121916      2.170495      0.290330
  H      -5.275807     -1.191228     -2.237152
  H      -4.251964     -3.411641     -1.715378
  H      -4.077747     -4.186245      0.641460
  H      -4.901078     -2.768613      2.488237
  H      -4.501695      5.957447      6.399403
  H      -3.021576      6.534629      7.183962
  H      -2.633768      8.116306      5.286590
  H      -4.215601      8.373297      6.053129
  H      -4.171602      8.383595      3.453018
  H      -3.790175      6.659958      3.554697
  H      -8.300720      7.891657      6.107642
  H      -9.692388      5.497894      2.446938
  H      -8.540518      4.440346      0.505775
  H      -6.067441      4.641789      0.259501
  H      -4.745619      5.889970      1.921913
  H      -6.276488      2.490240      7.411374
  H      -6.488951      2.510524      5.647731
  H      -6.469074      5.024225      7.392428
  H      -6.694204      4.959524      5.640314
  H      -8.579618      3.662192      7.701455
  H      -8.791036      5.253270      6.988789
  H      -8.600817      2.163193      2.801095
  H     -13.113653      2.549913      3.630657
  H     -14.474569      3.508413      5.494634
  H     -13.349898      4.534528      7.459983
  H     -10.880190      4.622199      7.588830
  N      -3.741025      3.802390      3.287971
96
Coordinates from ORCA-job orca E -6203.105205402363
  N      -2.900488      1.485847      4.718240
  Mo     -3.372431      3.464949      4.897881
  N      -4.685303      3.258920      6.324424
  C      -3.822968      3.199363      7.528537
  C      -2.426398      2.525320      7.341182
  N      -1.570274      3.047026      6.216339
  C      -0.713343      1.983407      5.621795
  C      -1.505745      1.147796      4.577894
  C      -0.852975      4.310970      6.568820
  C      -1.286044      5.373679      5.555887
  N      -2.732335      5.337666      5.424288
  H      -1.123006      1.371799      3.557862
  H      -1.333113      0.068743      4.751504
  H       0.131043      2.489205      5.137201
  H      -0.307098      1.351445      6.429149
  H      -0.932232      6.376724      5.855889
  H      -0.799185      5.149856      4.584177
  H      -1.168203      4.617655      7.577430
  H       0.231503      4.119934      6.595173
  H      -4.314003      2.577744      8.297594
  H      -3.680296      4.200161      7.972583
  H      -2.587708      1.462575      7.136845
  H      -1.868751      2.634478      8.286407
  C      -3.887169      0.946152      3.797734
  C      -4.501644     -0.394216      4.230146
  C      -5.915595     -0.595118      3.652245
  C      -6.034397     -0.289048      2.186114
  N      -6.618260      0.860264      1.866748
  C      -6.686553      1.191649      0.545504
  N      -6.232005      0.504949     -0.480460
  C      -5.642423     -0.693977     -0.179098
  C      -5.142874     -1.494383     -1.232180
  C      -4.549429     -2.709889     -0.953646
  C      -4.438052     -3.170370      0.377985
  C      -4.915229     -2.407667      1.423944
  C      -5.522199     -1.154517      1.170684
  C      -3.468511      6.351240      6.159448
  C      -3.601307      7.668814      5.372717
  C      -4.285116      7.466103      4.021335
  C      -5.775580      7.207476      4.105188
  N      -6.427010      7.730972      5.137540
  C      -7.768775      7.532505      5.201825
  N      -8.537911      6.893403      4.347300
  C      -7.892878      6.342070      3.269774
  C      -8.648669      5.622681      2.315550
  C      -8.019485      5.022358      1.243444
  C      -6.622711      5.123244      1.082571
  C      -5.860470      5.830593      1.995252
  C      -6.476565      6.458264      3.106563
  C      -6.111047      3.098370      6.517249
  C      -6.872791      4.422408      6.579802
  C      -8.373853      4.268194      6.806666
  C      -9.151072      3.651629      5.672607
  N      -8.487870      3.134539      4.652894
  C      -9.203143      2.576497      3.640195
  N     -10.513868      2.493954      3.543193
  C     -11.229965      3.035090      4.579038
  C     -12.644478      2.997715      4.529635
  C     -13.388072      3.537149      5.559255
  C     -12.748250      4.129372      6.672603
  C     -11.373209      4.178199      6.744917
  C     -10.584579      3.634659      5.699673
  H      -3.490889      0.886661      2.763993
  H      -4.727919      1.664898      3.741151
  H      -4.576161     -0.423558      5.326527
  H      -3.836887     -1.220956      3.931124
  H      -6.237528     -1.629249      3.858491
  H      -6.609869      0.087192      4.162632
  H      -7.174270      2.148423      0.329982
  H      -5.245718     -1.122159     -2.252900
  H      -4.165310     -3.327596     -1.765905
  H      -3.972583     -4.136865      0.579026
  H      -4.828554     -2.774229      2.448041
  H      -4.486301      5.991777      6.368712
  H      -3.002483      6.567069      7.140949
  H      -2.597781      8.093588      5.208064
  H      -4.175146      8.391338      5.970696
  H      -4.146565      8.358091      3.384498
  H      -3.793991      6.631265      3.501504
  H      -8.262004      7.954262      6.083638
  H      -9.725716      5.542583      2.465856
  H      -8.608958      4.455292      0.518977
  H      -6.137540      4.624857      0.241383
  H      -4.779913      5.871441      1.883472
  H      -6.295419      2.515363      7.435894
  H      -6.509893      2.514597      5.676486
  H      -6.469266      5.052210      7.385671
  H      -6.701121      4.962009      5.640820
  H      -8.574673      3.686184      7.724386
  H      -8.810781      5.263598      6.995001
  H      -8.597464      2.145521      2.834686
  H     -13.118357      2.537291      3.661337
  H     -14.477445      3.510805      5.516669
  H     -13.356663      4.552231      7.473658
  H     -10.885271      4.641133      7.602897
  N      -3.800487      3.803562      3.316977
96
Coordinates from ORCA-job orca E -6203.107520685102
  N      -2.920139      1.504894      4.701141
  Mo     -3.387760      3.480750      4.906456
  N      -4.692476      3.273354      6.331441
  C      -3.829891      3.204210      7.536280
  C      -2.439127      2.521692      7.344396
  N      -1.579268      3.040933      6.222616
  C      -0.732494      1.971134      5.627648
  C      -1.527384      1.153158      4.572563
  C      -0.854141      4.297975      6.579569
  C      -1.272570      5.362955      5.566425
  N      -2.718500      5.341411      5.424031
  H      -1.134295      1.379678      3.556910
  H      -1.369283      0.070871      4.738872
  H       0.124333      2.466961      5.155393
  H      -0.344224      1.327262      6.434159
  H      -0.913644      6.363632      5.868369
  H      -0.780615      5.136077      4.597840
  H      -1.172065      4.607069      7.586666
  H       0.228316      4.097480      6.612407
  H      -4.324941      2.583210      8.303051
  H      -3.680927      4.202432      7.984078
  H      -2.610069      1.461468      7.133688
  H      -1.879246      2.619592      8.289703
  C      -3.896230      0.942857      3.784116
  C      -4.473678     -0.415132      4.214131
  C      -5.884487     -0.648407      3.641139
  C      -6.024047     -0.333538      2.178647
  N      -6.654201      0.795816      1.875225
  C      -6.747996      1.136360      0.557401
  N      -6.276177      0.477291     -0.478863
  C      -5.637826     -0.701296     -0.193904
  C      -5.116990     -1.471769     -1.259162
  C      -4.475323     -2.666841     -0.997496
  C      -4.335989     -3.135875      0.328543
  C      -4.833195     -2.401857      1.386255
  C      -5.488729     -1.169818      1.150355
  C      -3.450741      6.368097      6.146097
  C      -3.579552      7.673672      5.341597
  C      -4.281417      7.451022      4.002844
  C      -5.772617      7.202539      4.111760
  N      -6.407376      7.750097      5.141762
  C      -7.749165      7.558610      5.228673
  N      -8.532762      6.904484      4.398665
  C      -7.904800      6.329246      3.323068
  C      -8.676371      5.593476      2.394240
  C      -8.063828      4.968851      1.326004
  C      -6.668968      5.061083      1.143859
  C      -5.891691      5.784567      2.031287
  C      -6.490409      6.436805      3.138017
  C      -6.119240      3.114845      6.520864
  C      -6.877694      4.441480      6.563517
  C      -8.378978      4.296169      6.794422
  C      -9.159086      3.664950      5.670353
  N      -8.498546      3.116306      4.665718
  C      -9.216237      2.544645      3.662231
  N     -10.527385      2.477047      3.561268
  C     -11.240969      3.051868      4.580782
  C     -12.655575      3.032951      4.524376
  C     -13.396838      3.606912      5.536949
  C     -12.754411      4.215816      6.639757
  C     -11.379362      4.246950      6.718731
  C     -10.593048      3.668228      5.690606
  H      -3.497120      0.890937      2.750753
  H      -4.756014      1.639003      3.729341
  H      -4.544473     -0.451306      5.310451
  H      -3.789841     -1.224405      3.910637
  H      -6.175978     -1.693241      3.839613
  H      -6.594254      0.009867      4.161758
  H      -7.275299      2.075252      0.355284
  H      -5.242524     -1.093676     -2.275281
  H      -4.074490     -3.261836     -1.818888
  H      -3.832731     -4.086146      0.516500
  H      -4.724138     -2.775408      2.405780
  H      -4.470399      6.017273      6.362303
  H      -2.981419      6.592493      7.123536
  H      -2.574458      8.087381      5.159135
  H      -4.141494      8.411074      5.932755
  H      -4.146918      8.331605      3.349458
  H      -3.802779      6.604775      3.489982
  H      -8.228765      8.001394      6.107743
  H      -9.751639      5.520037      2.560797
  H      -8.665487      4.388716      0.622130
  H      -6.196991      4.543487      0.306723
  H      -4.812304      5.818590      1.904942
  H      -6.308095      2.541296      7.444429
  H      -6.514917      2.522402      5.684578
  H      -6.471309      5.084017      7.357985
  H      -6.705983      4.965362      5.615449
  H      -8.581876      3.731162      7.722098
  H      -8.812306      5.296168      6.965119
  H      -8.612075      2.087236      2.870032
  H     -13.131920      2.559244      3.664674
  H     -14.486252      3.595300      5.488785
  H     -13.361805      4.665896      7.426683
  H     -10.888966      4.722671      7.568104
  N      -3.873934      3.821895      3.342528
96
Coordinates from ORCA-job orca E -6203.109928374128
  N      -2.936739      1.532163      4.679040
  Mo     -3.411073      3.497844      4.920330
  N      -4.681238      3.279740      6.367185
  C      -3.810854      3.205958      7.557500
  C      -2.424418      2.519959      7.334731
  N      -1.577860      3.047936      6.209500
  C      -0.736387      1.984987      5.595768
  C      -1.543450      1.180407      4.536609
  C      -0.847091      4.300112      6.571092
  C      -1.267561      5.370347      5.565640
  N      -2.714174      5.354672      5.430800
  H      -1.158843      1.409678      3.518338
  H      -1.380887      0.096626      4.693133
  H       0.117498      2.480189      5.118772
  H      -0.340136      1.330346      6.388474
  H      -0.897013      6.365631      5.871948
  H      -0.780019      5.149146      4.594361
  H      -1.156880      4.600936      7.582759
  H       0.238841      4.109011      6.592123
  H      -4.304096      2.582930      8.326821
  H      -3.666442      4.209801      8.000769
  H      -2.599395      1.460941      7.118673
  H      -1.856007      2.609239      8.277005
  C      -3.913061      0.943844      3.771027
  C      -4.447230     -0.438420      4.192782
  C      -5.865793     -0.704044      3.639003
  C      -6.023657     -0.377078      2.178464
  N      -6.687282      0.737931      1.885197
  C      -6.796541      1.080189      0.572629
  N      -6.311518      0.437993     -0.472559
  C      -5.638048     -0.723953     -0.200079
  C      -5.099014     -1.478124     -1.273497
  C      -4.423059     -2.655455     -1.021977
  C      -4.264306     -3.126878      0.303604
  C      -4.778355     -2.409761      1.368006
  C      -5.470301     -1.192892      1.141001
  C      -3.436610      6.386831      6.146375
  C      -3.567944      7.683168      5.333627
  C      -4.297181      7.425171      4.013283
  C      -5.780118      7.181479      4.156534
  N      -6.401986      7.745840      5.186743
  C      -7.742934      7.550322      5.297689
  N      -8.535502      6.874531      4.488615
  C      -7.924323      6.284776      3.413696
  C      -8.708302      5.530344      2.507603
  C      -8.107537      4.895539      1.439453
  C      -6.711071      4.995059      1.235750
  C      -5.926615      5.733018      2.098058
  C      -6.511386      6.397197      3.204996
  C      -6.111657      3.119893      6.540186
  C      -6.872192      4.453871      6.558184
  C      -8.382733      4.330544      6.768396
  C      -9.163707      3.698601      5.640111
  N      -8.501855      3.126142      4.647553
  C      -9.221234      2.550144      3.644641
  N     -10.532322      2.497735      3.527977
  C     -11.245534      3.097821      4.531071
  C     -12.660276      3.095514      4.463603
  C     -13.402749      3.691644      5.462763
  C     -12.764374      4.308398      6.563647
  C     -11.386533      4.324317      6.653176
  C     -10.597346      3.722246      5.641916
  H      -3.527271      0.904875      2.730561
  H      -4.783837      1.620140      3.738737
  H      -4.495325     -0.482216      5.291799
  H      -3.754373     -1.232341      3.872778
  H      -6.133747     -1.755592      3.822487
  H      -6.583705     -0.071131      4.179914
  H      -7.350556      2.005963      0.378648
  H      -5.239635     -1.099909     -2.287449
  H      -4.009660     -3.234988     -1.851073
  H      -3.733851     -4.063773      0.483412
  H      -4.656109     -2.782027      2.386099
  H      -4.451566      6.029812      6.379930
  H      -2.951125      6.613110      7.120433
  H      -2.566202      8.091438      5.122684
  H      -4.112914      8.434846      5.925545
  H      -4.175352      8.291567      3.338297
  H      -3.831897      6.566393      3.509402
  H      -8.210767      8.008172      6.175253
  H      -9.780910      5.453401      2.693111
  H      -8.713625      4.301796      0.752776
  H      -6.246896      4.470804      0.399529
  H      -4.848645      5.770820      1.950720
  H      -6.309164      2.551665      7.470989
  H      -6.502512      2.527578      5.700012
  H      -6.464137      5.099347      7.354101
  H      -6.684832      4.969024      5.603622
  H      -8.597583      3.775245      7.699478
  H      -8.800965      5.336464      6.928702
  H      -8.619806      2.069616      2.867714
  H     -13.132542      2.614822      3.606285
  H     -14.492824      3.691166      5.405807
  H     -13.369642      4.776787      7.341670
  H     -10.901446      4.805008      7.502304
  N      -3.971465      3.845240      3.378552
96
Coordinates from ORCA-job orca E -6203.113125593467
  N      -2.958636      1.535569      4.678846
  Mo     -3.433470      3.499636      4.937853
  N      -4.691427      3.280558      6.391193
  C      -3.818980      3.202680      7.580082
  C      -2.438414      2.509540      7.352845
  N      -1.591845      3.035424      6.227799
  C      -0.757756      1.968355      5.614074
  C      -1.565937      1.175014      4.548683
  C      -0.856378      4.282391      6.591435
  C      -1.260971      5.349803      5.582696
  N      -2.706933      5.345793      5.434185
  H      -1.173044      1.402967      3.533350
  H      -1.414091      0.089738      4.703106
  H       0.104482      2.456593      5.144937
  H      -0.373437      1.305839      6.406517
  H      -0.887370      6.343947      5.888062
  H      -0.765622      5.122629      4.616709
  H      -1.171805      4.587980      7.599997
  H       0.227864      4.083828      6.621449
  H      -4.313636      2.583291      8.351121
  H      -3.667722      4.205701      8.022451
  H      -2.621757      1.452553      7.133470
  H      -1.866196      2.590635      8.293573
  C      -3.919216      0.921218      3.775944
  C      -4.416388     -0.475708      4.193532
  C      -5.831113     -0.765634      3.643704
  C      -6.007809     -0.416042      2.191125
  N      -6.701253      0.686767      1.925285
  C      -6.828520      1.052984      0.621310
  N      -6.335798      0.445114     -0.439342
  C      -5.632056     -0.704469     -0.195568
  C      -5.083291     -1.421792     -1.287411
  C      -4.376844     -2.586223     -1.065484
  C      -4.196105     -3.080681      0.247930
  C      -4.719036     -2.399418      1.330067
  C      -5.442244     -1.196546      1.133649
  C      -3.428859      6.398475      6.122253
  C      -3.549820      7.679768      5.282891
  C      -4.285658      7.412010      3.967400
  C      -5.771533      7.186986      4.115715
  N      -6.381545      7.761399      5.148081
  C      -7.722846      7.580733      5.267876
  N      -8.526426      6.910407      4.465879
  C      -7.928795      6.312359      3.387794
  C      -8.726164      5.563645      2.489584
  C      -8.140443      4.920787      1.418153
  C      -6.746442      5.007935      1.202386
  C      -5.948273      5.739751      2.057184
  C      -6.517074      6.409906      3.168934
  C      -6.121784      3.121591      6.567027
  C      -6.879432      4.455441      6.572109
  C      -8.388015      4.337444      6.789795
  C      -9.169783      3.690848      5.671284
  N      -8.508081      3.093558      4.693839
  C      -9.226859      2.505061      3.697395
  N     -10.537180      2.461528      3.574436
  C     -11.250003      3.087032      4.562016
  C     -12.664332      3.096118      4.485788
  C     -13.406870      3.718850      5.467919
  C     -12.768888      4.351711      6.560226
  C     -11.391559      4.356569      6.658355
  C     -10.602642      3.727218      5.664333
  H      -3.531111      0.888917      2.736242
  H      -4.812658      1.575299      3.744283
  H      -4.460113     -0.528049      5.292433
  H      -3.707215     -1.252044      3.865864
  H      -6.074737     -1.826107      3.811507
  H      -6.559132     -0.157734      4.199064
  H      -7.406505      1.968690      0.450067
  H      -5.241192     -1.026266     -2.291540
  H      -3.955917     -3.137528     -1.908651
  H      -3.641387     -4.007190      0.404469
  H      -4.579419     -2.789633      2.338499
  H      -4.447031      6.051655      6.359581
  H      -2.946056      6.640947      7.092723
  H      -2.543727      8.072835      5.062771
  H      -4.085286      8.448405      5.861620
  H      -4.157084      8.270215      3.282878
  H      -3.831392      6.542852      3.470561
  H      -8.180551      8.047136      6.147049
  H      -9.797068      5.496793      2.683853
  H      -8.757592      4.330722      0.737858
  H      -6.294720      4.478017      0.363027
  H      -4.872363      5.767701      1.901041
  H      -6.318698      2.562228      7.503252
  H      -6.513462      2.520621      5.733735
  H      -6.467091      5.111131      7.357051
  H      -6.694894      4.956537      5.608989
  H      -8.603040      3.795836      7.729220
  H      -8.803722      5.346663      6.935028
  H      -8.624832      2.005517      2.932104
  H     -13.136577      2.602816      3.635085
  H     -14.496625      3.727614      5.403852
  H     -13.374548      4.841450      7.324397
  H     -10.906489      4.849833      7.500693
  N      -4.047006      3.842177      3.417017
96
Coordinates from ORCA-job orca E -6203.118836818237
  N      -2.986104      1.503412      4.693775
  Mo     -3.466100      3.476042      4.956029
  N      -4.698397      3.264094      6.460871
  C      -3.822318      3.188082      7.645531
  C      -2.447781      2.484991      7.406453
  N      -1.611327      3.007672      6.265893
  C      -0.780209      1.935189      5.652128
  C      -1.587240      1.144758      4.580588
  C      -0.872092      4.257063      6.622318
  C      -1.261698      5.320494      5.599056
  N      -2.708985      5.324777      5.431379
  H      -1.186237      1.367620      3.567375
  H      -1.436724      0.059507      4.738820
  H       0.085882      2.420644      5.183158
  H      -0.396558      1.269198      6.444461
  H      -0.882754      6.313952      5.898697
  H      -0.755621      5.082943      4.641291
  H      -1.192864      4.570468      7.626980
  H       0.212750      4.058943      6.658603
  H      -4.313342      2.577576      8.425654
  H      -3.660777      4.194117      8.077432
  H      -2.637693      1.427316      7.195707
  H      -1.865740      2.567008      8.340950
  C      -3.935924      0.864278      3.793978
  C      -4.401746     -0.542857      4.208048
  C      -5.817930     -0.833522      3.661758
  C      -5.993381     -0.440932      2.220453
  N      -6.681707      0.671425      1.988986
  C      -6.798046      1.084505      0.700588
  N      -6.304675      0.511103     -0.377892
  C      -5.610750     -0.648766     -0.171108
  C      -5.062590     -1.331465     -1.283324
  C      -4.363837     -2.504871     -1.098818
  C      -4.188529     -3.044106      0.196751
  C      -4.710241     -2.398229      1.297764
  C      -5.427487     -1.187025      1.140212
  C      -3.437150      6.404398      6.079081
  C      -3.549591      7.675747      5.213684
  C      -4.277911      7.425661      3.886918
  C      -5.769386      7.223463      4.005724
  N      -6.385740      7.782565      5.044259
  C      -7.728250      7.617688      5.144011
  N      -8.528047      6.975256      4.318664
  C      -7.927647      6.395215      3.233626
  C      -8.724676      5.675453      2.312234
  C      -8.139866      5.051901      1.229555
  C      -6.746475      5.133918      1.023380
  C      -5.947322      5.834915      1.901916
  C      -6.514683      6.481466      3.029392
  C      -6.128485      3.108024      6.641607
  C      -6.885730      4.439373      6.643832
  C      -8.391530      4.316658      6.867472
  C      -9.168646      3.662991      5.752214
  N      -8.498688      3.066533      4.779507
  C      -9.210130      2.474233      3.781016
  N     -10.519573      2.424812      3.651303
  C     -11.239946      3.047501      4.635267
  C     -12.653913      3.049908      4.554716
  C     -13.403250      3.669401      5.533258
  C     -12.773117      4.307288      6.626235
  C     -11.395942      4.318811      6.728405
  C     -10.600605      3.692207      5.739170
  H      -3.551069      0.836512      2.753311
  H      -4.843363      1.501926      3.764445
  H      -4.439671     -0.604130      5.307505
  H      -3.684355     -1.308120      3.870162
  H      -6.063408     -1.897796      3.807311
  H      -6.543630     -0.238295      4.233741
  H      -7.366491      2.011153      0.558550
  H      -5.214887     -0.901742     -2.273491
  H      -3.944308     -3.028269     -1.958363
  H      -3.638906     -3.977704      0.322167
  H      -4.576351     -2.821271      2.292953
  H      -4.455600      6.060765      6.317974
  H      -2.962691      6.666506      7.047390
  H      -2.537605      8.055055      4.996120
  H      -4.080250      8.454944      5.783174
  H      -4.126562      8.288430      3.212576
  H      -3.830652      6.553734      3.386659
  H      -8.189189      8.068751      6.029918
  H      -9.796138      5.615921      2.499594
  H      -8.756420      4.483577      0.529826
  H      -6.296021      4.621423      0.171910
  H      -4.872768      5.856603      1.749738
  H      -6.321568      2.558433      7.583464
  H      -6.525798      2.501104      5.815881
  H      -6.469498      5.095664      7.425028
  H      -6.704502      4.935267      5.677723
  H      -8.601217      3.771979      7.807309
  H      -8.810090      5.325036      7.014751
  H      -8.602274      1.977594      3.016393
  H     -13.119153      2.552604      3.702215
  H     -14.492607      3.671997      5.465311
  H     -13.381012      4.795812      7.389230
  H     -10.917796      4.817123      7.572526
  N      -4.120381      3.803844      3.453451
96
Coordinates from ORCA-job orca E -6203.122049651285
  N      -2.999521      1.527442      4.688980
  Mo     -3.486754      3.488052      4.979628
  N      -4.698351      3.262486      6.474181
  C      -3.819541      3.178082      7.655211
  C      -2.451772      2.473467      7.410637
  N      -1.618689      3.004726      6.278830
  C      -0.792636      1.940098      5.655575
  C      -1.602451      1.164421      4.578895
  C      -0.880378      4.246861      6.644793
  C      -1.261086      5.309284      5.623651
  N      -2.706224      5.319436      5.446724
  H      -1.199765      1.391126      3.567494
  H      -1.459738      0.077564      4.729306
  H       0.075147      2.426524      5.192271
  H      -0.411765      1.263729      6.439686
  H      -0.883697      6.302784      5.924108
  H      -0.749908      5.070596      4.669066
  H      -1.205894      4.559254      7.648107
  H       0.203471      4.046716      6.687171
  H      -4.312575      2.567580      8.432724
  H      -3.653817      4.181989      8.088918
  H      -2.646657      1.419342      7.187981
  H      -1.869185      2.542426      8.345987
  C      -3.934183      0.865461      3.796219
  C      -4.358627     -0.557571      4.200540
  C      -5.771786     -0.881450      3.663845
  C      -5.977303     -0.476849      2.229764
  N      -6.699360      0.618378      2.018848
  C      -6.839337      1.045531      0.736636
  N      -6.340098      0.500693     -0.353530
  C      -5.612163     -0.642424     -0.167926
  C      -5.055585     -1.294819     -1.293844
  C      -4.322547     -2.450941     -1.130999
  C      -4.120066     -3.001773      0.155756
  C      -4.649047     -2.384964      1.269849
  C      -5.401345     -1.192488      1.134740
  C      -3.431375      6.417878      6.060239
  C      -3.534636      7.665770      5.166053
  C      -4.274591      7.384316      3.854069
  C      -5.765536      7.196625      3.998505
  N      -6.358332      7.772591      5.040775
  C      -7.700361      7.620028      5.167258
  N      -8.520646      6.973432      4.364914
  C      -7.944372      6.377350      3.275326
  C      -8.764338      5.654606      2.376335
  C      -8.204718      5.018628      1.287963
  C      -6.814600      5.091047      1.053513
  C      -5.993204      5.794047      1.910713
  C      -6.534349      6.451984      3.043489
  C      -6.128294      3.104068      6.654876
  C      -6.882271      4.437021      6.640649
  C      -8.390198      4.327811      6.859204
  C      -9.168966      3.671108      5.746100
  N      -8.502380      3.049631      4.786456
  C      -9.216289      2.454182      3.790925
  N     -10.525597      2.425285      3.651583
  C     -11.242281      3.074226      4.621153
  C     -12.655629      3.098939      4.529094
  C     -13.401857      3.744797      5.493097
  C     -12.768865      4.387775      6.582511
  C     -11.392411      4.377812      6.695897
  C     -10.600140      3.723762      5.721490
  H      -3.553303      0.850393      2.753568
  H      -4.861578      1.477999      3.776813
  H      -4.384660     -0.631123      5.299074
  H      -3.626475     -1.300868      3.847986
  H      -5.984699     -1.954154      3.795533
  H      -6.508084     -0.315957      4.251135
  H      -7.434629      1.957691      0.612059
  H      -5.229190     -0.856304     -2.276892
  H      -3.896566     -2.951405     -2.000940
  H      -3.543601     -3.921366      0.264494
  H      -4.493812     -2.817722      2.258063
  H      -4.452379      6.085676      6.305113
  H      -2.956419      6.699206      7.021545
  H      -2.521044      8.030509      4.932897
  H      -4.054504      8.464251      5.716730
  H      -4.124686      8.228928      3.156536
  H      -3.840026      6.496998      3.371253
  H      -8.141338      8.087155      6.055130
  H      -9.832856      5.603172      2.584686
  H      -8.839066      4.448242      0.606002
  H      -6.384462      4.569833      0.197257
  H      -4.921340      5.810675      1.737019
  H      -6.321160      2.562537      7.600576
  H      -6.523521      2.490131      5.834277
  H      -6.465080      5.100630      7.414646
  H      -6.695365      4.919966      5.669453
  H      -8.609827      3.795337      7.803288
  H      -8.800150      5.341222      6.993853
  H      -8.611400      1.936465      3.038687
  H     -13.123153      2.597210      3.679715
  H     -14.490794      3.764578      5.416454
  H     -13.374886      4.897172      7.333437
  H     -10.911945      4.879924      7.536894
  N      -4.209839      3.822729      3.505095
96
Coordinates from ORCA-job orca E -6203.125098794352
  N      -3.011249      1.548141      4.682907
  Mo     -3.506978      3.492511      5.004151
  N      -4.691727      3.255494      6.503664
  C      -3.809448      3.162529      7.671695
  C      -2.452015      2.453850      7.413814
  N      -1.626030      2.996516      6.291440
  C      -0.802032      1.944525      5.654567
  C      -1.614413      1.185920      4.572021
  C      -0.889446      4.232680      6.665854
  C      -1.264384      5.296792      5.642820
  N      -2.707147      5.309228      5.463314
  H      -1.212666      1.420143      3.562084
  H      -1.475034      0.097006      4.710740
  H       0.065018      2.436292      5.195092
  H      -0.417614      1.256293      6.426527
  H      -0.887994      6.290797      5.942948
  H      -0.750047      5.057853      4.690407
  H      -1.218150      4.543106      7.668599
  H       0.195445      4.034934      6.710798
  H      -4.301375      2.552350      8.449847
  H      -3.634312      4.164877      8.106456
  H      -2.653303      1.403166      7.179456
  H      -1.866425      2.507473      8.348743
  C      -3.938595      0.867692      3.795591
  C      -4.320135     -0.570272      4.189759
  C      -5.731526     -0.927598      3.666307
  C      -5.964003     -0.510301      2.239112
  N      -6.716811      0.568204      2.045766
  C      -6.873188      1.009495      0.770047
  N      -6.364516      0.492287     -0.330154
  C      -5.607726     -0.635170     -0.163152
  C      -5.039739     -1.259563     -1.300398
  C      -4.276384     -2.399080     -1.155908
  C      -4.053388     -2.960756      0.123180
  C      -4.592675     -2.371253      1.247758
  C      -5.376409     -1.196621      1.131776
  C      -3.429244      6.426851      6.039357
  C      -3.531993      7.651444      5.117652
  C      -4.288029      7.341186      3.822451
  C      -5.777197      7.164335      3.992768
  N      -6.349828      7.751549      5.039565
  C      -7.690925      7.608255      5.189270
  N      -8.528280      6.958046      4.407097
  C      -7.972461      6.350833      3.313458
  C      -8.811343      5.625746      2.433171
  C      -8.273197      4.983775      1.337753
  C      -6.885890      5.052152      1.077472
  C      -6.046560      5.755845      1.917249
  C      -6.565739      6.419243      3.056201
  C      -6.121838      3.098089      6.679324
  C      -6.870949      4.433895      6.648165
  C      -8.382622      4.341564      6.857165
  C      -9.162724      3.685401      5.743696
  N      -8.497389      3.040469      4.797924
  C      -9.211465      2.446221      3.802575
  N     -10.520313      2.440632      3.648314
  C     -11.235409      3.113300      4.602744
  C     -12.647061      3.163262      4.494839
  C     -13.391803      3.832439      5.444236
  C     -12.758864      4.474845      6.534343
  C     -11.384081      4.441232      6.662766
  C     -10.592783      3.762894      5.703477
  H      -3.569795      0.869415      2.747849
  H      -4.875886      1.454674      3.792303
  H      -4.329375     -0.655992      5.287659
  H      -3.575858     -1.291774      3.818841
  H      -5.913435     -2.007010      3.783670
  H      -6.475890     -0.391606      4.270510
  H      -7.490461      1.908631      0.660845
  H      -5.229027     -0.813100     -2.277349
  H      -3.841886     -2.877683     -2.034821
  H      -3.452929     -3.866699      0.217148
  H      -4.421571     -2.811597      2.230392
  H      -4.449273      6.102065      6.295893
  H      -2.950008      6.730116      6.991203
  H      -2.519027      8.004002      4.864656
  H      -4.039465      8.466550      5.654274
  H      -4.141927      8.168028      3.103226
  H      -3.864806      6.440622      3.355150
  H      -8.114669      8.088173      6.078273
  H      -9.876953      5.578974      2.661222
  H      -8.921358      4.412425      0.670228
  H      -6.472958      4.527260      0.215094
  H      -4.976907      5.771785      1.723203
  H      -6.317228      2.566520      7.629149
  H      -6.514916      2.477501      5.863190
  H      -6.452256      5.101530      7.417677
  H      -6.674504      4.904612      5.673864
  H      -8.615307      3.818318      7.803183
  H      -8.780645      5.360882      6.983043
  H      -8.609325      1.908530      3.063562
  H     -13.113442      2.661277      3.645139
  H     -14.479168      3.871101      5.355635
  H     -13.362621      5.002857      7.274160
  H     -10.904543      4.943553      7.503977
  N      -4.309473      3.838229      3.570740
96
Coordinates from ORCA-job orca E -6203.128103700476
  N      -3.029173      1.560032      4.678615
  Mo     -3.529891      3.494948      5.025761
  N      -4.689986      3.253559      6.545125
  C      -3.804247      3.154488      7.703484
  C      -2.457792      2.435735      7.431833
  N      -1.638179      2.983491      6.311465
  C      -0.818451      1.937799      5.663225
  C      -1.632499      1.193677      4.574454
  C      -0.900682      4.215345      6.690419
  C      -1.264380      5.279437      5.663666
  N      -2.705690      5.296852      5.476604
  H      -1.226264      1.431653      3.567384
  H      -1.500953      0.102817      4.704971
  H       0.049856      2.431586      5.207980
  H      -0.433878      1.239455      6.426324
  H      -0.887982      6.273304      5.964359
  H      -0.743880      5.037972      4.715332
  H      -1.235096      4.528545      7.690362
  H       0.183663      4.015962      6.742300
  H      -4.294325      2.549038      8.487316
  H      -3.613206      4.155087      8.137611
  H      -2.669378      1.388252      7.190757
  H      -1.864947      2.475101      8.363639
  C      -3.945719      0.863827      3.795478
  C      -4.288426     -0.585878      4.180428
  C      -5.694914     -0.973290      3.664675
  C      -5.950078     -0.542628      2.244836
  N      -6.731954      0.518855      2.072820
  C      -6.906608      0.976996      0.805534
  N      -6.391221      0.490445     -0.305854
  C      -5.606285     -0.620816     -0.161666
  C      -5.030330     -1.212920     -1.312442
  C      -4.237746     -2.335419     -1.191205
  C      -3.992404     -2.911451      0.077170
  C      -4.538985     -2.353259      1.214729
  C      -5.352685     -1.196935      1.122982
  C      -3.426313      6.436113      6.013262
  C      -3.524610      7.635758      5.059450
  C      -4.296425      7.301203      3.779508
  C      -5.785807      7.141290      3.968900
  N      -6.341115      7.740157      5.018623
  C      -7.681644      7.608008      5.185497
  N      -8.533131      6.955696      4.420626
  C      -7.994374      6.337344      3.324216
  C      -8.848015      5.610233      2.460362
  C      -8.327873      4.961772      1.359589
  C      -6.944445      5.025389      1.077484
  C      -6.090344      5.728620      1.902734
  C      -6.591062      6.397803      3.046652
  C      -6.120642      3.101877      6.719683
  C      -6.864364      4.440304      6.668058
  C      -8.377600      4.359255      6.868500
  C      -9.154639      3.698928      5.755915
  N      -8.487099      3.036284      4.824206
  C      -9.197182      2.439274      3.828953
  N     -10.504364      2.446952      3.660989
  C     -11.221494      3.137442      4.600602
  C     -12.631340      3.201612      4.477457
  C     -13.378585      3.888142      5.411884
  C     -12.749614      4.534562      6.501641
  C     -11.376942      4.487942      6.644496
  C     -10.583151      3.791341      5.700569
  H      -3.584224      0.880580      2.745168
  H      -4.896870      1.428685      3.802728
  H      -4.285960     -0.683260      5.277411
  H      -3.530856     -1.285627      3.794807
  H      -5.846825     -2.058626      3.768870
  H      -6.447768     -0.465394      4.282601
  H      -7.546048      1.862495      0.714657
  H      -5.236945     -0.755992     -2.280895
  H      -3.797217     -2.789152     -2.080546
  H      -3.368822     -3.803466      0.152293
  H      -4.350560     -2.804095      2.189305
  H      -4.447429      6.122980      6.279604
  H      -2.945340      6.763833      6.955918
  H      -2.510313      7.971516      4.788589
  H      -4.018508      8.469677      5.580029
  H      -4.149687      8.108927      3.039127
  H      -3.886730      6.385718      3.328798
  H      -8.091646      8.100312      6.074185
  H      -9.910334      5.568557      2.704428
  H      -8.987485      4.389595      0.704450
  H      -6.546647      4.496950      0.209995
  H      -5.023537      5.742815      1.692300
  H      -6.319623      2.583814      7.676669
  H      -6.513393      2.470710      5.911463
  H      -6.446748      5.115570      7.431722
  H      -6.659037      4.896809      5.688681
  H      -8.621019      3.845070      7.816861
  H      -8.769067      5.382432      6.984224
  H      -8.594012      1.886601      3.102096
  H     -13.093841      2.695885      3.628273
  H     -14.464418      3.937293      5.311778
  H     -13.354728      5.076306      7.230022
  H     -10.901021      4.993723      7.485171
  N      -4.397750      3.849015      3.632338
96
Coordinates from ORCA-job orca E -6203.131326962362
  N      -3.040093      1.561748      4.671887
  Mo     -3.555679      3.480967      5.042678
  N      -4.677528      3.243924      6.605190
  C      -3.790761      3.138976      7.750393
  C      -2.456301      2.407232      7.459917
  N      -1.648462      2.961189      6.335286
  C      -0.828273      1.925222      5.670959
  C      -1.641494      1.195120      4.572814
  C      -0.913778      4.195680      6.710985
  C      -1.273561      5.259681      5.669973
  N      -2.714081      5.272738      5.481542
  H      -1.231554      1.442215      3.569476
  H      -1.512909      0.101709      4.689854
  H       0.038147      2.425888      5.217363
  H      -0.436440      1.216807      6.422398
  H      -0.899352      6.255545      5.967457
  H      -0.747765      5.014694      4.725449
  H      -1.251849      4.515153      7.707568
  H       0.172275      4.003684      6.764198
  H      -4.275724      2.539848      8.544365
  H      -3.576816      4.137235      8.182757
  H      -2.676072      1.361051      7.217757
  H      -1.855015      2.435454      8.388217
  C      -3.959048      0.859005      3.790027
  C      -4.265329     -0.599986      4.167761
  C      -5.669221     -1.015984      3.663581
  C      -5.939812     -0.571593      2.249371
  N      -6.741231      0.478176      2.092333
  C      -6.920299      0.954281      0.832102
  N      -6.393854      0.493900     -0.286677
  C      -5.592379     -0.607072     -0.159055
  C      -5.005080     -1.172525     -1.318887
  C      -4.193571     -2.283949     -1.214252
  C      -3.939519     -2.874944      0.045865
  C      -4.496690     -2.342608      1.191978
  C      -5.330522     -1.198665      1.117814
  C      -3.433195      6.435160      5.980378
  C      -3.536468      7.614654      5.000652
  C      -4.328811      7.268059      3.736031
  C      -5.817445      7.120269      3.946641
  N      -6.357574      7.724065      5.001543
  C      -7.697731      7.595920      5.184878
  N      -8.561018      6.939374      4.437150
  C      -8.036107      6.316781      3.335914
  C      -8.900709      5.585847      2.486368
  C      -8.394586      4.938720      1.377113
  C      -7.014778      5.006830      1.071856
  C      -6.150092      5.710914      1.885187
  C      -6.636420      6.378732      3.036883
  C      -6.110314      3.104864      6.771031
  C      -6.844636      4.448558      6.702365
  C      -8.361649      4.378698      6.884989
  C      -9.132844      3.724353      5.765114
  N      -8.459772      3.055051      4.841473
  C      -9.162720      2.465343      3.839828
  N     -10.468637      2.486763      3.655523
  C     -11.190942      3.183281      4.586234
  C     -12.598736      3.261496      4.446380
  C     -13.351210      3.953439      5.372454
  C     -12.729037      4.592021      6.469848
  C     -11.359183      4.532852      6.628414
  C     -10.559896      3.829991      5.693288
  H      -3.612916      0.894409      2.734591
  H      -4.907923      1.407015      3.815547
  H      -4.246013     -0.707845      5.263936
  H      -3.498728     -1.279573      3.763101
  H      -5.793824     -2.105608      3.756507
  H      -6.428793     -0.533935      4.294549
  H      -7.571806      1.831502      0.753810
  H      -5.217923     -0.704655     -2.281087
  H      -3.744744     -2.716827     -2.110801
  H      -3.300775     -3.757568      0.106567
  H      -4.302409     -2.803587      2.161088
  H      -4.452675      6.132549      6.261794
  H      -2.944980      6.787922      6.911649
  H      -2.523336      7.937258      4.710122
  H      -4.016145      8.461275      5.515554
  H      -4.183800      8.061323      2.980649
  H      -3.933083      6.341646      3.294844
  H      -8.097610      8.096079      6.072802
  H      -9.959784      5.542775      2.747222
  H      -9.062047      4.364892      0.732167
  H      -6.629158      4.480907      0.196334
  H      -5.085734      5.730990      1.657414
  H      -6.319158      2.599816      7.733173
  H      -6.501335      2.466953      5.967418
  H      -6.430167      5.123787      7.468038
  H      -6.622550      4.897322      5.723764
  H      -8.619391      3.863956      7.829482
  H      -8.746116      5.404912      7.000208
  H      -8.557099      1.906004      3.120232
  H     -13.053927      2.760851      3.591317
  H     -14.435008      4.012372      5.260006
  H     -13.336295      5.138181      7.193071
  H     -10.889823      5.033599      7.474872
  N      -4.492074      3.844693      3.695525
96
Coordinates from ORCA-job orca E -6203.134524428975
  N      -3.061543      1.568864      4.667667
  Mo     -3.582768      3.482495      5.058610
  N      -4.680533      3.249941      6.651312
  C      -3.791492      3.138011      7.796846
  C      -2.466714      2.390184      7.497746
  N      -1.663333      2.944883      6.367920
  C      -0.848830      1.909322      5.693871
  C      -1.662212      1.191169      4.584712
  C      -0.927688      4.179268      6.742955
  C      -1.272968      5.240253      5.693318
  N      -2.714530      5.258814      5.488955
  H      -1.240418      1.439248      3.586660
  H      -1.546263      0.095968      4.695679
  H       0.021042      2.409139      5.246004
  H      -0.461275      1.192159      6.439474
  H      -0.899483      6.236218      5.991022
  H      -0.737065      4.989527      4.756169
  H      -1.274897      4.506815      7.733635
  H       0.157165      3.984756      6.807898
  H      -4.277832      2.548782      8.597772
  H      -3.558379      4.133647      8.226909
  H      -2.698079      1.347112      7.251923
  H      -1.858633      2.405528      8.422643
  C      -3.971797      0.855626      3.786089
  C      -4.247816     -0.612084      4.153744
  C      -5.644912     -1.050293      3.649994
  C      -5.928533     -0.593177      2.242411
  N      -6.750453      0.442864      2.104401
  C      -6.943066      0.935602      0.852173
  N      -6.411698      0.503327     -0.274982
  C      -5.589329     -0.584635     -0.167489
  C      -4.996610     -1.119765     -1.338345
  C      -4.163715     -2.217296     -1.254623
  C      -3.893395     -2.823561     -0.005243
  C      -4.455817     -2.320432      1.151608
  C      -5.311349     -1.191411      1.099000
  C      -3.427676      6.445660      5.944600
  C      -3.516491      7.595342      4.927827
  C      -4.324193      7.228446      3.678595
  C      -5.813649      7.107108      3.904296
  N      -6.335190      7.728150      4.958698
  C      -7.674955      7.615446      5.157102
  N      -8.552272      6.956964      4.428205
  C      -8.045795      6.318038      3.326616
  C      -8.925587      5.584703      2.495803
  C      -8.438141      4.925325      1.384875
  C      -7.062991      4.981961      1.059696
  C      -6.183231      5.685582      1.856645
  C      -6.650293      6.366365      3.009522
  C      -6.115434      3.122765      6.821876
  C      -6.844219      4.468074      6.734054
  C      -8.361259      4.399616      6.910427
  C      -9.124425      3.735693      5.791310
  N      -8.444721      3.056397      4.880413
  C      -9.139614      2.457045      3.878973
  N     -10.443766      2.477709      3.683560
  C     -11.172518      3.184566      4.600767
  C     -12.579210      3.262738      4.447430
  C     -13.339004      3.964451      5.359490
  C     -12.725172      4.612917      6.455847
  C     -11.357021      4.554566      6.627186
  C     -10.550576      3.841815      5.706253
  H      -3.628505      0.904348      2.730355
  H      -4.934313      1.388277      3.818356
  H      -4.222447     -0.730851      5.248757
  H      -3.469434     -1.272321      3.738738
  H      -5.744698     -2.143932      3.731295
  H      -6.412930     -0.591862      4.288714
  H      -7.610602      1.802318      0.789488
  H      -5.222371     -0.640565     -2.292011
  H      -3.710459     -2.627192     -2.159448
  H      -3.237697     -3.694886      0.038758
  H      -4.248678     -2.793358      2.112312
  H      -4.451237      6.162923      6.232061
  H      -2.938735      6.823202      6.865387
  H      -2.499630      7.892525      4.622967
  H      -3.979041      8.464010      5.421763
  H      -4.173360      7.998956      2.900930
  H      -3.948221      6.283910      3.258566
  H      -8.062041      8.130890      6.042193
  H      -9.980870      5.550420      2.770970
  H      -9.117863      4.349823      0.754292
  H      -6.693115      4.447377      0.182293
  H      -5.122349      5.698182      1.614799
  H      -6.326973      2.633162      7.792123
  H      -6.510418      2.473393      6.028982
  H      -6.432106      5.152770      7.492855
  H      -6.615962      4.903937      5.750424
  H      -8.623739      3.891684      7.857458
  H      -8.748410      5.425906      7.015441
  H      -8.528407      1.888572      3.170651
  H     -13.028032      2.754042      3.593690
  H     -14.421787      4.023249      5.236885
  H     -13.338813      5.166476      7.167846
  H     -10.893768      5.063012      7.472424
  N      -4.571667      3.852510      3.754630
96
Coordinates from ORCA-job orca E -6203.137634481542
  N      -3.078966      1.580694      4.666980
  Mo     -3.613946      3.481040      5.083071
  N      -4.677098      3.247293      6.700922
  C      -3.785384      3.127771      7.847874
  C      -2.469112      2.370268      7.539318
  N      -1.677234      2.932159      6.406013
  C      -0.865884      1.904972      5.717919
  C      -1.678206      1.197776      4.596991
  C      -0.946521      4.169522      6.776439
  C      -1.284377      5.224613      5.717687
  N      -2.727116      5.245396      5.500085
  H      -1.247466      1.450941      3.604592
  H      -1.569335      0.101671      4.699753
  H       0.003046      2.409886      5.274639
  H      -0.476701      1.178572      6.453184
  H      -0.914145      6.221817      6.013732
  H      -0.740617      4.968085      4.786998
  H      -1.300813      4.504356      7.761959
  H       0.138539      3.979215      6.848735
  H      -4.273749      2.546560      8.652351
  H      -3.539283      4.121506      8.274837
  H      -2.708384      1.330479      7.286665
  H      -1.854180      2.372714      8.460126
  C      -3.984343      0.858241      3.783349
  C      -4.229518     -0.618322      4.136343
  C      -5.620144     -1.078107      3.632955
  C      -5.917568     -0.610048      2.232292
  N      -6.754865      0.415341      2.110561
  C      -6.957066      0.922954      0.865530
  N      -6.422775      0.513984     -0.268283
  C      -5.585672     -0.564555     -0.177707
  C      -4.990032     -1.075447     -1.357204
  C      -4.142075     -2.162467     -1.290645
  C      -3.859131     -2.781682     -0.050298
  C      -4.424167     -2.301982      1.114648
  C      -5.295362     -1.184278      1.079510
  C      -3.431571      6.454356      5.909687
  C      -3.503169      7.571967      4.857278
  C      -4.322371      7.185064      3.622661
  C      -5.810946      7.088384      3.861431
  N      -6.314117      7.723732      4.915740
  C      -7.652625      7.625477      5.129416
  N      -8.543420      6.966607      4.417115
  C      -8.056195      6.314742      3.314330
  C      -8.952242      5.582244      2.499880
  C      -8.484253      4.913722      1.386775
  C      -7.113194      4.958430      1.043475
  C      -6.217954      5.658701      1.825891
  C      -6.664985      6.350089      2.980232
  C      -6.113962      3.129832      6.878260
  C      -6.837877      4.477089      6.770695
  C      -8.356096      4.413118      6.937261
  C      -9.112561      3.744224      5.815736
  N      -8.428331      3.055845      4.914769
  C      -9.116908      2.451101      3.911053
  N     -10.419183      2.475528      3.704152
  C     -11.152233      3.192262      4.610311
  C     -12.557327      3.275841      4.443643
  C     -13.322103      3.987043      5.344413
  C     -12.715142      4.640173      6.442432
  C     -11.348648      4.577400      6.626446
  C     -10.537206      3.855025      5.717303
  H      -3.648239      0.923149      2.726631
  H      -4.955210      1.375585      3.827840
  H      -4.196577     -0.748854      5.229713
  H      -3.441201     -1.258432      3.709517
  H      -5.697023     -2.174640      3.701852
  H      -6.394723     -0.642639      4.279366
  H      -7.635676      1.781976      0.815815
  H      -5.225820     -0.586466     -2.303598
  H      -3.686550     -2.554010     -2.202069
  H      -3.191482     -3.644618     -0.019691
  H      -4.207179     -2.785471      2.068057
  H      -4.458758      6.190515      6.202139
  H      -2.942360      6.856074      6.818956
  H      -2.482832      7.843924      4.541218
  H      -3.949342      8.461303      5.328193
  H      -4.164722      7.932850      2.824197
  H      -3.965530      6.223807      3.224959
  H      -8.026023      8.152952      6.013559
  H     -10.004215      5.557092      2.788098
  H      -9.176757      4.339088      0.768776
  H      -6.759034      4.417232      0.163869
  H      -5.160243      5.663298      1.570191
  H      -6.325297      2.655804      7.856379
  H      -6.514336      2.470338      6.096132
  H      -6.428196      5.169898      7.523875
  H      -6.602164      4.900937      5.782936
  H      -8.625283      3.910337      7.885230
  H      -8.742916      5.440155      7.034281
  H      -8.501792      1.874388      3.211882
  H     -13.001293      2.763256      3.589007
  H     -14.403732      4.049690      5.211728
  H     -13.333403      5.200923      7.145205
  H     -10.890004      5.089801      7.472469
  N      -4.659116      3.857045      3.824428
96
Coordinates from ORCA-job orca E -6203.140679042501
  N      -3.098804      1.598040      4.661416
  Mo     -3.647021      3.484193      5.106418
  N      -4.672680      3.247192      6.750208
  C      -3.778956      3.119199      7.897894
  C      -2.472370      2.353842      7.578436
  N      -1.693856      2.922546      6.442307
  C      -0.887297      1.904790      5.738367
  C      -1.697615      1.209515      4.605265
  C      -0.967559      4.162444      6.804630
  C      -1.297427      5.210906      5.738530
  N      -2.740654      5.236893      5.509643
  H      -1.256866      1.467920      3.619214
  H      -1.595212      0.112603      4.700867
  H      -0.018647      2.414375      5.300023
  H      -0.497454      1.167422      6.461807
  H      -0.928779      6.208406      6.034602
  H      -0.748470      4.949520      4.812716
  H      -1.327484      4.504599      7.785514
  H       0.118133      3.975667      6.883464
  H      -4.271914      2.545659      8.703835
  H      -3.523431      4.111818      8.321367
  H      -2.720835      1.317927      7.317029
  H      -1.848954      2.341576      8.493663
  C      -4.000244      0.868147      3.774519
  C      -4.215542     -0.616387      4.112493
  C      -5.599329     -1.097668      3.609900
  C      -5.911449     -0.624113      2.214887
  N      -6.766740      0.387734      2.104769
  C      -6.981719      0.901745      0.864289
  N      -6.444481      0.511255     -0.274322
  C      -5.588988     -0.554300     -0.195324
  C      -4.989418     -1.045963     -1.380836
  C      -4.123381     -2.119077     -1.325484
  C      -3.825640     -2.743091     -0.090771
  C      -4.394292     -2.281984      1.079545
  C      -5.284059     -1.178587      1.055524
  C      -3.432795      6.465032      5.880486
  C      -3.488577      7.553687      4.797585
  C      -4.319779      7.149473      3.577791
  C      -5.806525      7.071299      3.829355
  N      -6.295417      7.717823      4.882901
  C      -7.632114      7.628959      5.110311
  N      -8.532416      6.967556      4.411833
  C      -8.060576      6.304909      3.309270
  C      -8.968789      5.569370      2.509880
  C      -8.515553      4.890644      1.397791
  C      -7.147849      4.926662      1.040573
  C      -6.242032      5.628840      1.808795
  C      -6.673690      6.331693      2.961320
  C      -6.110928      3.139251      6.935959
  C      -6.829371      4.487870      6.803343
  C      -8.349272      4.430444      6.960227
  C      -9.099787      3.752347      5.838545
  N      -8.411308      3.051911      4.950040
  C      -9.093504      2.439091      3.945418
  N     -10.393702      2.466610      3.726847
  C     -11.131316      3.196213      4.619541
  C     -12.534281      3.285340      4.438819
  C     -13.303773      4.009532      5.325759
  C     -12.704346      4.670534      6.423665
  C     -11.339622      4.602944      6.620999
  C     -10.523189      3.867811      5.726244
  H      -3.671497      0.949788      2.716947
  H      -4.979242      1.370523      3.830872
  H      -4.175666     -0.756522      5.204408
  H      -3.417803     -1.237624      3.676111
  H      -5.653894     -2.196109      3.669024
  H      -6.379582     -0.683217      4.263049
  H      -7.674790      1.749652      0.823454
  H      -5.237109     -0.553543     -2.322507
  H      -3.664710     -2.496082     -2.241449
  H      -3.143708     -3.595067     -0.068513
  H      -4.165549     -2.769925      2.028018
  H      -4.462551      6.218556      6.178517
  H      -2.941701      6.885934      6.779384
  H      -2.465549      7.801689      4.471010
  H      -3.918231      8.461542      5.247854
  H      -4.158376      7.876269      2.760787
  H      -3.979762      6.174456      3.199767
  H      -7.994070      8.165809      5.993813
  H     -10.017895      5.550264      2.808287
  H      -9.217058      4.313218      0.792168
  H      -6.804975      4.377133      0.161961
  H      -5.186575      5.626654      1.542743
  H      -6.321412      2.683928      7.922649
  H      -6.518415      2.468689      6.166637
  H      -6.421268      5.191285      7.547767
  H      -6.586416      4.895072      5.809846
  H      -8.625031      3.937253      7.911546
  H      -8.735351      5.458735      7.044404
  H      -8.474404      1.852869      3.257284
  H     -12.973326      2.766817      3.584772
  H     -14.383840      4.076542      5.182068
  H     -13.327214      5.241130      7.114770
  H     -10.885846      5.121592      7.466286
  N      -4.748543      3.867302      3.900010
96
Coordinates from ORCA-job orca E -6203.143619969252
  N      -3.120130      1.615924      4.657020
  Mo     -3.680632      3.486702      5.133854
  N      -4.667050      3.244535      6.800272
  C      -3.771791      3.108670      7.945827
  C      -2.475591      2.337800      7.614745
  N      -1.711412      2.913043      6.476886
  C      -0.910426      1.905896      5.755394
  C      -1.719484      1.223046      4.612174
  C      -0.988917      4.155148      6.829260
  C      -1.311619      5.196586      5.754918
  N      -2.754629      5.229080      5.518589
  H      -1.270356      1.486652      3.631795
  H      -1.622578      0.125279      4.701099
  H      -0.042703      2.420459      5.320779
  H      -0.518190      1.156873      6.465429
  H      -0.942817      6.194462      6.049146
  H      -0.760034      4.929417      4.832646
  H      -1.352087      4.505226      7.806193
  H       0.097448      3.971736      6.913126
  H      -4.269456      2.541843      8.752954
  H      -3.508690      4.101051      8.365459
  H      -2.733668      1.305903      7.344820
  H      -1.843226      2.310982      8.523982
  C      -4.017395      0.879214      3.767696
  C      -4.202920     -0.612120      4.090592
  C      -5.579275     -1.115063      3.589049
  C      -5.906023     -0.636768      2.199308
  N      -6.778762      0.361197      2.099327
  C      -7.006516      0.879978      0.862971
  N      -6.466237      0.506944     -0.280017
  C      -5.592524     -0.544660     -0.211260
  C      -4.988475     -1.018071     -1.401986
  C      -4.104520     -2.076734     -1.356385
  C      -3.792562     -2.704048     -0.126719
  C      -4.365247     -2.260640      1.048276
  C      -5.273408     -1.172160      1.034061
  C      -3.433639      6.474984      5.851779
  C      -3.476303      7.535310      4.740712
  C      -4.319187      7.115307      3.535090
  C      -5.804008      7.053871      3.799545
  N      -6.278420      7.709490      4.853488
  C      -7.612810      7.629230      5.096109
  N      -8.522953      6.966566      4.411902
  C      -8.066568      6.294818      3.308870
  C      -8.986633      5.555730      2.525612
  C      -8.548854      4.867040      1.413955
  C      -7.185355      4.896505      1.040605
  C      -6.268945      5.601519      1.793252
  C      -6.684381      6.314200      2.944990
  C      -6.106153      3.145600      6.993909
  C      -6.819067      4.494733      6.834217
  C      -8.340688      4.445393      6.979864
  C      -9.084268      3.759170      5.857887
  N      -8.391080      3.046674      4.982962
  C      -9.066754      2.427271      3.977466
  N     -10.364564      2.459031      3.746246
  C     -11.107028      3.201499      4.624438
  C     -12.507361      3.296857      4.428783
  C     -13.281408      4.034380      5.300925
  C     -12.689645      4.702901      6.398478
  C     -11.327167      4.629387      6.609954
  C     -10.506043      3.880923      5.730647
  H      -3.697241      0.977753      2.709067
  H      -5.002886      1.365395      3.836528
  H      -4.155681     -0.761612      5.180972
  H      -3.396303     -1.214355      3.644666
  H      -5.612054     -2.214673      3.638398
  H      -6.364512     -0.721564      4.248968
  H      -7.714329      1.715903      0.830229
  H      -5.247550     -0.523447     -2.339464
  H      -3.642424     -2.439870     -2.276229
  H      -3.096545     -3.544595     -0.111765
  H      -4.125294     -2.751813      1.992307
  H      -4.465283      6.245947      6.156097
  H      -2.939075      6.914331      6.739618
  H      -2.451222      7.760236      4.404309
  H      -3.890105      8.460011      5.170922
  H      -4.155200      7.822163      2.701428
  H      -3.993831      6.128495      3.175061
  H      -7.961589      8.173218      5.980422
  H     -10.032244      5.541677      2.835847
  H      -9.259004      4.286449      0.821694
  H      -6.854511      4.339427      0.162387
  H      -5.216598      5.594073      1.514928
  H      -6.315484      2.710684      7.989372
  H      -6.520561      2.463350      6.238591
  H      -6.412970      5.208869      7.569330
  H      -6.568471      4.883422      5.835257
  H      -8.625305      3.962775      7.933825
  H      -8.724361      5.475518      7.050074
  H      -8.444107      1.832108      3.300681
  H     -12.941084      2.772645      3.575424
  H     -14.359597      4.106302      5.145533
  H     -13.316464      5.283773      7.077294
  H     -10.878696      5.153883      7.454539
  N      -4.839537      3.876970      3.984171
96
Coordinates from ORCA-job orca E -6203.146407409494
  N      -3.141726      1.634007      4.652628
  Mo     -3.712413      3.490994      5.161203
  N      -4.663501      3.245276      6.849374
  C      -3.769649      3.100638      7.994194
  C      -2.483941      2.323367      7.654168
  N      -1.731702      2.902732      6.514828
  C      -0.936895      1.904548      5.776986
  C      -1.742837      1.234409      4.623058
  C      -1.011218      4.146972      6.854311
  C      -1.321721      5.180134      5.768063
  N      -2.763508      5.222877      5.522796
  H      -1.282204      1.501063      3.649176
  H      -1.653147      0.135844      4.707611
  H      -0.068223      2.422349      5.347728
  H      -0.544993      1.143506      6.474609
  H      -0.949873      6.177751      6.059239
  H      -0.767329      4.904237      4.850560
  H      -1.378243      4.508150      7.825717
  H       0.075280      3.964484      6.946118
  H      -4.274516      2.540717      8.801257
  H      -3.499645      4.092564      8.411258
  H      -2.753361      1.296096      7.375794
  H      -1.843705      2.281279      8.557757
  C      -4.034089      0.893549      3.758851
  C      -4.194616     -0.602898      4.068199
  C      -5.563339     -1.124510      3.566202
  C      -5.902647     -0.643198      2.180801
  N      -6.792499      0.340380      2.088886
  C      -7.033466      0.860714      0.855735
  N      -6.490013      0.503095     -0.290665
  C      -5.597754     -0.533318     -0.230108
  C      -4.988739     -0.990094     -1.424884
  C      -4.086760     -2.033519     -1.386948
  C      -3.761122     -2.661741     -0.161465
  C      -4.338352     -2.234448      1.017283
  C      -5.264719     -1.161583      1.010825
  C      -3.426738      6.486623      5.819128
  C      -3.454805      7.517286      4.679934
  C      -4.310242      7.082839      3.488671
  C      -5.793345      7.039594      3.765784
  N      -6.252831      7.705823      4.819231
  C      -7.585033      7.635619      5.077257
  N      -8.505762      6.972684      4.408289
  C      -8.064774      6.289990      3.305877
  C      -8.996746      5.547243      2.540081
  C      -8.574784      4.845762      1.430392
  C      -7.215408      4.866489      1.041037
  C      -6.288163      5.575298      1.776322
  C      -6.687221      6.300080      2.925740
  C      -6.103677      3.157019      7.051254
  C      -6.813889      4.504309      6.863424
  C      -8.336885      4.458184      6.999247
  C      -9.073083      3.761341      5.878501
  N      -8.374791      3.038928      5.016052
  C      -9.044175      2.411490      4.011062
  N     -10.340064      2.443249      3.770221
  C     -11.087922      3.196008      4.635200
  C     -12.486192      3.293194      4.427325
  C     -13.265094      4.041992      5.285568
  C     -12.680617      4.720067      6.380972
  C     -11.319945      4.644634      6.604002
  C     -10.493867      3.885190      5.738987
  H      -3.719660      1.007655      2.700039
  H      -5.024533      1.365285      3.836549
  H      -4.142740     -0.760735      5.157207
  H      -3.379395     -1.188206      3.615735
  H      -5.576777     -2.224647      3.607398
  H      -6.353187     -0.749603      4.231322
  H      -7.756874      1.683272      0.829435
  H      -5.258818     -0.495216     -2.358945
  H      -3.620790     -2.384002     -2.309729
  H      -3.051033     -3.490267     -0.152174
  H      -4.087552     -2.727017      1.957553
  H      -4.460788      6.278265      6.128762
  H      -2.927821      6.944141      6.695232
  H      -2.427512      7.716741      4.334383
  H      -3.851226      8.459041      5.088916
  H      -4.143464      7.768949      2.638699
  H      -3.999360      6.084782      3.146776
  H      -7.920007      8.188506      5.961275
  H     -10.038909      5.540094      2.862088
  H      -9.293771      4.261686      0.852797
  H      -6.896792      4.299620      0.164721
  H      -5.238732      5.560750      1.485888
  H      -6.310746      2.744845      8.056264
  H      -6.525369      2.461101      6.312575
  H      -6.411449      5.230983      7.587878
  H      -6.558528      4.873981      5.858819
  H      -8.628645      3.986183      7.956092
  H      -8.720719      5.489031      7.054770
  H      -8.417653      1.810071      3.343672
  H     -12.914863      2.761904      3.575959
  H     -14.341709      4.115644      5.120488
  H     -13.311594      5.309591      7.048243
  H     -10.876665      5.176410      7.446601
  N      -4.920382      3.889022      4.067452
96
Coordinates from ORCA-job orca E -6203.148990906327
  N      -3.162039      1.652897      4.651029
  Mo     -3.739882      3.496100      5.191310
  N      -4.662107      3.246926      6.896530
  C      -3.771902      3.093567      8.040920
  C      -2.496064      2.309651      7.694288
  N      -1.752697      2.891667      6.554838
  C      -0.963581      1.900869      5.803365
  C      -1.765994      1.243956      4.639579
  C      -1.032633      4.136998      6.882047
  C      -1.325830      5.160067      5.780395
  N      -2.765065      5.215505      5.523919
  H      -1.291866      1.510747      3.672328
  H      -1.686568      0.144454      4.721118
  H      -0.092247      2.420148      5.381214
  H      -0.574424      1.128355      6.490171
  H      -0.948599      6.157206      6.066158
  H      -0.766871      4.871536      4.870000
  H      -1.405342      4.512345      7.845792
  H       0.053044      3.953441      6.985672
  H      -4.283440      2.539212      8.847561
  H      -3.494596      4.083793      8.458108
  H      -2.777467      1.287461      7.407879
  H      -1.850061      2.252111      8.593338
  C      -4.045076      0.908669      3.751430
  C      -4.183048     -0.592063      4.048337
  C      -5.543575     -1.131180      3.544051
  C      -5.895014     -0.645775      2.163349
  N      -6.802390      0.322512      2.080979
  C      -7.057765      0.845211      0.851875
  N      -6.511375      0.505274     -0.298433
  C      -5.599782     -0.514321     -0.247762
  C      -4.985823     -0.951476     -1.447224
  C      -4.065035     -1.978550     -1.418973
  C      -3.725026     -2.609364     -0.199079
  C      -4.306653     -2.200972      0.984278
  C      -5.251823     -1.145058      0.987890
  C      -3.411985      6.497260      5.778794
  C      -3.428141      7.493928      4.609425
  C      -4.299689      7.042945      3.435891
  C      -5.780644      7.020608      3.729135
  N      -6.220778      7.700661      4.781804
  C      -7.549824      7.643190      5.059132
  N      -8.484283      6.980036      4.410705
  C      -8.063065      6.283796      3.308904
  C      -9.009917      5.538008      2.565252
  C      -8.608751      4.821714      1.457171
  C      -7.255277      4.830961      1.046995
  C      -6.313556      5.543062      1.760346
  C      -6.691485      6.281807      2.907751
  C      -6.103680      3.169792      7.103589
  C      -6.812339      4.513259      6.885967
  C      -8.336467      4.469169      7.013198
  C      -9.067707      3.759657      5.896847
  N      -8.367376      3.022678      5.048648
  C      -9.032509      2.386516      4.046518
  N     -10.326407      2.420922      3.797098
  C     -11.076788      3.187635      4.647628
  C     -12.472976      3.288603      4.428812
  C     -13.254173      4.052285      5.271640
  C     -12.674032      4.741704      6.362040
  C     -11.315419      4.662589      6.595441
  C     -10.487079      3.888124      5.746138
  H      -3.732683      1.036807      2.693536
  H      -5.040174      1.365497      3.834081
  H      -4.129051     -0.758547      5.135978
  H      -3.358658     -1.160711      3.591365
  H      -5.538394     -2.231633      3.576588
  H      -6.338158     -0.775033      4.213790
  H      -7.797842      1.652596      0.833201
  H      -5.267352     -0.455193     -2.376983
  H      -3.595234     -2.314034     -2.345241
  H      -3.000268     -3.424934     -0.197258
  H      -4.044486     -2.695893      1.920010
  H      -4.448589      6.313084      6.094279
  H      -2.906983      6.975551      6.639995
  H      -2.399775      7.665760      4.252324
  H      -3.805602      8.453258      4.994527
  H      -4.132269      7.706081      2.568265
  H      -4.003348      6.033730      3.113796
  H      -7.867553      8.207717      5.941966
  H     -10.047142      5.540060      2.902843
  H      -9.339309      4.234770      0.897683
  H      -6.953024      4.252819      0.172237
  H      -5.268570      5.520103      1.453989
  H      -6.308941      2.782768      8.118688
  H      -6.530777      2.457654      6.383581
  H      -6.414665      5.253861      7.598633
  H      -6.552687      4.863046      5.875476
  H      -8.635996      4.010004      7.973820
  H      -8.718861      5.501270      7.052232
  H      -8.404454      1.775603      3.388691
  H     -12.898445      2.748599      3.581530
  H     -14.329094      4.129087      5.097959
  H     -13.306870      5.342882      7.016906
  H     -10.875525      5.203057      7.434001
  N      -4.987557      3.902704      4.147815
96
Coordinates from ORCA-job orca E -6203.151335552495
  N      -3.180699      1.673263      4.650465
  Mo     -3.765476      3.503122      5.222726
  N      -4.664728      3.251149      6.943619
  C      -3.779988      3.087974      8.090250
  C      -2.512520      2.297423      7.738970
  N      -1.775949      2.881104      6.599212
  C      -0.991429      1.896625      5.836376
  C      -1.788094      1.252927      4.661579
  C      -1.055259      4.127654      6.912849
  C      -1.325882      5.137433      5.792134
  N      -2.761277      5.208618      5.520801
  H      -1.297673      1.517404      3.701915
  H      -1.720366      0.152707      4.741629
  H      -0.115779      2.416070      5.423474
  H      -0.607493      1.113351      6.514038
  H      -0.940335      6.133286      6.071081
  H      -0.761066      4.831898      4.891365
  H      -1.435921      4.520618      7.866262
  H       0.028903      3.942051      7.032277
  H      -4.299026      2.537909      8.894921
  H      -3.496810      4.075576      8.510288
  H      -2.805465      1.280426      7.444583
  H      -1.862681      2.224863      8.634452
  C      -4.052400      0.927471      3.742098
  C      -4.172043     -0.576924      4.027480
  C      -5.524982     -1.130454      3.519719
  C      -5.887190     -0.641129      2.143562
  N      -6.811286      0.312093      2.070661
  C      -7.081894      0.835354      0.845350
  N      -6.533605      0.511956     -0.308749
  C      -5.603000     -0.490354     -0.267564
  C      -4.985062     -0.908896     -1.471494
  C      -4.046286     -1.919644     -1.452616
  C      -3.691805     -2.552213     -0.238119
  C      -4.276795     -2.161712      0.949643
  C      -5.239843     -1.122474      0.962949
  C      -3.388448      6.508792      5.732468
  C      -3.391631      7.466654      4.530731
  C      -4.281676      6.998654      3.377475
  C      -5.759815      7.001162      3.686626
  N      -6.179151      7.698918      4.736014
  C      -7.505076      7.657840      5.031956
  N      -8.454366      6.995416      4.405062
  C      -8.054386      6.282212      3.305998
  C      -9.017587      5.535289      2.585358
  C      -8.638253      4.800767      1.481485
  C      -7.290299      4.792718      1.052486
  C      -6.332865      5.506651      1.742765
  C      -6.688727      6.263221      2.885373
  C      -6.108059      3.185364      7.155306
  C      -6.817036      4.523102      6.909399
  C      -8.342035      4.476678      7.029107
  C      -9.068070      3.753531      5.917849
  N      -8.365936      3.003437      5.082820
  C      -9.027215      2.357867      4.084226
  N     -10.319708      2.392122      3.828457
  C     -11.072594      3.170404      4.666244
  C     -12.467422      3.271494      4.439556
  C     -13.250882      4.047888      5.268535
  C     -12.674321      4.750174      6.352421
  C     -11.317092      4.670923      6.593318
  C     -10.486487      3.883601      5.758243
  H      -3.738434      1.068044      2.686180
  H      -5.050917      1.371403      3.826059
  H      -4.118439     -0.751225      5.113939
  H      -3.339045     -1.131155      3.568753
  H      -5.504273     -2.230864      3.544302
  H      -6.323550     -0.790935      4.193197
  H      -7.838755      1.626736      0.833712
  H      -5.278133     -0.412029     -2.397160
  H      -3.573463     -2.240857     -2.382299
  H      -2.953085     -3.354982     -0.243588
  H      -4.003292     -2.658214      1.881073
  H      -4.427705      6.353434      6.054007
  H      -2.875113      7.008109      6.576540
  H      -2.362740      7.606427      4.161388
  H      -3.747108      8.444744      4.888359
  H      -4.113628      7.636331      2.491245
  H      -4.001691      5.977870      3.077527
  H      -7.805054      8.236829      5.911630
  H     -10.050122      5.551069      2.937162
  H      -9.381477      4.212538      0.940534
  H      -7.005121      4.200380      0.181527
  H      -5.292181      5.470940      1.421928
  H      -6.310908      2.824137      8.180126
  H      -6.540285      2.456577      6.455099
  H      -6.425667      5.277496      7.610752
  H      -6.554453      4.855373      5.893987
  H      -8.647243      4.028873      7.993165
  H      -8.725302      5.508838      7.052856
  H      -8.397709      1.739606      3.433971
  H     -12.890257      2.721636      3.597398
  H     -14.324689      4.124950      5.088644
  H     -13.308861      5.361355      6.996169
  H     -10.880083      5.221228      7.426864
  N      -5.042173      3.919150      4.220936
96
Coordinates from ORCA-job orca E -6203.153417828414
  N      -3.199048      1.695807      4.651815
  Mo     -3.790574      3.510233      5.257634
  N      -4.669938      3.253999      6.992173
  C      -3.789578      3.081881      8.139750
  C      -2.528982      2.286577      7.782774
  N      -1.799811      2.872440      6.642530
  C      -1.018551      1.894129      5.870003
  C      -1.810186      1.263154      4.686026
  C      -1.078665      4.119751      6.944415
  C      -1.324502      5.112776      5.802793
  N      -2.755193      5.200052      5.515210
  H      -1.304009      1.522873      3.733307
  H      -1.755553      0.162294      4.765193
  H      -0.138581      2.413408      5.466451
  H      -0.639601      1.101599      6.539618
  H      -0.928971      6.107192      6.072515
  H      -0.753174      4.786497      4.913732
  H      -1.469695      4.532159      7.885219
  H       0.003350      3.932665      7.082648
  H      -4.312733      2.533372      8.942952
  H      -3.501330      4.066186      8.564557
  H      -2.831674      1.274156      7.481744
  H      -1.875578      2.200969      8.674762
  C      -4.055788      0.947627      3.733734
  C      -4.157995     -0.560339      4.007972
  C      -5.503422     -1.127993      3.496480
  C      -5.876643     -0.633898      2.125208
  N      -6.817125      0.303980      2.062857
  C      -7.103630      0.828530      0.841949
  N      -6.554252      0.522893     -0.316508
  C      -5.604802     -0.461562     -0.285854
  C      -4.983538     -0.860109     -1.494789
  C      -4.027030     -1.854212     -1.486631
  C      -3.657458     -2.489582     -0.278203
  C      -4.244967     -2.118223      0.914459
  C      -5.225808     -1.096067      0.938912
  C      -3.360698      6.518513      5.679571
  C      -3.354125      7.432353      4.443767
  C      -4.266202      6.945402      3.315410
  C      -5.740132      6.975597      3.643364
  N      -6.134787      7.693750      4.688594
  C      -7.456201      7.671860      5.005989
  N      -8.422353      7.010279      4.404586
  C      -8.047983      6.278293      3.308693
  C      -9.030025      5.531343      2.614517
  C      -8.676642      4.777635      1.514974
  C      -7.336279      4.749921      1.063932
  C      -6.360523      5.464076      1.727900
  C      -6.690006      6.239478      2.865658
  C      -6.114940      3.197344      7.207630
  C      -6.824567      4.528856      6.936337
  C      -8.350183      4.480909      7.047607
  C      -9.069590      3.746168      5.940045
  N      -8.365049      2.981703      5.120291
  C      -9.021012      2.329082      4.123372
  N     -10.311236      2.366214      3.857267
  C     -11.066967      3.156692      4.680621
  C     -12.459597      3.260076      4.443045
  C     -13.245926      4.049543      5.256559
  C     -12.674302      4.763231      6.335218
  C     -11.319425      4.681855      6.586639
  C     -10.485991      3.880730      5.767804
  H      -3.738251      1.099603      2.680458
  H      -5.057972      1.378405      3.817881
  H      -4.105344     -0.742196      5.093314
  H      -3.316746     -1.100631      3.548008
  H      -5.467859     -2.228225      3.512486
  H      -6.305586     -0.805282      4.173920
  H      -7.877026      1.603496      0.838208
  H      -5.288430     -0.361954     -2.415918
  H      -3.551879     -2.160011     -2.420262
  H      -2.904886     -3.279249     -0.292289
  H      -3.959782     -2.616608      1.841338
  H      -4.401555      6.395433      6.008991
  H      -2.835850      7.039850      6.502747
  H      -2.326494      7.536806      4.059764
  H      -3.685092      8.429694      4.770357
  H      -4.100304      7.555208      2.409423
  H      -4.003170      5.913081      3.040204
  H      -7.735549      8.267314      5.881609
  H     -10.056216      5.562964      2.982982
  H      -9.434452      4.189380      0.994790
  H      -7.071694      4.142836      0.196645
  H      -5.325912      5.414304      1.390065
  H      -6.314995      2.861247      8.241531
  H      -6.550838      2.451742      6.527299
  H      -6.439767      5.295433      7.628116
  H      -6.558595      4.846095      5.917316
  H      -8.662904      4.043330      8.013979
  H      -8.732579      5.513631      7.057190
  H      -8.390094      1.702747      3.481824
  H     -12.878308      2.701270      3.604944
  H     -14.317962      4.128321      5.068289
  H     -13.310580      5.384974      6.966870
  H     -10.886694      5.240887      7.416328
  N      -5.088160      3.935207      4.288245
96
Coordinates from ORCA-job orca E -6203.155252238365
  N      -3.214098      1.718247      4.653565
  Mo     -3.813129      3.517403      5.292148
  N      -4.678445      3.258847      7.039658
  C      -3.802541      3.077633      8.189947
  C      -2.546905      2.278104      7.829689
  N      -1.824237      2.865047      6.687942
  C      -1.044761      1.891256      5.908697
  C      -1.829600      1.271387      4.715090
  C      -1.103033      4.114039      6.977558
  C      -1.320760      5.086605      5.812703
  N      -2.746023      5.191246      5.505061
  H      -1.305771      1.523274      3.769919
  H      -1.789289      0.170274      4.795746
  H      -0.159311      2.409115      5.515532
  H      -0.672563      1.090940      6.572717
  H      -0.913755      6.079164      6.071627
  H      -0.742609      4.735883      4.937787
  H      -1.507849      4.548013      7.902610
  H      -0.023957      3.925766      7.139068
  H      -4.330149      2.529588      8.990492
  H      -3.511236      4.058536      8.620356
  H      -2.857551      1.269242      7.523832
  H      -1.890928      2.182346      8.718865
  C      -4.056345      0.969802      3.722816
  C      -4.146038     -0.541051      3.987317
  C      -5.485255     -1.119078      3.472060
  C      -5.868494     -0.620182      2.105607
  N      -6.824870      0.302191      2.053084
  C      -7.127358      0.826318      0.836101
  N      -6.577294      0.537263     -0.326289
  C      -5.609038     -0.428733     -0.305083
  C      -4.984537     -0.808243     -1.518453
  C      -4.010531     -1.785069     -1.519888
  C      -3.626006     -2.421736     -0.316904
  C      -4.216033     -2.068611      0.879972
  C      -5.214483     -1.063979      0.914283
  C      -3.326630      6.527040      5.621524
  C      -3.310102      7.392936      4.351511
  C      -4.245304      6.887866      3.250292
  C      -5.714229      6.947875      3.595495
  N      -6.084906      7.687466      4.634446
  C      -7.402122      7.687741      4.970073
  N      -8.384982      7.029541      4.392006
  C      -8.035610      6.277840      3.301229
  C      -9.036727      5.534569      2.630714
  C      -8.708082      4.761126      1.537409
  C      -7.374294      4.709279      1.069169
  C      -6.380423      5.420194      1.709430
  C      -6.684616      6.215244      2.840223
  C      -6.124826      3.210301      7.262366
  C      -6.837496      4.534635      6.968695
  C      -8.363717      4.481828      7.072686
  C      -9.075873      3.735761      5.967916
  N      -8.367859      2.960248      5.161502
  C      -9.017790      2.301482      4.164884
  N     -10.306173      2.338465      3.889539
  C     -11.066099      3.136920      4.701048
  C     -12.457111      3.239110      4.454323
  C     -13.247427      4.037897      5.254696
  C     -12.681426      4.762822      6.328695
  C     -11.328265      4.682721      6.588992
  C     -10.490807      3.871592      5.784242
  H      -3.732274      1.131293      2.673002
  H      -5.061481      1.390357      3.804619
  H      -4.095620     -0.728863      5.071774
  H      -3.298176     -1.070887      3.527838
  H      -5.438005     -2.218916      3.480082
  H      -6.289891     -0.810740      4.153110
  H      -7.917313      1.584165      0.839275
  H      -5.301109     -0.309990     -2.435456
  H      -3.533073     -2.076187     -2.457022
  H      -2.859731     -3.197819     -0.338737
  H      -3.919216     -2.567552      1.802768
  H      -4.368149      6.438102      5.958650
  H      -2.788730      7.069530      6.422002
  H      -2.284616      7.458065      3.953586
  H      -3.613526      8.409504      4.643964
  H      -4.081803      7.468239      2.324785
  H      -4.000335      5.844282      3.001719
  H      -7.661667      8.300778      5.839771
  H     -10.057611      5.585678      3.011847
  H      -9.480443      4.175862      1.035557
  H      -7.129377      4.087152      0.207007
  H      -5.351148      5.353172      1.358132
  H      -6.319421      2.898892      8.305038
  H      -6.565150      2.448080      6.603340
  H      -6.460006      5.312546      7.651978
  H      -6.569542      4.839621      5.946746
  H      -8.681450      4.051912      8.040923
  H      -8.747965      5.513853      7.070720
  H      -8.384202      1.671199      3.529632
  H     -12.871251      2.671692      3.619736
  H     -14.318196      4.115599      5.059461
  H     -13.320364      5.392179      6.949976
  H     -10.900211      5.250233      7.415333
  N      -5.122569      3.950841      4.343951
96
Coordinates from ORCA-job orca E -6203.154337235415
  N      -3.238044      1.736270      4.654940
  Mo     -3.839285      3.522044      5.329788
  N      -4.687003      3.263344      7.084796
  C      -3.811678      3.073674      8.240084
  C      -2.561745      2.268913      7.877025
  N      -1.846893      2.850380      6.730785
  C      -1.076889      1.872072      5.949950
  C      -1.857806      1.264263      4.748072
  C      -1.122501      4.101854      7.003571
  C      -1.314332      5.057064      5.816657
  N      -2.738687      5.185012      5.487226
  H      -1.313983      1.504852      3.810916
  H      -1.838004      0.161653      4.833826
  H      -0.181195      2.379505      5.569800
  H      -0.722499      1.063765      6.611747
  H      -0.895882      6.048334      6.063685
  H      -0.729674      4.680643      4.953540
  H      -1.539106      4.558143      7.915640
  H      -0.045256      3.906869      7.185488
  H      -4.343096      2.527359      9.037856
  H      -3.518957      4.052090      8.674347
  H      -2.882699      1.262612      7.569544
  H      -1.900031      2.165748      8.760159
  C      -4.067908      0.972850      3.711282
  C      -4.138093     -0.550371      3.968974
  C      -5.469478     -1.145641      3.442804
  C      -5.857367     -0.632278      2.080633
  N      -6.840547      0.277810      2.040405
  C      -7.157405      0.810713      0.825149
  N      -6.591951      0.545029     -0.343786
  C      -5.590304     -0.405922     -0.333885
  C      -4.945669     -0.759049     -1.554856
  C      -3.939952     -1.722247     -1.568484
  C      -3.542466     -2.370664     -0.370720
  C      -4.151474     -2.042746      0.833389
  C      -5.182856     -1.052178      0.880411
  C      -3.296916      6.540693      5.566363
  C      -3.275725      7.370783      4.268201
  C      -4.235876      6.860034      3.188080
  C      -5.706145      6.945881      3.549218
  N      -6.057592      7.706544      4.587648
  C      -7.374381      7.730215      4.942461
  N      -8.373345      7.073868      4.383251
  C      -8.045384      6.303242      3.291533
  C      -9.066633      5.564363      2.640594
  C      -8.761500      4.773100      1.548190
  C      -7.432171      4.697786      1.059936
  C      -6.418474      5.405093      1.680130
  C      -6.698500      6.218166      2.810730
  C      -6.132016      3.217367      7.319991
  C      -6.841695      4.536460      6.992502
  C      -8.366341      4.491161      7.095325
  C      -9.076407      3.717398      6.006941
  N      -8.369281      2.902226      5.225587
  C      -9.019800      2.223092      4.241233
  N     -10.309162      2.272773      3.959154
  C     -11.068066      3.107359      4.747356
  C     -12.458857      3.221380      4.492354
  C     -13.246307      4.058835      5.267252
  C     -12.678138      4.811694      6.323413
  C     -11.325849      4.719443      6.592062
  C     -10.491106      3.869164      5.813132
  H      -3.729483      1.139523      2.668071
  H      -5.089159      1.376939      3.784516
  H      -4.096714     -0.743065      5.052798
  H      -3.274661     -1.067981      3.514508
  H      -5.405988     -2.253491      3.439089
  H      -6.287196     -0.854858      4.127455
  H      -7.972106      1.554070      0.836841
  H      -5.272764     -0.252365     -2.468013
  H      -3.447388     -1.993621     -2.511157
  H      -2.751634     -3.136168     -0.401633
  H      -3.843851     -2.551612      1.751949
  H      -4.339543      6.478096      5.915107
  H      -2.745646      7.101284      6.346572
  H      -2.249266      7.405184      3.855639
  H      -3.554966      8.402069      4.538419
  H      -4.071433      7.422354      2.252619
  H      -4.010053      5.808784      2.951627
  H      -7.620044      8.368188      5.808497
  H     -10.084523      5.633661      3.035873
  H      -9.549837      4.191690      1.061550
  H      -7.206088      4.061577      0.198828
  H      -5.392985      5.320197      1.314213
  H      -6.319425      2.934687      8.373629
  H      -6.577917      2.433199      6.684511
  H      -6.466457      5.334589      7.656578
  H      -6.571840      4.814122      5.959839
  H      -8.689902      4.087863      8.077431
  H      -8.747176      5.529572      7.060154
  H      -8.386329      1.566834      3.621528
  H     -12.876497      2.630923      3.671958
  H     -14.316195      4.146223      5.065134
  H     -13.315682      5.470882      6.923495
  H     -10.894931      5.307324      7.404694
  N      -5.187237      3.938656      4.387734
96
Coordinates from ORCA-job orca E -6203.156673816906
  N      -3.257246      1.764944      4.662565
  Mo     -3.861364      3.536934      5.372699
  N      -4.688942      3.278913      7.145463
  C      -3.812318      3.085156      8.300293
  C      -2.569862      2.272243      7.924733
  N      -1.866350      2.846538      6.768789
  C      -1.103850      1.866906      5.980645
  C      -1.885017      1.270035      4.776585
  C      -1.132456      4.098686      7.023178
  C      -1.301876      5.032072      5.817352
  N      -2.721114      5.183177      5.472319
  H      -1.330213      1.495280      3.845079
  H      -1.881190      0.167496      4.865453
  H      -0.206322      2.366391      5.602993
  H      -0.752532      1.055351      6.634382
  H      -0.862062      6.019419      6.049597
  H      -0.719779      4.625398      4.966086
  H      -1.553949      4.579193      7.920597
  H      -0.057286      3.901856      7.218848
  H      -4.343890      2.541572      9.099699
  H      -3.517227      4.063461      8.733196
  H      -2.898959      1.267817      7.622455
  H      -1.902574      2.165824      8.801842
  C      -4.076397      1.000818      3.708612
  C      -4.143909     -0.519783      3.961202
  C      -5.469332     -1.109034      3.426396
  C      -5.856555     -0.598919      2.064016
  N      -6.825980      0.295831      2.020643
  C      -7.150420      0.817197      0.805571
  N      -6.601598      0.556732     -0.360721
  C      -5.610247     -0.374967     -0.346263
  C      -4.981373     -0.721625     -1.562967
  C      -3.987307     -1.667545     -1.572208
  C      -3.584337     -2.306322     -0.373727
  C      -4.178178     -1.984745      0.825505
  C      -5.198726     -1.010227      0.867757
  C      -3.248909      6.549520      5.505862
  C      -3.230386      7.335837      4.192702
  C      -4.219917      6.816758      3.143846
  C      -5.684645      6.931789      3.520201
  N      -6.019177      7.699440      4.551220
  C      -7.331416      7.738189      4.918226
  N      -8.337002      7.084008      4.377906
  C      -8.027575      6.310810      3.291269
  C      -9.058860      5.581193      2.656545
  C      -8.771488      4.793427      1.568443
  C      -7.450915      4.709291      1.068421
  C      -6.429388      5.407368      1.671709
  C      -6.690671      6.217156      2.797794
  C      -6.133080      3.231508      7.382916
  C      -6.849116      4.536640      7.020349
  C      -8.375369      4.484252      7.099288
  C      -9.072564      3.691093      6.015155
  N      -8.360524      2.872340      5.258521
  C      -9.003005      2.182194      4.278329
  N     -10.290488      2.223731      3.979425
  C     -11.054156      3.055494      4.744834
  C     -12.441591      3.152863      4.477573
  C     -13.230445      3.985901      5.231477
  C     -12.669221      4.751611      6.278069
  C     -11.321121      4.676057      6.558540
  C     -10.483682      3.829965      5.802817
  H      -3.727414      1.168812      2.670538
  H      -5.099637      1.399885      3.775632
  H      -4.105983     -0.713266      5.045401
  H      -3.284522     -1.033590      3.512456
  H      -5.411588     -2.206433      3.419676
  H      -6.278909     -0.820034      4.107677
  H      -7.954778      1.542633      0.813760
  H      -5.311675     -0.223660     -2.476898
  H      -3.506252     -1.933395     -2.512110
  H      -2.801450     -3.058920     -0.401741
  H      -3.866367     -2.484847      1.744661
  H      -4.287477      6.516486      5.867006
  H      -2.676113      7.121366      6.259688
  H      -2.209702      7.333521      3.766746
  H      -3.480771      8.376548      4.436743
  H      -4.060510      7.354327      2.197185
  H      -4.014473      5.758694      2.928075
  H      -7.566946      8.389509      5.773090
  H     -10.069431      5.658138      3.061717
  H      -9.563307      4.221081      1.092578
  H      -7.239112      4.075984      0.210521
  H      -5.412179      5.321389      1.292794
  H      -6.316014      2.975998      8.442209
  H      -6.578432      2.431202      6.767351
  H      -6.486340      5.345924      7.674378
  H      -6.568912      4.795170      5.988518
  H      -8.701919      4.094483      8.082108
  H      -8.763465      5.517146      7.042960
  H      -8.365802      1.524216      3.675663
  H     -12.855677      2.551046      3.666120
  H     -14.296937      4.059419      5.019707
  H     -13.306521      5.407065      6.862202
  H     -10.896368      5.271643      7.365252
  N      -5.210871      3.927171      4.441683
96
Coordinates from ORCA-job orca E -6203.144309785868
  N      -3.238117      1.774009      4.660854
  Mo     -3.852563      3.529150      5.367741
  N      -4.685556      3.271065      7.134717
  C      -3.820901      3.077822      8.292484
  C      -2.575487      2.270466      7.931129
  N      -1.871891      2.854251      6.778117
  C      -1.093633      1.886114      5.993484
  C      -1.868744      1.287370      4.784705
  C      -1.153998      4.110490      7.037528
  C      -1.318698      5.036439      5.830344
  N      -2.730117      5.171744      5.472595
  H      -1.308763      1.517324      3.855025
  H      -1.867050      0.188403      4.872806
  H      -0.190377      2.399324      5.615822
  H      -0.735954      1.070875      6.653160
  H      -0.891475      6.025558      6.065550
  H      -0.728235      4.634807      4.986308
  H      -1.589684      4.588456      7.925162
  H      -0.082610      3.928134      7.245847
  H      -4.356312      2.532734      9.090490
  H      -3.523880      4.053753      8.725890
  H      -2.897391      1.266571      7.630037
  H      -1.913045      2.165422      8.813936
  C      -4.046181      1.029159      3.702782
  C      -4.125711     -0.471043      3.945565
  C      -5.448738     -1.068996      3.413600
  C      -5.852291     -0.573204      2.054396
  N      -6.854196      0.323027      2.011275
  C      -7.188081      0.832577      0.801376
  N      -6.626802      0.560323     -0.362178
  C      -5.609475     -0.372340     -0.349302
  C      -4.971883     -0.731026     -1.563348
  C      -3.961326     -1.677814     -1.572820
  C      -3.554623     -2.303383     -0.377526
  C      -4.153618     -1.969300      0.819286
  C      -5.187262     -0.995491      0.862019
  C      -3.259936      6.529473      5.487348
  C      -3.237598      7.304948      4.172764
  C      -4.210441      6.783606      3.124517
  C      -5.660515      6.894763      3.502096
  N      -5.978246      7.641114      4.537651
  C      -7.276142      7.659556      4.916884
  N      -8.284840      7.005256      4.388499
  C      -7.993125      6.255115      3.296823
  C      -9.029374      5.519283      2.675653
  C      -8.759963      4.743596      1.579304
  C      -7.454005      4.685367      1.059746
  C      -6.426121      5.390696      1.650806
  C      -6.668542      6.182391      2.785932
  C      -6.135902      3.226062      7.365323
  C      -6.860512      4.524294      7.022235
  C      -8.389571      4.463480      7.103135
  C      -9.099561      3.693200      6.011404
  N      -8.399742      2.889046      5.234153
  C      -9.054035      2.217115      4.247233
  N     -10.339221      2.258749      3.959873
  C     -11.092160      3.084073      4.746581
  C     -12.484434      3.197511      4.493864
  C     -13.268877      4.041665      5.267032
  C     -12.695946      4.795618      6.320326
  C     -11.341952      4.698400      6.588721
  C     -10.510940      3.844106      5.812039
  H      -3.697373      1.200097      2.667256
  H      -5.052418      1.442283      3.771027
  H      -4.083570     -0.663768      5.027896
  H      -3.272338     -0.982601      3.493787
  H      -5.379292     -2.163389      3.409801
  H      -6.257574     -0.786473      4.092966
  H      -8.029118      1.558681      0.810354
  H      -5.308700     -0.242764     -2.474190
  H      -3.475932     -1.953258     -2.510565
  H      -2.763389     -3.056024     -0.405944
  H      -3.839369     -2.458495      1.735818
  H      -4.297550      6.501657      5.835788
  H      -2.695420      7.105124      6.239343
  H      -2.225160      7.300552      3.761139
  H      -3.492581      8.344383      4.403320
  H      -4.059973      7.313875      2.171681
  H      -3.997522      5.726957      2.921242
  H      -7.493349      8.275670      5.779230
  H     -10.028119      5.577109      3.096403
  H      -9.556626      4.162084      1.113021
  H      -7.256998      4.063438      0.193459
  H      -5.419398      5.326487      1.253804
  H      -6.319220      2.963923      8.419508
  H      -6.576511      2.434953      6.749039
  H      -6.498734      5.320574      7.687802
  H      -6.583079      4.800317      6.001894
  H      -8.717729      4.055374      8.071897
  H      -8.769150      5.488956      7.073306
  H      -8.427263      1.571941      3.625440
  H     -12.907078      2.608212      3.677701
  H     -14.341159      4.132682      5.065208
  H     -13.329809      5.463118      6.920583
  H     -10.908845      5.286423      7.400282
  N      -5.104585      3.905865      4.495352
96
Coordinates from ORCA-job orca E -6203.154890087133
  N      -3.257328      1.795140      4.632853
  Mo     -3.861284      3.547014      5.379921
  N      -4.697832      3.269404      7.154591
  C      -3.820347      3.060229      8.283173
  C      -2.582490      2.255508      7.902639
  N      -1.882995      2.849860      6.759559
  C      -1.108709      1.887779      5.962314
  C      -1.891916      1.305709      4.752354
  C      -1.166222      4.097238      7.041226
  C      -1.324342      5.036356      5.842293
  N      -2.729749      5.175559      5.487640
  H      -1.336283      1.535024      3.818807
  H      -1.899305      0.203917      4.834688
  H      -0.199338      2.405963      5.592795
  H      -0.751376      1.055965      6.616509
  H      -0.896581      6.022210      6.084471
  H      -0.734773      4.643561      4.998371
  H      -1.608940      4.562671      7.928551
  H      -0.097748      3.912272      7.257657
  H      -4.341402      2.500368      9.081884
  H      -3.506931      4.027500      8.736542
  H      -2.908929      1.252770      7.593440
  H      -1.913409      2.139991      8.783874
  C      -4.067190      1.051219      3.687078
  C      -4.128466     -0.460450      3.936568
  C      -5.453589     -1.078310      3.416577
  C      -5.864224     -0.581021      2.060707
  N      -6.872646      0.304007      2.018234
  C      -7.199197      0.817319      0.811566
  N      -6.627541      0.559183     -0.350306
  C      -5.607161     -0.363761     -0.339416
  C      -4.960347     -0.707065     -1.552294
  C      -3.946322     -1.644920     -1.563347
  C      -3.546721     -2.273889     -0.372629
  C      -4.153813     -1.953544      0.823556
  C      -5.189907     -0.991382      0.869359
  C      -3.257514      6.544866      5.500341
  C      -3.233308      7.313486      4.167352
  C      -4.200887      6.782979      3.123571
  C      -5.648199      6.896869      3.495511
  N      -5.968544      7.661288      4.533626
  C      -7.262427      7.678139      4.911768
  N      -8.268261      7.007154      4.389291
  C      -7.971488      6.238072      3.295189
  C      -9.001591      5.479531      2.675659
  C      -8.728970      4.681937      1.566675
  C      -7.425998      4.632603      1.033832
  C      -6.401261      5.358759      1.628060
  C      -6.648400      6.167582      2.776587
  C      -6.146490      3.225468      7.392049
  C      -6.868523      4.524212      7.046747
  C      -8.398474      4.472265      7.125304
  C      -9.104782      3.700446      6.037483
  N      -8.400432      2.882662      5.272877
  C      -9.043664      2.202958      4.285591
  N     -10.318559      2.238835      3.985998
  C     -11.079222      3.078186      4.761924
  C     -12.465827      3.189727      4.496593
  C     -13.259601      4.050356      5.257133
  C     -12.698646      4.819408      6.310166
  C     -11.351487      4.722997      6.591345
  C     -10.511874      3.853989      5.825954
  H      -3.727282      1.237084      2.642444
  H      -5.081131      1.444979      3.763601
  H      -4.077511     -0.658236      5.020177
  H      -3.263215     -0.965618      3.472732
  H      -5.369728     -2.179711      3.411867
  H      -6.268751     -0.806571      4.101357
  H      -8.054346      1.534723      0.821862
  H      -5.290496     -0.216202     -2.460828
  H      -3.455747     -1.908569     -2.499893
  H      -2.753695     -3.018295     -0.403481
  H      -3.845996     -2.443300      1.738799
  H      -4.291420      6.524419      5.857861
  H      -2.686602      7.130204      6.246117
  H      -2.222604      7.300157      3.750418
  H      -3.480093      8.366999      4.388042
  H      -4.045946      7.306047      2.157369
  H      -3.985193      5.718172      2.931126
  H      -7.482015      8.308854      5.767865
  H      -9.997971      5.534800      3.105114
  H      -9.524906      4.082438      1.099293
  H      -7.228090      4.001421      0.155350
  H      -5.395490      5.303033      1.220318
  H      -6.327691      2.971998      8.450768
  H      -6.587572      2.425113      6.786398
  H      -6.507844      5.323369      7.711660
  H      -6.583802      4.792812      6.024120
  H      -8.739410      4.069062      8.095373
  H      -8.768980      5.501973      7.090382
  H      -8.416671      1.551663      3.671991
  H     -12.877296      2.588645      3.681379
  H     -14.326722      4.141101      5.045353
  H     -13.337470      5.499141      6.901643
  H     -10.929243      5.322537      7.402995
  N      -5.220588      3.966807      4.465447
96
Coordinates from ORCA-job orca E -6203.154767832387
  N      -3.246422      1.769451      4.668312
  Mo     -3.864143      3.524616      5.397632
  N      -4.688937      3.263320      7.174601
  C      -3.810639      3.066341      8.328444
  C      -2.566873      2.257551      7.951109
  N      -1.873965      2.840757      6.792046
  C      -1.104068      1.874724      6.000329
  C      -1.877033      1.274235      4.796421
  C      -1.156470      4.098997      7.049758
  C      -1.317191      5.022541      5.837447
  N      -2.731563      5.165017      5.477777
  H      -1.314574      1.492375      3.867282
  H      -1.878912      0.177473      4.891223
  H      -0.215000      2.380559      5.625428
  H      -0.749622      1.069648      6.650100
  H      -0.885472      6.010782      6.069650
  H      -0.726819      4.614528      4.993953
  H      -1.598759      4.580056      7.935748
  H      -0.084785      3.915101      7.265759
  H      -4.338119      2.520098      9.128360
  H      -3.511394      4.040017      8.766063
  H      -2.892547      1.252039      7.649483
  H      -1.895616      2.152315      8.825808
  C      -4.063547      1.009327      3.707825
  C      -4.132098     -0.509485      3.958025
  C      -5.454882     -1.101802      3.428575
  C      -5.848334     -0.586136      2.070244
  N      -6.821960      0.301099      2.040375
  C      -7.156420      0.836284      0.829437
  N      -6.614395      0.596296     -0.344999
  C      -5.615257     -0.328417     -0.345740
  C      -4.983646     -0.651378     -1.574154
  C      -3.960634     -1.593802     -1.602737
  C      -3.532982     -2.252417     -0.410854
  C      -4.136448     -1.952603      0.801546
  C      -5.185012     -0.981196      0.863244
  C      -3.251673      6.535038      5.479438
  C      -3.224909      7.284894      4.130231
  C      -4.220918      6.735858      3.092955
  C      -5.686639      6.868635      3.473618
  N      -6.013503      7.648893      4.508158
  C      -7.330552      7.701974      4.887138
  N      -8.348200      7.048626      4.355975
  C      -8.045509      6.266199      3.262616
  C      -9.083050      5.545825      2.631366
  C      -8.802333      4.767258      1.537077
  C      -7.481045      4.677712      1.023852
  C      -6.451098      5.357205      1.624226
  C      -6.703978      6.159739      2.756282
  C      -6.134804      3.218842      7.423617
  C      -6.847134      4.526696      7.048620
  C      -8.375354      4.488482      7.127800
  C      -9.074982      3.701721      6.045229
  N      -8.363499      2.867987      5.295311
  C      -9.009554      2.188375      4.313038
  N     -10.301381      2.253742      4.008120
  C     -11.062988      3.097273      4.768242
  C     -12.451512      3.210073      4.494296
  C     -13.233278      4.037929      5.238992
  C     -12.667870      4.790834      6.284974
  C     -11.319844      4.704752      6.573020
  C     -10.487376      3.858704      5.825337
  H      -3.713151      1.184276      2.670480
  H      -5.086360      1.407609      3.771144
  H      -4.090584     -0.709067      5.041410
  H      -3.271982     -1.019855      3.503218
  H      -5.387962     -2.200737      3.418587
  H      -6.268032     -0.821948      4.114999
  H      -7.959451      1.552593      0.850788
  H      -5.329534     -0.138078     -2.482456
  H      -3.472939     -1.841639     -2.552661
  H      -2.723069     -3.002567     -0.455015
  H      -3.805145     -2.467218      1.716126
  H      -4.289879      6.517931      5.846634
  H      -2.674286      7.127516      6.217894
  H      -2.201309      7.259932      3.696009
  H      -3.460880      8.343674      4.343739
  H      -4.059971      7.249860      2.123372
  H      -4.023786      5.664048      2.903191
  H      -7.555822      8.361113      5.747572
  H     -10.094307      5.628303      3.042028
  H      -9.599985      4.207690      1.061438
  H      -7.278626      4.057292      0.158329
  H      -5.433917      5.271944      1.233906
  H      -6.312486      2.979536      8.491787
  H      -6.585891      2.406650      6.825852
  H      -6.481855      5.344085      7.696619
  H      -6.558980      4.773809      6.011049
  H      -8.717064      4.106663      8.112122
  H      -8.749418      5.528057      7.066446
  H      -8.374280      1.517111      3.713594
  H     -12.869982      2.616581      3.684399
  H     -14.299753      4.119794      5.021826
  H     -13.300765      5.442610      6.862614
  H     -10.892691      5.290456      7.380227
  N      -5.219638      3.925622      4.463128
96
Coordinates from ORCA-job orca E -6203.152723565961
  N      -3.239521      1.787474      4.666103
  Mo     -3.865699      3.529165      5.415157
  N      -4.687756      3.266654      7.193853
  C      -3.813532      3.063877      8.352015
  C      -2.570077      2.254903      7.972664
  N      -1.880530      2.842294      6.813381
  C      -1.107524      1.880308      6.019408
  C      -1.873628      1.283405      4.808613
  C      -1.165599      4.104459      7.068789
  C      -1.315274      5.020344      5.847489
  N      -2.729060      5.167539      5.475203
  H      -1.301063      1.499244      3.884118
  H      -1.883096      0.184105      4.902862
  H      -0.216905      2.387801      5.650389
  H      -0.756657      1.073379      6.667377
  H      -0.878665      6.008183      6.077971
  H      -0.720088      4.603251      5.009847
  H      -1.617108      4.593068      7.947188
  H      -0.094312      3.923179      7.297801
  H      -4.342189      2.514576      9.149228
  H      -3.515144      4.035478      8.794826
  H      -2.897124      1.249720      7.669592
  H      -1.897135      2.147810      8.845030
  C      -4.051219      1.030238      3.692304
  C      -4.121130     -0.494768      3.935934
  C      -5.442893     -1.094127      3.395671
  C      -5.831268     -0.582571      2.035332
  N      -6.815717      0.305182      1.998625
  C      -7.144020      0.833618      0.785939
  N      -6.571481      0.586634     -0.384138
  C      -5.569188     -0.337718     -0.377852
  C      -4.936356     -0.668473     -1.599631
  C      -3.978264     -1.606773     -1.619465
  C      -3.595533     -2.256833     -0.425722
  C      -4.175313     -1.950836      0.780021
  C      -5.170100     -0.982408      0.833300
  C      -3.241112      6.530262      5.461119
  C      -3.230733      7.266258      4.121095
  C      -4.241687      6.731978      3.093052
  C      -5.705922      6.868103      3.472556
  N      -6.030891      7.637499      4.504344
  C      -7.345096      7.691234      4.884501
  N      -8.361026      7.044784      4.355877
  C      -8.060001      6.270142      3.266561
  C      -9.096295      5.548974      2.641789
  C      -8.818623      4.769973      1.549847
  C      -7.502637      4.684229      1.031177
  C      -6.474346      5.368569      1.625803
  C      -6.723819      6.167784      2.757242
  C      -6.132547      3.226426      7.447023
  C      -6.841083      4.528945      7.062585
  C      -8.367703      4.493734      7.139021
  C      -9.059190      3.692850      6.061589
  N      -8.338635      2.832377      5.329261
  C      -8.974428      2.125373      4.354135
  N     -10.263838      2.178382      4.045069
  C     -11.034715      3.050452      4.787485
  C     -12.422542      3.159408      4.507150
  C     -13.220534      4.049613      5.227899
  C     -12.668703      4.855558      6.257827
  C     -11.318773      4.759740      6.555009
  C     -10.472184      3.857781      5.830737
  H      -3.690904      1.208712      2.660983
  H      -5.077118      1.431420      3.749921
  H      -4.087132     -0.695428      5.017981
  H      -3.254444     -1.003563      3.487535
  H      -5.372161     -2.196873      3.385437
  H      -6.263936     -0.815469      4.076827
  H      -7.964841      1.548251      0.801787
  H      -5.256364     -0.162483     -2.510205
  H      -3.506704     -1.860614     -2.564050
  H      -2.845083     -3.003905     -0.463634
  H      -3.880670     -2.458809      1.696086
  H      -4.275961      6.522640      5.831588
  H      -2.656305      7.121787      6.186782
  H      -2.212841      7.233320      3.687305
  H      -3.460981      8.311422      4.331136
  H      -4.092192      7.243208      2.136949
  H      -4.043943      5.674240      2.900385
  H      -7.570148      8.352374      5.742218
  H     -10.104425      5.629456      3.056973
  H      -9.614336      4.206568      1.078994
  H      -7.302793      4.060239      0.165351
  H      -5.460513      5.284548      1.229965
  H      -6.305356      3.000308      8.515897
  H      -6.587864      2.408466      6.861987
  H      -6.476181      5.349882      7.702990
  H      -6.551235      4.766177      6.026227
  H      -8.713867      4.122587      8.125466
  H      -8.740109      5.535211      7.066363
  H      -8.332965      1.438544      3.766058
  H     -12.830295      2.526436      3.709300
  H     -14.288224      4.135944      5.004404
  H     -13.313996      5.557648      6.815994
  H     -10.902165      5.385709      7.349953
  N      -5.198017      3.925454      4.493518
96
Coordinates from ORCA-job orca E -6203.153616719170
  N      -3.256759      1.808749      4.642827
  Mo     -3.865521      3.547584      5.407281
  N      -4.700201      3.283019      7.178854
  C      -3.827379      3.065544      8.323761
  C      -2.590064      2.251873      7.947593
  N      -1.892321      2.841572      6.797806
  C      -1.118460      1.874879      6.001375
  C      -1.898892      1.292902      4.783542
  C      -1.173157      4.096544      7.066685
  C      -1.311509      5.021126      5.851386
  N      -2.720364      5.177487      5.475116
  H      -1.327399      1.508884      3.856406
  H      -1.923844      0.187867      4.872404
  H      -0.205833      2.389639      5.636622
  H      -0.767397      1.040881      6.655617
  H      -0.870733      6.006330      6.086886
  H      -0.716372      4.606564      5.016807
  H      -1.628345      4.580543      7.941244
  H      -0.105401      3.908481      7.302414
  H      -4.359556      2.510321      9.117991
  H      -3.516066      4.031782      8.775109
  H      -2.921457      1.248098      7.640916
  H      -1.919248      2.137202      8.824543
  C      -4.069230      1.075220      3.678863
  C      -4.143201     -0.437721      3.925612
  C      -5.467767     -1.049829      3.401309
  C      -5.879888     -0.553358      2.041710
  N      -6.895034      0.335042      1.993889
  C      -7.234315      0.844242      0.782433
  N      -6.661678      0.581606     -0.376085
  C      -5.631103     -0.342968     -0.357810
  C      -4.983779     -0.691583     -1.566474
  C      -3.966769     -1.634189     -1.569872
  C      -3.568333     -2.259403     -0.374897
  C      -4.172299     -1.933251      0.815752
  C      -5.209476     -0.967105      0.853219
  C      -3.228858      6.549960      5.457712
  C      -3.208450      7.292505      4.123369
  C      -4.196024      6.768882      3.095246
  C      -5.640219      6.892008      3.475466
  N      -5.949623      7.643689      4.510941
  C      -7.237828      7.661812      4.895418
  N      -8.247699      7.002905      4.381326
  C      -7.964954      6.248207      3.287256
  C      -9.008598      5.502792      2.677236
  C      -8.751422      4.713295      1.563985
  C      -7.452868      4.656588      1.020056
  C      -6.416891      5.374702      1.607197
  C      -6.649971      6.177260      2.760643
  C      -6.150249      3.250532      7.425807
  C      -6.872568      4.546245      7.059845
  C      -8.397968      4.483737      7.135906
  C      -9.093720      3.696145      6.048844
  N      -8.390303      2.894050      5.299518
  C      -9.024701      2.204431      4.312578
  N     -10.287729      2.212584      4.004351
  C     -11.047108      3.030809      4.766846
  C     -12.423036      3.110483      4.494181
  C     -13.219345      3.966269      5.240090
  C     -12.669583      4.756357      6.285951
  C     -11.331618      4.684671      6.575349
  C     -10.491090      3.824692      5.825571
  H      -3.714123      1.256196      2.643661
  H      -5.077867      1.482541      3.742898
  H      -4.098524     -0.631539      5.008182
  H      -3.281710     -0.947758      3.470415
  H      -5.386950     -2.149023      3.400091
  H      -6.280265     -0.775337      4.083106
  H      -8.088352      1.561924      0.786421
  H      -5.315863     -0.203557     -2.477716
  H      -3.476197     -1.902638     -2.502844
  H      -2.775484     -3.007410     -0.398287
  H      -3.863286     -2.421167      1.733375
  H      -4.261936      6.548778      5.817826
  H      -2.648408      7.139968      6.186338
  H      -2.200787      7.261014      3.702168
  H      -3.439870      8.340161      4.334457
  H      -4.047167      7.283663      2.138238
  H      -3.993613      5.712672      2.902369
  H      -7.451669      8.291465      5.749581
  H     -10.002980      5.562473      3.117030
  H      -9.556546      4.123002      1.101962
  H      -7.264759      4.024713      0.137003
  H      -5.413495      5.312073      1.188780
  H      -6.325279      3.018053      8.488839
  H      -6.597064      2.439252      6.835864
  H      -6.513178      5.356273      7.713865
  H      -6.592142      4.803686      6.034902
  H      -8.727973      4.089176      8.109914
  H      -8.782155      5.508354      7.087133
  H      -8.394416      1.569556      3.709303
  H     -12.827553      2.493007      3.685564
  H     -14.279746      4.036016      5.022746
  H     -13.311993      5.430900      6.863793
  H     -10.916253      5.298829      7.381686
  N      -5.192123      3.939716      4.493267
96
Coordinates from ORCA-job orca E -6203.154261792629
  N      -3.252275      1.803233      4.643754
  Mo     -3.870870      3.539232      5.413132
  N      -4.693700      3.259624      7.192277
  C      -3.816009      3.046229      8.328405
  C      -2.575567      2.248079      7.941333
  N      -1.890625      2.842187      6.788524
  C      -1.116443      1.883320      5.987362
  C      -1.895888      1.295490      4.781283
  C      -1.180521      4.097760      7.054740
  C      -1.324972      5.017391      5.844291
  N      -2.726854      5.165112      5.474787
  H      -1.329285      1.505350      3.852486
  H      -1.915296      0.197633      4.875987
  H      -0.212950      2.397904      5.615443
  H      -0.758087      1.056406      6.637013
  H      -0.890816      6.002499      6.078441
  H      -0.733215      4.608405      5.008654
  H      -1.635903      4.577167      7.928645
  H      -0.115165      3.919293      7.287115
  H      -4.341646      2.485647      9.122258
  H      -3.514012      4.013850      8.780425
  H      -2.899764      1.244795      7.632331
  H      -1.898961      2.136644      8.816364
  C      -4.058511      1.060277      3.687969
  C      -4.124342     -0.452707      3.933253
  C      -5.445098     -1.059430      3.410065
  C      -5.850154     -0.558765      2.054958
  N      -6.834356      0.316386      2.021718
  C      -7.162294      0.829918      0.816474
  N      -6.617214      0.587556     -0.351321
  C      -5.608546     -0.321807     -0.349003
  C      -4.961838     -0.646000     -1.571512
  C      -3.901982     -1.583716     -1.596644
  C      -3.479955     -2.223007     -0.407635
  C      -4.107139     -1.917721      0.797611
  C      -5.177866     -0.956421      0.855614
  C      -3.239925      6.542059      5.458976
  C      -3.217516      7.271551      4.095047
  C      -4.212692      6.715103      3.072204
  C      -5.661039      6.841807      3.465195
  N      -5.970163      7.617611      4.505730
  C      -7.265973      7.641609      4.893179
  N      -8.280312      6.965682      4.379848
  C      -7.996393      6.189257      3.278986
  C      -9.038143      5.438858      2.661692
  C      -8.778470      4.661067      1.544013
  C      -7.478807      4.614094      1.003426
  C      -6.442383      5.322550      1.596640
  C      -6.676651      6.117563      2.750991
  C      -6.142486      3.217566      7.444175
  C      -6.866814      4.512846      7.077828
  C      -8.399390      4.466574      7.150413
  C      -9.105177      3.691596      6.062450
  N      -8.397904      2.841492      5.310355
  C      -9.047813      2.172318      4.322726
  N     -10.338257      2.258967      4.014678
  C     -11.100492      3.122943      4.781064
  C     -12.498603      3.268538      4.512208
  C     -13.282770      4.124320      5.264858
  C     -12.707386      4.866952      6.313365
  C     -11.352401      4.748251      6.597467
  C     -10.519091      3.876079      5.842029
  H      -3.703670      1.243387      2.650394
  H      -5.073933      1.457251      3.753806
  H      -4.078660     -0.649906      5.017590
  H      -3.262167     -0.961082      3.474026
  H      -5.367186     -2.153347      3.401344
  H      -6.254787     -0.787083      4.094980
  H      -7.989513      1.536298      0.834502
  H      -5.304650     -0.146430     -2.476557
  H      -3.399272     -1.831627     -2.541878
  H      -2.648003     -2.966534     -0.446729
  H      -3.781193     -2.414195      1.711043
  H      -4.273264      6.538562      5.830756
  H      -2.653902      7.144423      6.184993
  H      -2.205766      7.233056      3.657965
  H      -3.445920      8.341558      4.294469
  H      -4.063522      7.218564      2.086105
  H      -4.012917      5.638072      2.891343
  H      -7.482189      8.288467      5.746743
  H     -10.032811      5.495892      3.095929
  H      -9.582624      4.078331      1.075019
  H      -7.290739      4.005563      0.119910
  H      -5.440816      5.269611      1.182207
  H      -6.313907      2.985081      8.509867
  H      -6.588922      2.406648      6.855880
  H      -6.506666      5.320502      7.732213
  H      -6.579518      4.769214      6.052269
  H      -8.745744      4.076476      8.126205
  H      -8.768401      5.499879      7.099530
  H      -8.414575      1.491082      3.717114
  H     -12.922243      2.681235      3.703106
  H     -14.356356      4.231066      5.051599
  H     -13.339032      5.538701      6.898633
  H     -10.919521      5.325996      7.407107
  N      -5.213744      3.945439      4.495821
96
Coordinates from ORCA-job orca E -6203.154360164752
  N      -3.239765      1.785009      4.673982
  Mo     -3.868395      3.520522      5.431263
  N      -4.690612      3.263888      7.213382
  C      -3.814143      3.057280      8.368313
  C      -2.569902      2.250091      7.985105
  N      -1.884299      2.836465      6.822385
  C      -1.110478      1.875383      6.031524
  C      -1.877347      1.275105      4.824960
  C      -1.175191      4.101000      7.075656
  C      -1.319740      5.012023      5.850902
  N      -2.729527      5.158879      5.473395
  H      -1.300116      1.480705      3.901458
  H      -1.893295      0.181012      4.927383
  H      -0.222129      2.381804      5.662431
  H      -0.759425      1.072681      6.679034
  H      -0.884223      5.999213      6.078277
  H      -0.722690      4.592783      5.017050
  H      -1.636537      4.590909      7.947211
  H      -0.106877      3.924904      7.313388
  H      -4.341620      2.506238      9.164218
  H      -3.513783      4.027239      8.813142
  H      -2.893566      1.244064      7.684852
  H      -1.894211      2.147034      8.856098
  C      -4.052360      1.028261      3.699193
  C      -4.123351     -0.492475      3.946021
  C      -5.443444     -1.091215      3.412281
  C      -5.835175     -0.573462      2.053814
  N      -6.834336      0.307371      2.026108
  C      -7.178667      0.846154      0.814785
  N      -6.614170      0.616965     -0.362088
  C      -5.593761     -0.300757     -0.365426
  C      -4.966210     -0.612153     -1.595666
  C      -3.978824     -1.549019     -1.628073
  C      -3.559354     -2.215904     -0.437244
  C      -4.140798     -1.926471      0.778381
  C      -5.168274     -0.959139      0.843473
  C      -3.238807      6.531285      5.440204
  C      -3.213663      7.246305      4.073699
  C      -4.219651      6.687588      3.054027
  C      -5.684496      6.840757      3.443210
  N      -6.001484      7.635666      4.476425
  C      -7.323932      7.706599      4.868504
  N      -8.351306      7.050389      4.350754
  C      -8.056583      6.255366      3.256302
  C      -9.095089      5.535782      2.634434
  C      -8.817122      4.758172      1.544346
  C      -7.497959      4.663795      1.021250
  C      -6.468530      5.339413      1.610775
  C      -6.714500      6.139042      2.737802
  C      -6.136511      3.227826      7.469005
  C      -6.846362      4.532621      7.074633
  C      -8.375465      4.498509      7.145388
  C      -9.068768      3.705744      6.062870
  N      -8.353129      2.862238      5.324865
  C      -8.992510      2.173153      4.343068
  N     -10.283094      2.231365      4.031772
  C     -11.048211      3.080788      4.781274
  C     -12.432453      3.181018      4.500401
  C     -13.214566      4.018705      5.225751
  C     -12.657964      4.795948      6.261702
  C     -11.313730      4.718760      6.559311
  C     -10.479083      3.861535      5.830493
  H      -3.689417      1.205492      2.666835
  H      -5.075110      1.428921      3.752473
  H      -4.085632     -0.692770      5.029362
  H      -3.259865     -1.002731      3.495558
  H      -5.367548     -2.194117      3.400468
  H      -6.266078     -0.817899      4.098665
  H      -8.015904      1.555930      0.838518
  H      -5.310071     -0.094331     -2.503788
  H      -3.508064     -1.787854     -2.580290
  H      -2.776799     -2.963326     -0.485858
  H      -3.818808     -2.445931      1.693049
  H      -4.274354      6.535219      5.812006
  H      -2.653357      7.136358      6.159468
  H      -2.194175      7.199206      3.638471
  H      -3.437087      8.313173      4.260367
  H      -4.062109      7.185742      2.076046
  H      -4.032348      5.608941      2.878260
  H      -7.539607      8.379879      5.726816
  H     -10.103300      5.620983      3.047843
  H      -9.612879      4.201226      1.074932
  H      -7.299530      4.042344      0.157715
  H      -5.455050      5.254283      1.212928
  H      -6.309419      3.010344      8.542964
  H      -6.591932      2.404207      6.890348
  H      -6.482293      5.355431      7.715163
  H      -6.553177      4.768064      6.034885
  H      -8.723023      4.125840      8.130374
  H      -8.747764      5.538279      7.074318
  H      -8.358357      1.505949      3.750071
  H     -12.844573      2.569053      3.698864
  H     -14.277138      4.091364      5.002618
  H     -13.292520      5.459042      6.824808
  H     -10.894978      5.322936      7.360248
  N      -5.217474      3.915212      4.495706
96
Coordinates from ORCA-job orca E -6203.154793951485
  N      -3.253672      1.808743      4.651870
  Mo     -3.872432      3.537143      5.428580
  N      -4.701064      3.276765      7.208849
  C      -3.823144      3.061463      8.352510
  C      -2.584743      2.247060      7.965508
  N      -1.896212      2.838174      6.808765
  C      -1.119820      1.877662      6.010632
  C      -1.895727      1.287906      4.799704
  C      -1.180420      4.097183      7.078194
  C      -1.315240      5.016829      5.857911
  N      -2.726409      5.167863      5.478272
  H      -1.320622      1.491934      3.873571
  H      -1.923747      0.185532      4.897497
  H      -0.222211      2.392108      5.644927
  H      -0.764833      1.057938      6.657907
  H      -0.873819      6.002814      6.091731
  H      -0.716557      4.598708      5.024350
  H      -1.645595      4.585249      7.948697
  H      -0.111815      3.914690      7.323682
  H      -4.347859      2.505676      9.150471
  H      -3.509579      4.027431      8.804729
  H      -2.914176      1.241199      7.664025
  H      -1.908927      2.137409      8.836088
  C      -4.066414      1.069193      3.678363
  C      -4.145792     -0.445956      3.922559
  C      -5.468333     -1.045139      3.396166
  C      -5.872726     -0.540605      2.035835
  N      -6.856418      0.342786      1.995149
  C      -7.191136      0.865022      0.783601
  N      -6.629933      0.614117     -0.381664
  C      -5.625758     -0.307876     -0.370944
  C      -4.978207     -0.646781     -1.582898
  C      -3.979893     -1.579219     -1.591673
  C      -3.584342     -2.217345     -0.399061
  C      -4.190595     -1.903181      0.796132
  C      -5.212544     -0.942909      0.840373
  C      -3.233969      6.534330      5.438017
  C      -3.227020      7.252888      4.095483
  C      -4.223909      6.716072      3.077512
  C      -5.671330      6.840755      3.451457
  N      -5.989897      7.581940      4.479950
  C      -7.286990      7.608796      4.866079
  N      -8.293449      6.961805      4.350104
  C      -8.002141      6.220344      3.263478
  C      -9.037849      5.494830      2.652696
  C      -8.773381      4.725842      1.550735
  C      -7.469198      4.663080      1.009608
  C      -6.440856      5.358642      1.595462
  C      -6.679980      6.142982      2.739575
  C      -6.146431      3.248331      7.465423
  C      -6.856589      4.548726      7.080737
  C      -8.380675      4.501314      7.162112
  C      -9.071517      3.699672      6.082167
  N      -8.356935      2.868979      5.352980
  C      -8.982947      2.162818      4.370292
  N     -10.249407      2.175532      4.051012
  C     -11.017813      3.023926      4.790692
  C     -12.392398      3.110192      4.500040
  C     -13.198215      4.000151      5.215500
  C     -12.659475      4.815171      6.251744
  C     -11.320923      4.733694      6.560528
  C     -10.470941      3.841233      5.840148
  H      -3.706582      1.250192      2.645183
  H      -5.082570      1.480192      3.737206
  H      -4.102969     -0.644488      5.004590
  H      -3.289288     -0.957569      3.466418
  H      -5.393683     -2.143259      3.390804
  H      -6.278517     -0.768575      4.081842
  H      -7.997080      1.573834      0.795495
  H      -5.300149     -0.151587     -2.493692
  H      -3.479746     -1.841697     -2.527721
  H      -2.792577     -2.961469     -0.430785
  H      -3.877727     -2.401964      1.712444
  H      -4.264350      6.539405      5.805787
  H      -2.646906      7.133885      6.152038
  H      -2.219198      7.212391      3.668234
  H      -3.452719      8.296587      4.288182
  H      -4.082325      7.219159      2.121115
  H      -4.018714      5.666296      2.897365
  H      -7.500631      8.236488      5.723594
  H     -10.036819      5.557045      3.085974
  H      -9.572397      4.152340      1.088331
  H      -7.279910      4.043460      0.129163
  H      -5.433858      5.293540      1.179659
  H      -6.314370      3.033185      8.536772
  H      -6.604124      2.424720      6.891688
  H      -6.488406      5.369983      7.722629
  H      -6.571785      4.788532      6.044706
  H      -8.718867      4.122960      8.144499
  H      -8.756197      5.535412      7.099447
  H      -8.344964      1.501877      3.783072
  H     -12.787169      2.471787      3.698077
  H     -14.258807      4.077602      4.983619
  H     -13.309666      5.516849      6.806310
  H     -10.914755      5.366737      7.359820
  N      -5.208529      3.929737      4.507639
96
Coordinates from ORCA-job orca E -6203.153311060108
  N      -3.241036      1.828835      4.636522
  Mo     -3.860086      3.551613      5.424084
  N      -4.699156      3.268440      7.187341
  C      -3.827085      3.040383      8.331622
  C      -2.584938      2.242866      7.953398
  N      -1.892968      2.844739      6.806468
  C      -1.111400      1.888558      6.007640
  C      -1.890039      1.304327      4.791490
  C      -1.185554      4.101142      7.083742
  C      -1.313251      5.020718      5.870578
  N      -2.716069      5.175240      5.482045
  H      -1.312131      1.507133      3.865680
  H      -1.925563      0.201910      4.889653
  H      -0.199020      2.410419      5.643603
  H      -0.755382      1.052445      6.660996
  H      -0.876991      6.005505      6.109811
  H      -0.712523      4.607884      5.041097
  H      -1.657226      4.582102      7.948868
  H      -0.121853      3.921783      7.335989
  H      -4.359654      2.472220      9.115984
  H      -3.525737      4.002210      8.794703
  H      -2.907090      1.239033      7.640104
  H      -1.913400      2.128798      8.832840
  C      -4.046514      1.101988      3.667927
  C      -4.127618     -0.411971      3.908458
  C      -5.453054     -1.022983      3.381400
  C      -5.861581     -0.535015      2.022446
  N      -6.866271      0.351243      1.966494
  C      -7.191171      0.848198      0.754808
  N      -6.621189      0.578346     -0.397070
  C      -5.601504     -0.344027     -0.369514
  C      -4.950997     -0.701427     -1.568886
  C      -3.931190     -1.643490     -1.559606
  C      -3.538853     -2.256704     -0.362793
  C      -4.150242     -1.920551      0.817353
  C      -5.186894     -0.956578      0.842738
  C      -3.212005      6.553742      5.449474
  C      -3.178430      7.268362      4.090597
  C      -4.181376      6.726294      3.072710
  C      -5.634615      6.871733      3.464798
  N      -5.934642      7.649778      4.514018
  C      -7.229236      7.676455      4.911170
  N      -8.252370      7.004570      4.402726
  C      -7.982825      6.230663      3.291095
  C      -9.049040      5.481736      2.680021
  C      -8.813017      4.692398      1.537437
  C      -7.513893      4.640393      0.970266
  C      -6.451218      5.349497      1.563613
  C      -6.664709      6.154023      2.745335
  C      -6.148177      3.227688      7.442281
  C      -6.875818      4.516997      7.071751
  C      -8.403624      4.457673      7.147202
  C      -9.105918      3.675236      6.060232
  N      -8.403073      2.849541      5.308909
  C      -9.047862      2.173604      4.319438
  N     -10.325659      2.225984      4.011368
  C     -11.085097      3.066196      4.778789
  C     -12.475721      3.183048      4.512125
  C     -13.265778      4.039402      5.269720
  C     -12.695089      4.796649      6.318918
  C     -11.346152      4.697655      6.600641
  C     -10.511499      3.833718      5.840494
  H      -3.680725      1.284621      2.636629
  H      -5.054881      1.513905      3.725854
  H      -4.085636     -0.604077      4.991605
  H      -3.266452     -0.926491      3.453768
  H      -5.375505     -2.120290      3.379620
  H      -6.263530     -0.746222      4.059968
  H      -8.042931      1.562982      0.751452
  H      -5.279159     -0.221175     -2.482839
  H      -3.437906     -1.919748     -2.484027
  H      -2.754059     -3.001654     -0.375232
  H      -3.847036     -2.399466      1.736271
  H      -4.246951      6.570082      5.817777
  H      -2.621103      7.152719      6.165545
  H      -2.163012      7.207396      3.658049
  H      -3.390393      8.337188      4.280979
  H      -4.025145      7.219895      2.094468
  H      -3.993541      5.650997      2.896340
  H      -7.438346      8.325503      5.772930
  H     -10.045823      5.545614      3.137936
  H      -9.639050      4.108881      1.070183
  H      -7.344532      4.027889      0.063953
  H      -5.448113      5.289888      1.124459
  H      -6.313609      3.003321      8.507066
  H      -6.595440      2.413144      6.861335
  H      -6.518887      5.327957      7.724200
  H      -6.592508      4.771522      6.047794
  H      -8.740191      4.064257      8.122597
  H      -8.781090      5.485898      7.099361
  H      -8.414520      1.512035      3.711887
  H     -12.896162      2.584672      3.702994
  H     -14.335397      4.129620      5.058664
  H     -13.329915      5.463846      6.906226
  H     -10.914240      5.284763      7.410421
  N      -5.173443      3.947380      4.512071
96
Coordinates from ORCA-job orca E -6203.154074095583
  N      -3.254267      1.801675      4.658936
  Mo     -3.884871      3.526958      5.445861
  N      -4.692265      3.253593      7.238774
  C      -3.807127      3.033930      8.373101
  C      -2.567640      2.238821      7.968287
  N      -1.897738      2.835087      6.806869
  C      -1.124961      1.880222      6.001679
  C      -1.902277      1.284372      4.804193
  C      -1.192781      4.097632      7.064472
  C      -1.337029      5.009891      5.847152
  N      -2.738356      5.157416      5.474927
  H      -1.331353      1.479536      3.877405
  H      -1.926582      0.191383      4.908901
  H      -0.236430      2.393263      5.625947
  H      -0.761137      1.066362      6.643544
  H      -0.900192      5.994744      6.076901
  H      -0.745646      4.595144      5.013175
  H      -1.656036      4.582751      7.932286
  H      -0.128850      3.925123      7.303812
  H      -4.326510      2.470707      9.166907
  H      -3.504641      3.998927      8.828404
  H      -2.888680      1.233983      7.661493
  H      -1.881602      2.131802      8.833959
  C      -4.061126      1.054275      3.695479
  C      -4.121487     -0.467264      3.941570
  C      -5.441520     -1.080277      3.417679
  C      -5.842242     -0.559808      2.064544
  N      -6.858285      0.311142      2.049921
  C      -7.202630      0.848163      0.847262
  N      -6.635800      0.632973     -0.334733
  C      -5.596587     -0.271263     -0.352623
  C      -4.951737     -0.564268     -1.592287
  C      -3.904916     -1.496421     -1.640229
  C      -3.470867     -2.162779     -0.456326
  C      -4.083218     -1.887564      0.766870
  C      -5.157255     -0.930678      0.846963
  C      -3.250670      6.535647      5.430774
  C      -3.237284      7.239761      4.047870
  C      -4.238966      6.664539      3.036749
  C      -5.685957      6.795156      3.431271
  N      -5.999700      7.578043      4.461720
  C      -7.294667      7.604231      4.845261
  N      -8.301933      6.921805      4.337868
  C      -8.011132      6.138920      3.242604
  C      -9.034512      5.387044      2.625293
  C      -8.757234      4.617801      1.523915
  C      -7.462202      4.575522      0.997612
  C      -6.447551      5.284102      1.587937
  C      -6.694954      6.070456      2.724272
  C      -6.139857      3.220384      7.500529
  C      -6.855380      4.520484      7.117025
  C      -8.390408      4.489961      7.181284
  C      -9.088525      3.717964      6.089455
  N      -8.375798      2.869988      5.348205
  C      -9.018779      2.208722      4.355662
  N     -10.310703      2.300745      4.036079
  C     -11.076382      3.155914      4.791194
  C     -12.469307      3.294720      4.506741
  C     -13.252764      4.139172      5.242615
  C     -12.686940      4.884072      6.289590
  C     -11.336536      4.771959      6.589836
  C     -10.501207      3.905556      5.851859
  H      -3.698613      1.238835      2.661109
  H      -5.080127      1.449983      3.754085
  H      -4.074071     -0.669270      5.026104
  H      -3.253743     -0.972373      3.480113
  H      -5.353285     -2.180211      3.400212
  H      -6.262539     -0.820202      4.109902
  H      -8.073100      1.551767      0.880989
  H      -5.308914     -0.044591     -2.493324
  H      -3.418201     -1.720345     -2.597578
  H      -2.655407     -2.900125     -0.513064
  H      -3.752597     -2.404312      1.674981
  H      -4.281162      6.539683      5.809914
  H      -2.659528      7.153205      6.142808
  H      -2.228701      7.194333      3.605793
  H      -3.462741      8.312890      4.227094
  H      -4.095226      7.158303      2.043442
  H      -4.041167      5.584976      2.868109
  H      -7.515273      8.258014      5.690733
  H     -10.024962      5.438186      3.045433
  H      -9.541394      4.036539      1.055973
  H      -7.259945      3.971727      0.129616
  H      -5.451586      5.239172      1.184857
  H      -6.309727      3.004642      8.572316
  H      -6.593882      2.401692      6.925130
  H      -6.491918      5.331941      7.764079
  H      -6.562337      4.765099      6.088211
  H      -8.745656      4.108485      8.157867
  H      -8.755709      5.527974      7.119617
  H      -8.385172      1.539420      3.758027
  H     -12.886375      2.707904      3.698400
  H     -14.320746      4.238208      5.016843
  H     -13.319543      5.551648      6.861311
  H     -10.911375      5.351454      7.399223
  N      -5.242588      3.928348      4.520825
96
Coordinates from ORCA-job orca E -6203.155272971106
  N      -3.246324      1.801724      4.669422
  Mo     -3.870525      3.524480      5.446923
  N      -4.699243      3.272643      7.226628
  C      -3.823900      3.054587      8.378933
  C      -2.581257      2.242740      7.995015
  N      -1.894775      2.832324      6.833527
  C      -1.118097      1.872322      6.041806
  C      -1.889841      1.273845      4.833429
  C      -1.184161      4.096717      7.092874
  C      -1.313769      5.006959      5.863374
  N      -2.724259      5.159964      5.474856
  H      -1.304626      1.466608      3.910568
  H      -1.923562      0.177203      4.944068
  H      -0.225130      2.384637      5.675763
  H      -0.766048      1.062855      6.689917
  H      -0.872967      5.993123      6.091678
  H      -0.711698      4.581674      5.034338
  H      -1.658233      4.591426      7.956212
  H      -0.117155      3.919071      7.347367
  H      -4.352876      2.498876      9.172598
  H      -3.516182      4.020231      8.831358
  H      -2.907613      1.236048      7.696682
  H      -1.904579      2.138276      8.864254
  C      -4.058496      1.057454      3.685002
  C      -4.146775     -0.453793      3.930230
  C      -5.465468     -1.043668      3.395688
  C      -5.856101     -0.541334      2.033855
  N      -6.821411      0.336813      1.994142
  C      -7.153986      0.865791      0.780904
  N      -6.608790      0.626736     -0.387621
  C      -5.618267     -0.290481     -0.379650
  C      -4.985095     -0.612653     -1.601502
  C      -3.985962     -1.549194     -1.623735
  C      -3.571744     -2.208301     -0.430411
  C      -4.170424     -1.908001      0.778836
  C      -5.199047     -0.939283      0.833226
  C      -3.223929      6.530249      5.417090
  C      -3.203991      7.223294      4.051495
  C      -4.213520      6.670576      3.041519
  C      -5.673738      6.827349      3.427673
  N      -5.982028      7.605314      4.463643
  C      -7.299383      7.671155      4.867496
  N      -8.331509      7.024038      4.356524
  C      -8.047128      6.246947      3.258626
  C      -9.093797      5.532388      2.646498
  C      -8.831311      4.763700      1.548523
  C      -7.517823      4.676443      1.004517
  C      -6.478562      5.348121      1.586844
  C      -6.709905      6.136854      2.724622
  C      -6.144884      3.247736      7.488381
  C      -6.852006      4.549526      7.087524
  C      -8.377534      4.511913      7.163792
  C      -9.065292      3.706901      6.084290
  N      -8.344219      2.858253      5.355573
  C      -8.968182      2.142933      4.374324
  N     -10.244908      2.168579      4.058403
  C     -11.016640      3.027580      4.797246
  C     -12.390108      3.106062      4.507796
  C     -13.186711      3.975470      5.216035
  C     -12.650570      4.795305      6.245938
  C     -11.314433      4.730470      6.554650
  C     -10.467930      3.848487      5.841458
  H      -3.688231      1.231268      2.656828
  H      -5.073415      1.471699      3.730549
  H      -4.110975     -0.648500      5.012626
  H      -3.292853     -0.971038      3.484295
  H      -5.398202     -2.139505      3.393070
  H      -6.277995     -0.759872      4.074481
  H      -7.953047      1.572979      0.796131
  H      -5.317733     -0.101706     -2.510867
  H      -3.495856     -1.797241     -2.570483
  H      -2.767003     -2.959784     -0.473280
  H      -3.847447     -2.420777      1.695387
  H      -4.256809      6.549496      5.788457
  H      -2.632379      7.140542      6.121556
  H      -2.189615      7.160757      3.621679
  H      -3.418562      8.284848      4.223833
  H      -4.060837      7.158612      2.069028
  H      -4.025886      5.600249      2.873582
  H      -7.503433      8.332108      5.732562
  H     -10.098194      5.612138      3.074706
  H      -9.636466      4.207536      1.085613
  H      -7.333883      4.060021      0.127051
  H      -5.467945      5.266718      1.171290
  H      -6.311391      3.044599      8.564938
  H      -6.606830      2.418211      6.923754
  H      -6.484660      5.375776      7.722785
  H      -6.562959      4.779199      6.046572
  H      -8.721348      4.141107      8.148391
  H      -8.750803      5.548612      7.094197
  H      -8.329678      1.474627      3.787426
  H     -12.785306      2.462550      3.710506
  H     -14.243670      4.038803      4.984927
  H     -13.297728      5.485224      6.795801
  H     -10.910943      5.366839      7.350762
  N      -5.220790      3.915059      4.514263
96
Coordinates from ORCA-job orca E -6203.154825867176
  N      -3.240790      1.835495      4.636826
  Mo     -3.867536      3.550617      5.441083
  N      -4.701468      3.268958      7.213218
  C      -3.824963      3.039040      8.353732
  C      -2.582492      2.241518      7.962993
  N      -1.898312      2.845386      6.811297
  C      -1.114302      1.893786      6.009065
  C      -1.890873      1.304031      4.796428
  C      -1.192035      4.104189      7.093855
  C      -1.315565      5.024245      5.877041
  N      -2.720343      5.173242      5.485826
  H      -1.309660      1.495443      3.869467
  H      -1.932424      0.201129      4.900402
  H      -0.211420      2.416452      5.645673
  H      -0.754779      1.065448      6.657883
  H      -0.879176      6.009094      6.117663
  H      -0.711193      4.611339      5.047424
  H      -1.671755      4.586537      7.957153
  H      -0.127989      3.927276      7.354426
  H      -4.350679      2.466972      9.140204
  H      -3.520660      3.999266      8.821731
  H      -2.902920      1.235867      7.651357
  H      -1.906886      2.130126      8.837320
  C      -4.048244      1.105277      3.662846
  C      -4.129154     -0.415606      3.904690
  C      -5.457625     -1.021871      3.382711
  C      -5.867520     -0.520213      2.023309
  N      -6.879352      0.362794      1.971424
  C      -7.206388      0.869108      0.758357
  N      -6.627011      0.607340     -0.396134
  C      -5.601983     -0.313373     -0.371932
  C      -4.948352     -0.666300     -1.570207
  C      -3.960626     -1.594482     -1.561038
  C      -3.579903     -2.212568     -0.366096
  C      -4.179781     -1.884966      0.813678
  C      -5.195275     -0.930844      0.840677
  C      -3.222841      6.545601      5.433688
  C      -3.204349      7.247090      4.075782
  C      -4.199344      6.699030      3.064282
  C      -5.643656      6.830723      3.439515
  N      -5.957489      7.579946      4.468875
  C      -7.250458      7.600128      4.859662
  N      -8.258067      6.943661      4.352667
  C      -7.976830      6.203854      3.262047
  C      -9.032374      5.476833      2.657948
  C      -8.790668      4.703751      1.531381
  C      -7.487239      4.644748      0.966256
  C      -6.435346      5.340707      1.553018
  C      -6.657229      6.129057      2.723341
  C      -6.146355      3.233355      7.474851
  C      -6.868510      4.525053      7.089985
  C      -8.393191      4.466281      7.170527
  C      -9.090952      3.671402      6.089053
  N      -8.384109      2.845260      5.353619
  C      -9.022252      2.167949      4.363913
  N     -10.295145      2.216386      4.040989
  C     -11.057847      3.058052      4.790730
  C     -12.445072      3.179782      4.505039
  C     -13.242003      4.041553      5.243563
  C     -12.679261      4.799379      6.293274
  C     -11.332880      4.695953      6.592945
  C     -10.492982      3.828703      5.852181
  H      -3.677797      1.289686      2.631183
  H      -5.063743      1.519407      3.719073
  H      -4.086144     -0.612867      4.987908
  H      -3.268433     -0.930467      3.446928
  H      -5.377442     -2.125162      3.373954
  H      -6.270876     -0.749341      4.071256
  H      -8.043144      1.574399      0.758011
  H      -5.265880     -0.185737     -2.483529
  H      -3.466765     -1.868410     -2.486446
  H      -2.805061     -2.954742     -0.383430
  H      -3.881613     -2.368782      1.732431
  H      -4.253050      6.562063      5.801800
  H      -2.632233      7.150593      6.140049
  H      -2.196366      7.189545      3.644230
  H      -3.417930      8.305142      4.252836
  H      -4.049891      7.188779      2.093870
  H      -4.003030      5.637984      2.896421
  H      -7.462414      8.230586      5.715036
  H     -10.031999      5.541185      3.113106
  H      -9.611217      4.130792      1.069754
  H      -7.315418      4.031907      0.063351
  H      -5.428678      5.278990      1.115196
  H      -6.305896      3.022535      8.546055
  H      -6.601129      2.408314      6.905706
  H      -6.506467      5.346874      7.734175
  H      -6.585176      4.769460      6.057368
  H      -8.729708      4.082628      8.152276
  H      -8.771180      5.497643      7.112615
  H      -8.384014      1.503616      3.769288
  H     -12.858148      2.580979      3.695043
  H     -14.311535      4.138054      5.018343
  H     -13.319721      5.470697      6.865793
  H     -10.907069      5.284262      7.402024
  N      -5.186250      3.950619      4.518290
96
Coordinates from ORCA-job orca E -6203.156342850957
  N      -3.260584      1.818749      4.650909
  Mo     -3.887736      3.532004      5.455593
  N      -4.696096      3.256292      7.250114
  C      -3.812804      3.020768      8.383541
  C      -2.575375      2.228361      7.975512
  N      -1.908336      2.829595      6.815989
  C      -1.134832      1.877500      6.004964
  C      -1.916862      1.285025      4.808691
  C      -1.204000      4.091460      7.075387
  C      -1.336610      5.000119      5.858753
  N      -2.735170      5.155430      5.476356
  H      -1.340439      1.466921      3.884268
  H      -1.954868      0.191578      4.919941
  H      -0.242365      2.393987      5.628297
  H      -0.766389      1.055404      6.644410
  H      -0.895868      5.983853      6.092219
  H      -0.743071      4.582238      5.028711
  H      -1.675016      4.579002      7.936060
  H      -0.142255      3.919166      7.325988
  H      -4.336598      2.449864      9.168908
  H      -3.510230      3.980587      8.849738
  H      -2.897484      1.224691      7.663871
  H      -1.886282      2.115985      8.840342
  C      -4.063508      1.086552      3.680111
  C      -4.138425     -0.428167      3.919872
  C      -5.457267     -1.034757      3.390925
  C      -5.859177     -0.527201      2.035934
  N      -6.879064      0.347927      2.005339
  C      -7.221795      0.866804      0.799192
  N      -6.649265      0.631449     -0.370606
  C      -5.607631     -0.276567     -0.369711
  C      -4.954133     -0.594007     -1.591703
  C      -3.899748     -1.525643     -1.612878
  C      -3.478028     -2.164827     -0.423449
  C      -4.101736     -1.866431      0.778617
  C      -5.173823     -0.913345      0.834040
  C      -3.227081      6.535162      5.425920
  C      -3.204801      7.219992      4.041795
  C      -4.224994      6.650543      3.041558
  C      -5.676509      6.803522      3.439224
  N      -5.986618      7.602492      4.469630
  C      -7.282186      7.639574      4.852224
  N      -8.291838      6.954207      4.351492
  C      -8.006368      6.157274      3.253997
  C      -9.044622      5.403826      2.638960
  C      -8.784779      4.626798      1.514213
  C      -7.492460      4.585034      0.970500
  C      -6.458946      5.290032      1.566603
  C      -6.692659      6.081554      2.726692
  C      -6.145223      3.234781      7.517873
  C      -6.856825      4.533241      7.125913
  C      -8.391554      4.500800      7.183084
  C      -9.080922      3.722137      6.091731
  N      -8.367938      2.882255      5.360064
  C      -9.000185      2.197524      4.369938
  N     -10.273313      2.244060      4.047106
  C     -11.042211      3.093027      4.794552
  C     -12.424785      3.192021      4.512131
  C     -13.223236      4.063457      5.246740
  C     -12.673574      4.864853      6.286006
  C     -11.330864      4.777475      6.584173
  C     -10.484778      3.888172      5.850046
  H      -3.692304      1.271093      2.650483
  H      -5.073729      1.492141      3.731569
  H      -4.095607     -0.624890      5.003793
  H      -3.276929     -0.938842      3.462838
  H      -5.376545     -2.127568      3.377005
  H      -6.268173     -0.768699      4.077555
  H      -8.084670      1.569702      0.817145
  H      -5.305090     -0.093654     -2.498954
  H      -3.404009     -1.770605     -2.554853
  H      -2.671802     -2.899295     -0.458039
  H      -3.778254     -2.365314      1.691200
  H      -4.257970      6.559413      5.808858
  H      -2.623794      7.150073      6.126476
  H      -2.193040      7.147145      3.593836
  H      -3.408324      8.298466      4.213254
  H      -4.073748      7.128912      2.046391
  H      -4.043816      5.566035      2.879620
  H      -7.505149      8.309434      5.693699
  H     -10.036308      5.462884      3.075125
  H      -9.585053      4.048846      1.044052
  H      -7.303440      3.987910      0.083205
  H      -5.463739      5.245220      1.146880
  H      -6.314290      3.029911      8.589412
  H      -6.604735      2.416485      6.950987
  H      -6.499787      5.346373      7.771334
  H      -6.556253      4.772567      6.101158
  H      -8.747409      4.118758      8.157968
  H      -8.762436      5.535519      7.119417
  H      -8.363146      1.540428      3.775980
  H     -12.830037      2.565502      3.709773
  H     -14.285727      4.138220      5.023214
  H     -13.316470      5.554939      6.852996
  H     -10.914904      5.396570      7.387318
  N      -5.222473      3.927356      4.546337
96
Coordinates from ORCA-job orca E -6203.156271136369
  N      -3.230108      1.817949      4.662914
  Mo     -3.869605      3.524446      5.461195
  N      -4.691765      3.259118      7.236850
  C      -3.819099      3.029088      8.389258
  C      -2.572390      2.232436      8.002404
  N      -1.893354      2.836447      6.845212
  C      -1.109023      1.886460      6.049794
  C      -1.878117      1.285054      4.838759
  C      -1.197627      4.106538      7.106992
  C      -1.323574      5.013884      5.874897
  N      -2.730445      5.161744      5.475941
  H      -1.285785      1.472201      3.916925
  H      -1.919297      0.188573      4.954734
  H      -0.216112      2.410324      5.684834
  H      -0.751193      1.073522      6.698418
  H      -0.888843      6.000819      6.104914
  H      -0.714306      4.590334      5.051265
  H      -1.684898      4.599005      7.963269
  H      -0.132538      3.937822      7.372859
  H      -4.346981      2.459210      9.173911
  H      -3.518565      3.989580      8.854898
  H      -2.891294      1.226083      7.698072
  H      -1.894995      2.127796      8.870214
  C      -4.037754      1.076628      3.675141
  C      -4.119046     -0.440504      3.923425
  C      -5.442241     -1.048988      3.396282
  C      -5.844823     -0.545781      2.037404
  N      -6.825569      0.330833      2.002824
  C      -7.164773      0.859535      0.792967
  N      -6.613384      0.626353     -0.377710
  C      -5.610241     -0.287317     -0.375549
  C      -4.974688     -0.600125     -1.603255
  C      -3.954352     -1.542078     -1.635556
  C      -3.532371     -2.205032     -0.445382
  C      -4.136196     -1.910888      0.769619
  C      -5.181711     -0.940115      0.832997
  C      -3.235124      6.533279      5.393964
  C      -3.223027      7.219605      4.023040
  C      -4.219313      6.668646      3.014230
  C      -5.670164      6.809204      3.405973
  N      -5.964020      7.581776      4.451953
  C      -7.269270      7.632802      4.861496
  N      -8.306095      6.975631      4.355586
  C      -8.036251      6.201086      3.244142
  C      -9.082562      5.473867      2.631717
  C      -8.825349      4.711078      1.524444
  C      -7.524058      4.641039      0.976505
  C      -6.486359      5.325680      1.558942
  C      -6.710607      6.108774      2.703294
  C      -6.137789      3.229556      7.502692
  C      -6.855353      4.519730      7.107287
  C      -8.381223      4.476993      7.180675
  C      -9.078914      3.689182      6.095624
  N      -8.364364      2.834142      5.357954
  C      -9.002819      2.155659      4.367511
  N     -10.295429      2.239192      4.049847
  C     -11.061136      3.102365      4.801169
  C     -12.451172      3.236228      4.512171
  C     -13.233824      4.084365      5.235605
  C     -12.671671      4.835522      6.278028
  C     -11.322768      4.728645      6.584107
  C     -10.489151      3.864895      5.856209
  H      -3.661696      1.253651      2.649839
  H      -5.055951      1.492182      3.718580
  H      -4.077154     -0.634972      5.006356
  H      -3.256118     -0.954035      3.474812
  H      -5.360426     -2.152238      3.395087
  H      -6.261404     -0.774187      4.077175
  H      -7.996485      1.569835      0.812107
  H      -5.315535     -0.084178     -2.508729
  H      -3.464712     -1.782297     -2.585505
  H      -2.720893     -2.954612     -0.492136
  H      -3.808673     -2.426172      1.682638
  H      -4.266113      6.551458      5.759616
  H      -2.650500      7.154139      6.093563
  H      -2.219000      7.168041      3.604262
  H      -3.450220      8.270523      4.185909
  H      -4.081206      7.161530      2.044409
  H      -4.018982      5.609786      2.846604
  H      -7.463515      8.282156      5.730764
  H     -10.075246      5.537026      3.062383
  H      -9.626400      4.144477      1.061392
  H      -7.339702      4.026927      0.096688
  H      -5.484320      5.253869      1.141369
  H      -6.295520      3.030289      8.578015
  H      -6.597285      2.397307      6.943517
  H      -6.489678      5.343829      7.743943
  H      -6.573912      4.753698      6.070585
  H      -8.727994      4.100158      8.159337
  H      -8.747937      5.512233      7.117543
  H      -8.367467      1.478070      3.769877
  H     -12.865570      2.642235      3.705836
  H     -14.300716      4.183081      5.006000
  H     -13.305931      5.505471      6.840725
  H     -10.901202      5.316099      7.389841
  N      -5.228961      3.919944      4.535141
96
Coordinates from ORCA-job orca E -6203.156198693507
  N      -3.271033      1.831438      4.661907
  Mo     -3.883876      3.548839      5.468587
  N      -4.713767      3.288686      7.248068
  C      -3.834354      3.051268      8.387669
  C      -2.596229      2.240073      7.989068
  N      -1.914259      2.832178      6.829502
  C      -1.140822      1.871678      6.031913
  C      -1.927903      1.277998      4.835147
  C      -1.194310      4.088481      7.100562
  C      -1.301407      4.998506      5.868456
  N      -2.706466      5.164763      5.473592
  H      -1.339845      1.441998      3.910800
  H      -1.990830      0.182078      4.958716
  H      -0.245253      2.382292      5.662574
  H      -0.783880      1.054679      6.677712
  H      -0.851378      5.981404      6.097394
  H      -0.698552      4.566375      5.044332
  H      -1.677519      4.587452      7.954401
  H      -0.133450      3.903051      7.371995
  H      -4.362766      2.481449      9.173473
  H      -3.521356      4.008747      8.858931
  H      -2.925346      1.233571      7.684503
  H      -1.912565      2.128442      8.857621
  C      -4.073613      1.094213      3.680647
  C      -4.160287     -0.421306      3.924514
  C      -5.479112     -1.019219      3.392292
  C      -5.868974     -0.511634      2.032186
  N      -6.860543      0.353899      1.997404
  C      -7.178570      0.879204      0.787303
  N      -6.598868      0.650694     -0.383287
  C      -5.585234     -0.253375     -0.379856
  C      -4.922834     -0.566655     -1.600792
  C      -3.929287     -1.484814     -1.620807
  C      -3.544191     -2.134236     -0.429805
  C      -4.158798     -1.843071      0.776559
  C      -5.186722     -0.894799      0.830414
  C      -3.194032      6.553901      5.389219
  C      -3.161582      7.212657      3.988201
  C      -4.184052      6.620456      2.998653
  C      -5.635075      6.783577      3.396975
  N      -5.931447      7.549427      4.424512
  C      -7.232640      7.589519      4.833477
  N      -8.261417      6.935796      4.339614
  C      -7.994962      6.182490      3.248622
  C      -9.056396      5.464803      2.654567
  C      -8.818108      4.699828      1.546967
  C      -7.513419      4.627799      0.983006
  C      -6.458743      5.307424      1.554306
  C      -6.670847      6.089539      2.702720
  C      -6.158992      3.268819      7.519961
  C      -6.878084      4.565232      7.114607
  C      -8.405995      4.509484      7.192762
  C      -9.095413      3.700284      6.110373
  N      -8.379291      2.863466      5.377419
  C      -9.005316      2.162783      4.389683
  N     -10.277064      2.190471      4.070490
  C     -11.046099      3.037623      4.815117
  C     -12.421521      3.125400      4.525821
  C     -13.219793      3.984705      5.245983
  C     -12.677575      4.778137      6.285136
  C     -11.341020      4.707593      6.591754
  C     -10.495367      3.839733      5.867655
  H      -3.692600      1.268894      2.653268
  H      -5.083858      1.506633      3.720973
  H      -4.124498     -0.620140      5.008104
  H      -3.301630     -0.937880      3.472475
  H      -5.399997     -2.119664      3.378617
  H      -6.298933     -0.747461      4.078754
  H      -8.003577      1.572255      0.805412
  H      -5.237534     -0.063631     -2.508857
  H      -3.425275     -1.726710     -2.565379
  H      -2.746349     -2.871541     -0.471331
  H      -3.857347     -2.348376      1.691649
  H      -4.228496      6.599662      5.772706
  H      -2.587316      7.180290      6.078482
  H      -2.143369      7.115600      3.533734
  H      -3.349868      8.309437      4.133770
  H      -4.031567      7.081631      1.994570
  H      -4.007310      5.530692      2.856042
  H      -7.426623      8.227580      5.691618
  H     -10.055704      5.537214      3.104108
  H      -9.638364      4.137251      1.095276
  H      -7.347701      4.019049      0.094491
  H      -5.452657      5.237842      1.120350
  H      -6.316672      3.076538      8.601709
  H      -6.622250      2.430116      6.968398
  H      -6.517199      5.397324      7.750617
  H      -6.591724      4.797821      6.073791
  H      -8.744201      4.133667      8.178800
  H      -8.788355      5.542322      7.127065
  H      -8.367026      1.498185      3.798273
  H     -12.819342      2.500478      3.723455
  H     -14.279521      4.054909      5.016181
  H     -13.322575      5.452373      6.844681
  H     -10.933019      5.322720      7.393805
  N      -5.220394      3.934848      4.536545
96
Coordinates from ORCA-job orca E -6203.155319154578
  N      -3.232699      1.842207      4.644706
  Mo     -3.875404      3.536371      5.472267
  N      -4.688279      3.245875      7.264210
  C      -3.808473      3.005515      8.395128
  C      -2.563733      2.225626      7.984033
  N      -1.900598      2.842695      6.828780
  C      -1.112972      1.906162      6.012853
  C      -1.888585      1.308233      4.811508
  C      -1.210897      4.108594      7.105749
  C      -1.340489      5.020658      5.891113
  N      -2.738856      5.160121      5.499005
  H      -1.308342      1.485948      3.885552
  H      -1.930146      0.212410      4.927004
  H      -0.226606      2.437996      5.640034
  H      -0.735912      1.084549      6.650183
  H      -0.910287      6.005796      6.133433
  H      -0.736336      4.613101      5.063460
  H      -1.698911      4.587696      7.962777
  H      -0.148923      3.949425      7.369808
  H      -4.327142      2.421123      9.174995
  H      -3.512637      3.961529      8.873398
  H      -2.875493      1.220764      7.668852
  H      -1.877710      2.116028      8.850372
  C      -4.032945      1.114120      3.663607
  C      -4.115127     -0.404339      3.896621
  C      -5.439117     -1.003275      3.372730
  C      -5.854032     -0.503631      2.014581
  N      -6.876552      0.378453      1.963791
  C      -7.236425      0.887061      0.753305
  N      -6.686294      0.631349     -0.401062
  C      -5.645076     -0.286078     -0.380013
  C      -5.020187     -0.629787     -1.580580
  C      -3.999056     -1.560105     -1.576545
  C      -3.567374     -2.183221     -0.382508
  C      -4.147688     -1.863071      0.797982
  C      -5.192927     -0.908713      0.830081
  C      -3.232143      6.526146      5.432220
  C      -3.218110      7.196624      4.059178
  C      -4.238183      6.635790      3.062906
  C      -5.688751      6.792303      3.438505
  N      -6.013674      7.568411      4.463469
  C      -7.310438      7.606255      4.839652
  N      -8.308392      6.944688      4.328930
  C      -8.012871      6.177824      3.240187
  C      -9.050449      5.448733      2.623222
  C      -8.788313      4.671323      1.496124
  C      -7.485617      4.612452      0.947974
  C      -6.453402      5.303696      1.548426
  C      -6.693066      6.091883      2.716025
  C      -6.133942      3.218426      7.530854
  C      -6.844476      4.513857      7.128651
  C      -8.375165      4.481268      7.188653
  C      -9.061425      3.694341      6.101423
  N      -8.344904      2.854777      5.383594
  C      -8.970661      2.170313      4.391367
  N     -10.237846      2.211743      4.052240
  C     -11.010796      3.063943      4.784785
  C     -12.391227      3.170163      4.484209
  C     -13.201532      4.058185      5.204193
  C     -12.658588      4.859767      6.248172
  C     -11.316470      4.762430      6.563761
  C     -10.462007      3.862484      5.843710
  H      -3.656054      1.304756      2.634344
  H      -5.048967      1.527099      3.717411
  H      -4.071282     -0.603410      4.980002
  H      -3.258908     -0.918862      3.438058
  H      -5.363878     -2.096345      3.362588
  H      -6.244171     -0.732001      4.061261
  H      -8.077172      1.590324      0.755314
  H      -5.376934     -0.144435     -2.493549
  H      -3.526459     -1.826167     -2.503487
  H      -2.774565     -2.922444     -0.402411
  H      -3.815987     -2.349241      1.715405
  H      -4.258142      6.552944      5.811260
  H      -2.628062      7.140663      6.122062
  H      -2.208092      7.114443      3.617005
  H      -3.414274      8.265632      4.219432
  H      -4.084985      7.107300      2.078985
  H      -4.055110      5.559192      2.909070
  H      -7.537851      8.263381      5.683651
  H     -10.051314      5.519900      3.063946
  H      -9.592811      4.103041      1.023662
  H      -7.296830      4.009334      0.051012
  H      -5.450259      5.247529      1.122995
  H      -6.295837      3.022688      8.604656
  H      -6.594687      2.393761      6.972982
  H      -6.484852      5.333577      7.769223
  H      -6.543098      4.745075      6.098031
  H      -8.733507      4.103872      8.167031
  H      -8.740242      5.519448      7.121737
  H      -8.329683      1.511564      3.808018
  H     -12.788991      2.541526      3.677639
  H     -14.265449      4.142993      4.967221
  H     -13.309024      5.558444      6.804474
  H     -10.905274      5.381343      7.369675
  N      -5.203871      3.943290      4.561104
96
Coordinates from ORCA-job orca E -6203.155429811223
  N      -3.251545      1.824414      4.652977
  Mo     -3.886568      3.527870      5.466287
  N      -4.700396      3.254282      7.249771
  C      -3.815707      3.012983      8.391671
  C      -2.573915      2.223891      7.988381
  N      -1.908047      2.831858      6.828128
  C      -1.128169      1.882154      6.023132
  C      -1.910245      1.278644      4.826532
  C      -1.213016      4.100314      7.091222
  C      -1.338519      5.005641      5.868916
  N      -2.738663      5.156458      5.470008
  H      -1.325227      1.448937      3.901789
  H      -1.959935      0.184851      4.950935
  H      -0.239263      2.407671      5.647017
  H      -0.756495      1.066256      6.667211
  H      -0.903455      5.991440      6.102837
  H      -0.734018      4.585059      5.045117
  H      -1.702275      4.590999      7.943321
  H      -0.152580      3.930892      7.359681
  H      -4.339228      2.436479      9.172802
  H      -3.514431      3.968576      8.864618
  H      -2.890137      1.218355      7.680249
  H      -1.887000      2.117901      8.849865
  C      -4.054687      1.096037      3.672180
  C      -4.140006     -0.417838      3.918339
  C      -5.461171     -1.025773      3.389773
  C      -5.863835     -0.521640      2.034437
  N      -6.871662      0.357245      2.004714
  C      -7.197113      0.880825      0.798716
  N      -6.607741      0.645500     -0.370098
  C      -5.580995     -0.266625     -0.369518
  C      -4.904124     -0.581261     -1.593482
  C      -3.856960     -1.523481     -1.622250
  C      -3.469576     -2.171980     -0.435711
  C      -4.114334     -1.874093      0.770014
  C      -5.174038     -0.911036      0.831534
  C      -3.238550      6.527451      5.382855
  C      -3.227052      7.200225      4.005472
  C      -4.221310      6.639063      3.007159
  C      -5.668097      6.780629      3.402513
  N      -5.956737      7.564939      4.453903
  C      -7.252265      7.608658      4.861257
  N      -8.283065      6.940425      4.360993
  C      -8.020844      6.155035      3.237900
  C      -9.073095      5.415980      2.622013
  C      -8.824989      4.646545      1.486757
  C      -7.533889      4.592686      0.929685
  C      -6.488909      5.284544      1.522518
  C      -6.706686      6.071481      2.692048
  C      -6.144839      3.225342      7.529475
  C      -6.855696      4.515882      7.137913
  C      -8.384325      4.481011      7.207447
  C      -9.079716      3.705862      6.119285
  N      -8.370323      2.864522      5.388598
  C      -9.006739      2.193891      4.393696
  N     -10.288945      2.268845      4.067468
  C     -11.054400      3.122971      4.815538
  C     -12.442150      3.252089      4.524390
  C     -13.230760      4.108969      5.257466
  C     -12.668538      4.867933      6.305256
  C     -11.321555      4.759634      6.610540
  C     -10.485499      3.886091      5.875926
  H      -3.674847      1.274508      2.647756
  H      -5.066935      1.513584      3.712054
  H      -4.098397     -0.610848      5.001273
  H      -3.280261     -0.932664      3.466976
  H      -5.378475     -2.123137      3.379843
  H      -6.273455     -0.756605      4.071886
  H      -8.047292      1.588940      0.818455
  H      -5.227036     -0.072965     -2.497663
  H      -3.337869     -1.766534     -2.566667
  H      -2.665012     -2.910414     -0.474132
  H      -3.810745     -2.380564      1.680249
  H      -4.264415      6.548993      5.750647
  H      -2.652336      7.151669      6.074441
  H      -2.229983      7.139061      3.585450
  H      -3.446879      8.248966      4.156207
  H      -4.084475      7.120207      2.029777
  H      -4.022301      5.580749      2.850663
  H      -7.451191      8.265782      5.727249
  H     -10.060472      5.475103      3.063643
  H      -9.632010      4.076277      1.019046
  H      -7.353479      3.995208      0.035508
  H      -5.494418      5.226357      1.096070
  H      -6.299829      3.030661      8.601538
  H      -6.609214      2.397441      6.976378
  H      -6.490894      5.331569      7.775481
  H      -6.568277      4.750673      6.110842
  H      -8.734142      4.101166      8.182262
  H      -8.751731      5.513550      7.146425
  H      -8.369133      1.524509      3.798865
  H     -12.856341      2.654189      3.714633
  H     -14.295880      4.204360      5.027171
  H     -13.304590      5.543825      6.872471
  H     -10.896116      5.349850      7.420450
  N      -5.228821      3.909247      4.549016
96
Coordinates from ORCA-job orca E -6203.156145346549
  N      -3.248548      1.840246      4.660636
  Mo     -3.875388      3.545218      5.479249
  N      -4.703470      3.274140      7.258963
  C      -3.829454      3.030558      8.398235
  C      -2.585499      2.231439      7.995654
  N      -1.907730      2.838123      6.840884
  C      -1.124446      1.890775      6.040831
  C      -1.905616      1.290323      4.839511
  C      -1.198705      4.098475      7.118754
  C      -1.306369      5.013310      5.887923
  N      -2.711209      5.172110      5.488197
  H      -1.312751      1.452280      3.914205
  H      -1.967747      0.194563      4.967924
  H      -0.232043      2.414345      5.672619
  H      -0.761573      1.074753      6.686719
  H      -0.861233      5.996347      6.122819
  H      -0.697151      4.588223      5.064236
  H      -1.689186      4.590278      7.972248
  H      -0.137005      3.922041      7.394189
  H      -4.356071      2.449170      9.177313
  H      -3.525843      3.985683      8.878589
  H      -2.908303      1.224299      7.685388
  H      -1.901776      2.119112      8.864375
  C      -4.052143      1.103288      3.671253
  C      -4.138113     -0.418268      3.918472
  C      -5.463566     -1.025180      3.394662
  C      -5.855326     -0.521931      2.032633
  N      -6.837337      0.337451      1.995527
  C      -7.172542      0.861768      0.784111
  N      -6.619513      0.636692     -0.391298
  C      -5.613737     -0.262355     -0.386546
  C      -4.982531     -0.569457     -1.615976
  C      -3.970835     -1.495202     -1.642680
  C      -3.539735     -2.154553     -0.448554
  C      -4.139855     -1.864783      0.770615
  C      -5.184718     -0.907854      0.827642
  C      -3.207398      6.555699      5.394703
  C      -3.180360      7.212587      3.992619
  C      -4.193381      6.618844      3.000141
  C      -5.643057      6.776603      3.392844
  N      -5.938583      7.550078      4.425223
  C      -7.240030      7.588575      4.835948
  N      -8.274836      6.920576      4.337620
  C      -8.006405      6.155105      3.237197
  C      -9.057103      5.420839      2.634557
  C      -8.806925      4.665775      1.535155
  C      -7.508114      4.611740      0.982960
  C      -6.463989      5.301256      1.556867
  C      -6.682059      6.074961      2.696455
  C      -6.150982      3.257705      7.528761
  C      -6.874415      4.551549      7.127203
  C      -8.404023      4.503792      7.198441
  C      -9.094619      3.708348      6.107055
  N      -8.372187      2.856900      5.364349
  C      -8.999404      2.168599      4.369212
  N     -10.284722      2.226547      4.052643
  C     -11.056292      3.081753      4.806754
  C     -12.437512      3.187255      4.518347
  C     -13.227921      4.031686      5.239184
  C     -12.683675      4.806388      6.280307
  C     -11.342899      4.726216      6.587484
  C     -10.500022      3.865109      5.862947
  H      -3.667284      1.279069      2.646210
  H      -5.062437      1.521343      3.708943
  H      -4.099222     -0.616211      5.002621
  H      -3.273362     -0.935276      3.465614
  H      -5.380725     -2.131461      3.390464
  H      -6.288587     -0.751849      4.081219
  H      -8.019074      1.560565      0.802582
  H      -5.332076     -0.057996     -2.524494
  H      -3.491374     -1.730428     -2.593790
  H      -2.729767     -2.894662     -0.493219
  H      -3.809726     -2.374532      1.687835
  H      -4.242063      6.593333      5.775708
  H      -2.604515      7.189108      6.081556
  H      -2.165362      7.121726      3.545268
  H      -3.376224      8.303517      4.135722
  H      -4.041487      7.078826      1.998625
  H      -4.006168      5.534610      2.861465
  H      -7.433396      8.233643      5.697937
  H     -10.050041      5.477702      3.071049
  H      -9.613032      4.094347      1.078860
  H      -7.333710      4.006666      0.100720
  H      -5.463486      5.243837      1.130944
  H      -6.307004      3.067060      8.610840
  H      -6.614053      2.420501      6.977991
  H      -6.513314      5.377364      7.767267
  H      -6.588801      4.788447      6.090008
  H      -8.749346      4.123005      8.177484
  H      -8.777402      5.538933      7.140438
  H      -8.361853      1.497138      3.768519
  H     -12.836755      2.576362      3.713283
  H     -14.289143      4.109808      5.009935
  H     -13.324529      5.474525      6.842682
  H     -10.936785      5.329746      7.392632
  N      -5.221217      3.946543      4.546230
96
Coordinates from ORCA-job orca E -6203.157374458257
  N      -3.244331      1.822393      4.653077
  Mo     -3.886069      3.519933      5.475133
  N      -4.692904      3.246617      7.271469
  C      -3.807615      2.999069      8.414055
  C      -2.562612      2.212752      8.004178
  N      -1.903985      2.823672      6.838823
  C      -1.123124      1.882056      6.022001
  C      -1.903709      1.270624      4.831017
  C      -1.211504      4.095469      7.102572
  C      -1.340133      5.002177      5.880187
  N      -2.743786      5.144447      5.483140
  H      -1.318530      1.427003      3.905102
  H      -1.957061      0.177816      4.963670
  H      -0.246149      2.411168      5.643670
  H      -0.742751      1.070094      6.656685
  H      -0.909153      5.988892      6.118409
  H      -0.736042      4.586012      5.052959
  H      -1.701617      4.586178      7.956811
  H      -0.149173      3.932354      7.371343
  H      -4.328843      2.419718      9.194878
  H      -3.505201      3.952891      8.892525
  H      -2.877768      1.207157      7.693676
  H      -1.873759      2.106016      8.864697
  C      -4.054313      1.098865      3.665981
  C      -4.161215     -0.405484      3.908498
  C      -5.478823     -0.987303      3.372519
  C      -5.868394     -0.487768      2.013727
  N      -6.867608      0.388314      1.966243
  C      -7.193730      0.900878      0.753015
  N      -6.617146      0.652241     -0.404481
  C      -5.591333     -0.262504     -0.384637
  C      -4.926646     -0.600245     -1.588475
  C      -3.931731     -1.525121     -1.589134
  C      -3.549364     -2.159323     -0.396667
  C      -4.162267     -1.846110      0.792034
  C      -5.187524     -0.891170      0.827164
  C      -3.227907      6.515649      5.402856
  C      -3.216340      7.167213      4.021474
  C      -4.253133      6.614902      3.031351
  C      -5.708989      6.786444      3.408350
  N      -6.033711      7.567682      4.422642
  C      -7.338456      7.619944      4.804408
  N      -8.342533      6.962717      4.301562
  C      -8.045758      6.195801      3.221541
  C      -9.087548      5.481410      2.612745
  C      -8.830328      4.711004      1.498560
  C      -7.523018      4.634808      0.945388
  C      -6.484945      5.308200      1.538052
  C      -6.720594      6.095892      2.694392
  C      -6.136462      3.236118      7.555634
  C      -6.834676      4.537271      7.138231
  C      -8.361104      4.502827      7.206861
  C      -9.042914      3.701476      6.122786
  N      -8.322846      2.865010      5.403084
  C      -8.946560      2.174513      4.411618
  N     -10.218179      2.210062      4.078314
  C     -10.991375      3.054619      4.812371
  C     -12.370636      3.152041      4.512504
  C     -13.175206      4.026536      5.224414
  C     -12.633019      4.827229      6.262510
  C     -11.293252      4.741100      6.579250
  C     -10.442859      3.855418      5.865997
  H      -3.669007      1.275025      2.641389
  H      -5.063495      1.526750      3.704046
  H      -4.127984     -0.594146      4.991341
  H      -3.314915     -0.929830      3.464702
  H      -5.415991     -2.076601      3.365354
  H      -6.283776     -0.704567      4.050600
  H      -8.007984      1.600225      0.756988
  H      -5.242327     -0.108847     -2.498926
  H      -3.425314     -1.787162     -2.519929
  H      -2.758413     -2.905213     -0.423305
  H      -3.862314     -2.342364      1.707821
  H      -4.258657      6.559744      5.785550
  H      -2.613566      7.136839      6.080675
  H      -2.202008      7.071803      3.577324
  H      -3.405582      8.240861      4.174270
  H      -4.095527      7.080592      2.047977
  H      -4.085085      5.531966      2.877654
  H      -7.565318      8.287539      5.641827
  H     -10.093417      5.563012      3.054565
  H      -9.642125      4.154787      1.031710
  H      -7.341459      4.031035      0.049417
  H      -5.476818      5.237799      1.109480
  H      -6.292809      3.057786      8.636028
  H      -6.611134      2.403364      7.011936
  H      -6.468897      5.370090      7.767410
  H      -6.534534      4.755695      6.098497
  H      -8.713818      4.133601      8.192521
  H      -8.734383      5.541098      7.129702
  H      -8.304731      1.526693      3.825549
  H     -12.770450      2.524230      3.709218
  H     -14.238756      4.106207      4.987113
  H     -13.283697      5.516817      6.812292
  H     -10.882197      5.361573      7.380691
  N      -5.226548      3.923153      4.549202
96
Coordinates from ORCA-job orca E -6203.156710477681
  N      -3.238161      1.854164      4.650311
  Mo     -3.874704      3.546353      5.486974
  N      -4.697494      3.263272      7.262326
  C      -3.825348      3.009337      8.394292
  C      -2.580206      2.228262      7.987128
  N      -1.909188      2.844301      6.838711
  C      -1.121371      1.903020      6.032357
  C      -1.901929      1.302906      4.836876
  C      -1.216418      4.107694      7.118852
  C      -1.325441      5.019959      5.896395
  N      -2.719953      5.173020      5.490344
  H      -1.308808      1.463079      3.913136
  H      -1.962772      0.209956      4.967427
  H      -0.230403      2.432885      5.657764
  H      -0.746139      1.083327      6.676238
  H      -0.889953      6.003956      6.137643
  H      -0.712584      4.604957      5.075778
  H      -1.716114      4.590892      7.966980
  H      -0.158820      3.939742      7.399192
  H      -4.353603      2.416156      9.163088
  H      -3.530310      3.961005      8.883068
  H      -2.892772      1.222436      7.670149
  H      -1.894689      2.117516      8.854466
  C      -4.029651      1.122689      3.663263
  C      -4.104168     -0.406259      3.902707
  C      -5.432805     -1.024284      3.382677
  C      -5.858076     -0.514965      2.023077
  N      -6.887972      0.366724      1.983423
  C      -7.241141      0.887440      0.773550
  N      -6.673217      0.648154     -0.390409
  C      -5.636655     -0.265853     -0.382956
  C      -4.994020     -0.588595     -1.598762
  C      -3.954854     -1.523003     -1.611762
  C      -3.534926     -2.160621     -0.419179
  C      -4.138072     -1.857570      0.775028
  C      -5.192454     -0.903224      0.824370
  C      -3.221231      6.552841      5.392697
  C      -3.201285      7.218775      4.001508
  C      -4.190800      6.636242      3.006461
  C      -5.630168      6.769145      3.405232
  N      -5.921225      7.545150      4.447752
  C      -7.212295      7.577816      4.851220
  N      -8.237074      6.907820      4.357184
  C      -7.974904      6.136252      3.247611
  C      -9.035181      5.401017      2.641943
  C      -8.799818      4.630236      1.500583
  C      -7.505842      4.578185      0.932886
  C      -6.451585      5.271788      1.520436
  C      -6.661920      6.056656      2.697448
  C      -6.145265      3.237345      7.528730
  C      -6.872395      4.522943      7.135770
  C      -8.403614      4.471257      7.197959
  C      -9.100154      3.696013      6.108220
  N      -8.392884      2.857925      5.379384
  C      -9.025110      2.180407      4.384049
  N     -10.291138      2.231683      4.052808
  C     -11.058213      3.086879      4.797214
  C     -12.439856      3.204750      4.503942
  C     -13.241917      4.080565      5.240293
  C     -12.687979      4.857410      6.291337
  C     -11.345510      4.754043      6.597622
  C     -10.500407      3.868483      5.861087
  H      -3.639303      1.308121      2.639187
  H      -5.044441      1.533271      3.703604
  H      -4.060136     -0.606216      4.987557
  H      -3.233173     -0.919791      3.443343
  H      -5.340639     -2.130064      3.371060
  H      -6.250538     -0.762383      4.078607
  H      -8.084417      1.589989      0.785540
  H      -5.339561     -0.090031     -2.509520
  H      -3.460863     -1.773513     -2.550287
  H      -2.733959     -2.895923     -0.448779
  H      -3.810466     -2.355730      1.690985
  H      -4.246918      6.579864      5.759977
  H      -2.637548      7.181974      6.085508
  H      -2.204669      7.155578      3.575193
  H      -3.419214      8.282552      4.140398
  H      -4.057594      7.110411      2.014515
  H      -3.989129      5.571680      2.858604
  H      -7.408870      8.221220      5.711942
  H     -10.024160      5.461497      3.095863
  H      -9.617132      4.061507      1.038562
  H      -7.334938      3.982413      0.032348
  H      -5.456264      5.219258      1.084503
  H      -6.301747      3.040417      8.601448
  H      -6.602272      2.409674      6.972815
  H      -6.518284      5.338625      7.780593
  H      -6.584584      4.766628      6.110890
  H      -8.749556      4.081443      8.168445
  H      -8.778197      5.499146      7.145297
  H      -8.384365      1.505432      3.792503
  H     -12.844457      2.594263      3.693545
  H     -14.305079      4.170133      5.009668
  H     -13.329973      5.541371      6.860064
  H     -10.926478      5.354069      7.407655
  N      -5.199411      3.937884      4.575916
96
Coordinates from ORCA-job orca E -6203.158378123665
  N      -3.251790      1.835569      4.659824
  Mo     -3.889838      3.527609      5.481722
  N      -4.699318      3.247916      7.276210
  C      -3.815288      2.997029      8.414820
  C      -2.570660      2.210443      8.004833
  N      -1.911460      2.827786      6.844375
  C      -1.126636      1.890229      6.029609
  C      -1.914762      1.277986      4.840324
  C      -1.216832      4.097410      7.111500
  C      -1.337581      5.004362      5.885735
  N      -2.741426      5.152244      5.484998
  H      -1.327985      1.425513      3.914412
  H      -1.979852      0.184915      4.981536
  H      -0.248060      2.428517      5.648449
  H      -0.741035      1.075955      6.666895
  H      -0.902598      5.990850      6.121785
  H      -0.729951      4.582365      5.063242
  H      -1.709801      4.590088      7.961694
  H      -0.155074      3.931335      7.385615
  H      -4.336954      2.411811      9.191077
  H      -3.515208      3.948156      8.900131
  H      -2.887399      1.204939      7.692591
  H      -1.880229      2.099900      8.864774
  C      -4.055982      1.116201      3.667897
  C      -4.162545     -0.390261      3.912512
  C      -5.480110     -0.984990      3.372530
  C      -5.859406     -0.495433      2.012817
  N      -6.845706      0.375644      1.967998
  C      -7.162503      0.888203      0.758436
  N      -6.591813      0.645078     -0.404807
  C      -5.578793     -0.262543     -0.389986
  C      -4.930817     -0.586050     -1.606975
  C      -3.901135     -1.526035     -1.623952
  C      -3.490115     -2.170161     -0.430397
  C      -4.110171     -1.862899      0.771582
  C      -5.168101     -0.897271      0.819512
  C      -3.226302      6.526281      5.381854
  C      -3.204775      7.167747      3.986259
  C      -4.229414      6.597119      2.999901
  C      -5.682680      6.772433      3.387330
  N      -5.975051      7.548259      4.428456
  C      -7.272970      7.597236      4.829452
  N      -8.306090      6.940001      4.323661
  C      -8.041487      6.167928      3.211719
  C      -9.090153      5.433797      2.595894
  C      -8.836677      4.668596      1.477387
  C      -7.543266      4.611211      0.928853
  C      -6.502288      5.298411      1.520512
  C      -6.723437      6.079143      2.675925
  C      -6.143324      3.241447      7.571723
  C      -6.849685      4.537538      7.161667
  C      -8.380717      4.505483      7.230582
  C      -9.065136      3.715675      6.135027
  N      -8.338708      2.872864      5.398569
  C      -8.960133      2.195251      4.395657
  N     -10.245885      2.263244      4.067242
  C     -11.024471      3.109321      4.819442
  C     -12.408936      3.219872      4.522471
  C     -13.208026      4.058290      5.249868
  C     -12.664704      4.823014      6.300467
  C     -11.321067      4.737212      6.613149
  C     -10.471599      3.879251      5.884418
  H      -3.668377      1.288677      2.646726
  H      -5.059375      1.549263      3.698585
  H      -4.129507     -0.579657      4.995603
  H      -3.308158     -0.913582      3.468823
  H      -5.409533     -2.080067      3.367956
  H      -6.294404     -0.703082      4.044189
  H      -8.047681      1.597130      0.767942
  H      -5.269813     -0.082704     -2.515942
  H      -3.410931     -1.775157     -2.563336
  H      -2.684377     -2.912204     -0.462066
  H      -3.796831     -2.363961      1.686859
  H      -4.256398      6.570265      5.763515
  H      -2.616454      7.159054      6.054538
  H      -2.192969      7.064518      3.544976
  H      -3.392753      8.244251      4.127561
  H      -4.075279      7.054409      2.009110
  H      -4.051159      5.520355      2.858272
  H      -7.470876      8.244609      5.692435
  H     -10.077978      5.492449      3.028995
  H      -9.638924      4.097533      1.010869
  H      -7.360765      4.006213      0.039479
  H      -5.504408      5.233210      1.099353
  H      -6.289751      3.068897      8.656263
  H      -6.621765      2.400106      7.039173
  H      -6.483468      5.368105      7.792795
  H      -6.557389      4.759308      6.122135
  H      -8.739825      4.129541      8.212199
  H      -8.744820      5.547138      7.165444
  H      -8.314833      1.534867      3.794001
  H     -12.807186      2.616953      3.709268
  H     -14.270698      4.138710      5.015128
  H     -13.310752      5.487011      6.864623
  H     -10.913004      5.333700      7.425432
  N      -5.236948      3.920326      4.561742
96
Coordinates from ORCA-job orca E -6203.157811389855
  N      -3.239446      1.846121      4.649356
  Mo     -3.884740      3.535728      5.495494
  N      -4.696599      3.248037      7.277311
  C      -3.817053      2.985848      8.415474
  C      -2.568550      2.208042      7.996392
  N      -1.908412      2.833564      6.842845
  C      -1.121259      1.903347      6.026326
  C      -1.902508      1.289489      4.835681
  C      -1.216722      4.100354      7.126652
  C      -1.331030      5.014817      5.903362
  N      -2.732161      5.161792      5.496092
  H      -1.309781      1.433133      3.908577
  H      -1.969971      0.197129      4.978454
  H      -0.248407      2.441093      5.650572
  H      -0.737751      1.093586      6.661090
  H      -0.896591      5.998750      6.146384
  H      -0.718192      4.600173      5.079695
  H      -1.716696      4.584165      7.978586
  H      -0.156278      3.936784      7.407068
  H      -4.336653      2.386637      9.183464
  H      -3.520868      3.933305      8.914706
  H      -2.880311      1.202134      7.675950
  H      -1.880114      2.095468      8.859758
  C      -4.041864      1.112764      3.658612
  C      -4.129998     -0.412243      3.909473
  C      -5.459356     -1.016178      3.395488
  C      -5.865251     -0.505574      2.036125
  N      -6.861565      0.356753      2.001244
  C      -7.201386      0.882891      0.789493
  N      -6.630298      0.658507     -0.382222
  C      -5.608757     -0.242969     -0.377835
  C      -4.947345     -0.552193     -1.601287
  C      -3.941425     -1.473026     -1.623944
  C      -3.544002     -2.129486     -0.432752
  C      -4.157583     -1.840534      0.779129
  C      -5.192105     -0.888487      0.833856
  C      -3.228457      6.536615      5.383954
  C      -3.211900      7.172225      3.980994
  C      -4.231815      6.581509      2.998494
  C      -5.683102      6.752349      3.381119
  N      -5.995483      7.551197      4.398158
  C      -7.300784      7.604527      4.799394
  N      -8.319449      6.928966      4.307163
  C      -8.034237      6.146159      3.218792
  C      -9.077152      5.418265      2.616162
  C      -8.821314      4.657707      1.513303
  C      -7.519793      4.593329      0.958911
  C      -6.481201      5.272345      1.538386
  C      -6.708505      6.052093      2.681795
  C      -6.139627      3.233438      7.554906
  C      -6.848611      4.524296      7.154885
  C      -8.374950      4.485650      7.216356
  C      -9.062838      3.704642      6.125358
  N      -8.345605      2.866616      5.397677
  C      -8.975060      2.190201      4.401310
  N     -10.255341      2.244527      4.071086
  C     -11.023417      3.091123      4.812213
  C     -12.404992      3.205209      4.512423
  C     -13.197517      4.071529      5.221086
  C     -12.650613      4.855151      6.259709
  C     -11.307769      4.754374      6.578949
  C     -10.465582      3.873188      5.867602
  H      -3.650564      1.291962      2.633778
  H      -5.058489      1.534645      3.695617
  H      -4.086390     -0.612451      4.994266
  H      -3.268225     -0.928720      3.454527
  H      -5.375876     -2.121637      3.390907
  H      -6.278567     -0.746380      4.087864
  H      -7.990153      1.572585      0.806654
  H      -5.275510     -0.043742     -2.508446
  H      -3.440228     -1.710839     -2.570683
  H      -2.744574     -2.869038     -0.475797
  H      -3.846680     -2.350145      1.693940
  H      -4.258598      6.578011      5.762415
  H      -2.624390      7.175998      6.057219
  H      -2.201327      7.076205      3.537393
  H      -3.405287      8.254404      4.108661
  H      -4.075216      7.031702      1.997352
  H      -4.054288      5.494019      2.869576
  H      -7.513767      8.287860      5.641994
  H     -10.077062      5.490330      3.055351
  H      -9.627074      4.094870      1.053495
  H      -7.342627      3.993294      0.071252
  H      -5.479560      5.211595      1.109444
  H      -6.289985      3.047073      8.630121
  H      -6.611310      2.404357      7.010029
  H      -6.486777      5.338212      7.793687
  H      -6.554030      4.759289      6.128491
  H      -8.724567      4.103890      8.185904
  H      -8.744975      5.516291      7.158308
  H      -8.341612      1.541124      3.809197
  H     -12.808431      2.590219      3.707974
  H     -14.261415      4.163660      4.982474
  H     -13.294164      5.546492      6.809623
  H     -10.896970      5.365576      7.381792
  N      -5.226474      3.947558      4.564214
96
Coordinates from ORCA-job orca E -6203.157830550380
  N      -3.253188      1.847918      4.661544
  Mo     -3.885950      3.535982      5.501576
  N      -4.701992      3.262484      7.296827
  C      -3.824633      3.002132      8.427948
  C      -2.581139      2.218026      8.012823
  N      -1.918720      2.831011      6.855604
  C      -1.134698      1.891440      6.041452
  C      -1.922404      1.278043      4.863797
  C      -1.224504      4.098100      7.128199
  C      -1.327927      5.002683      5.899163
  N      -2.723598      5.154769      5.487440
  H      -1.325420      1.404059      3.940245
  H      -1.998092      0.192095      5.018770
  H      -0.256380      2.421202      5.655642
  H      -0.746122      1.080125      6.677488
  H      -0.892147      5.986853      6.139002
  H      -0.714253      4.582296      5.080976
  H      -1.728703      4.590355      7.971522
  H      -0.167807      3.932878      7.416055
  H      -4.351982      2.409541      9.197981
  H      -3.525186      3.950887      8.920418
  H      -2.896748      1.212724      7.699109
  H      -1.890528      2.106990      8.873995
  C      -4.044183      1.122338      3.665382
  C      -4.144958     -0.388746      3.900708
  C      -5.461108     -0.975653      3.363994
  C      -5.857825     -0.471264      2.003432
  N      -6.876100      0.403068      1.958595
  C      -7.225519      0.917001      0.745830
  N      -6.658706      0.674701     -0.414871
  C      -5.620607     -0.235345     -0.399947
  C      -4.969974     -0.566313     -1.608270
  C      -3.957913     -1.486625     -1.610975
  C      -3.551737     -2.118317     -0.417739
  C      -4.158493     -1.810703      0.772744
  C      -5.191466     -0.864097      0.811653
  C      -3.209737      6.534631      5.371587
  C      -3.193037      7.170387      3.972821
  C      -4.199691      6.591363      2.989831
  C      -5.636317      6.741468      3.379464
  N      -5.933584      7.515203      4.402472
  C      -7.229186      7.569020      4.800471
  N      -8.250475      6.921100      4.309937
  C      -7.982976      6.155828      3.222860
  C      -9.052769      5.450384      2.628658
  C      -8.829067      4.681930      1.501020
  C      -7.526594      4.598044      0.927636
  C      -6.460749      5.264070      1.507255
  C      -6.664753      6.050063      2.675710
  C      -6.149128      3.265692      7.579649
  C      -6.862735      4.561652      7.146059
  C      -8.392973      4.515182      7.210028
  C      -9.076340      3.708838      6.126281
  N      -8.355244      2.851590      5.408694
  C      -8.973256      2.146093      4.417128
  N     -10.235334      2.176838      4.082165
  C     -11.013193      3.044619      4.814415
  C     -12.386279      3.130631      4.517617
  C     -13.194003      3.999123      5.239505
  C     -12.656592      4.806680      6.280704
  C     -11.324586      4.742816      6.590617
  C     -10.472186      3.860337      5.869981
  H      -3.642697      1.298616      2.646162
  H      -5.051998      1.544862      3.691193
  H      -4.115359     -0.579368      4.984230
  H      -3.292322     -0.913348      3.454564
  H      -5.395069     -2.064631      3.351164
  H      -6.265386     -0.697988      4.049020
  H      -8.081886      1.612880      0.751488
  H      -5.302047     -0.076374     -2.519458
  H      -3.453496     -1.743931     -2.545616
  H      -2.748508     -2.856743     -0.445215
  H      -3.838291     -2.304776      1.689620
  H      -4.236120      6.582009      5.744448
  H      -2.609101      7.167837      6.047152
  H      -2.195765      7.084372      3.542842
  H      -3.394953      8.239518      4.096436
  H      -4.061916      7.049142      1.994138
  H      -4.012979      5.520211      2.854233
  H      -7.428391      8.216790      5.648272
  H     -10.053278      5.539501      3.089747
  H      -9.662806      4.134457      1.045167
  H      -7.368915      4.001564      0.025706
  H      -5.458399      5.189971      1.063309
  H      -6.302675      3.103916      8.667906
  H      -6.622488      2.421976      7.050369
  H      -6.507835      5.403746      7.774246
  H      -6.564265      4.778198      6.103790
  H      -8.744797      4.142475      8.195103
  H      -8.770569      5.549799      7.136317
  H      -8.322388      1.460702      3.833822
  H     -12.778422      2.493599      3.714570
  H     -14.250583      4.057988      5.007758
  H     -13.303811      5.478350      6.839394
  H     -10.916932      5.362264      7.394035
  N      -5.225354      3.931414      4.586859
96
Coordinates from ORCA-job orca E -6203.157928363621
  N      -3.240382      1.856042      4.650866
  Mo     -3.883331      3.539540      5.494599
  N      -4.692725      3.252189      7.275763
  C      -3.814373      2.985916      8.415580
  C      -2.565612      2.210255      8.001719
  N      -1.906061      2.835705      6.847115
  C      -1.118807      1.901030      6.030148
  C      -1.910750      1.286269      4.844554
  C      -1.217675      4.106089      7.121159
  C      -1.331478      5.015450      5.897941
  N      -2.730951      5.165247      5.488910
  H      -1.316843      1.422479      3.919230
  H      -1.988020      0.194224      4.994665
  H      -0.241487      2.444226      5.645937
  H      -0.726800      1.085834      6.667210
  H      -0.898396      6.001799      6.140163
  H      -0.718032      4.598413      5.077588
  H      -1.720126      4.593838      7.967232
  H      -0.158289      3.941955      7.403984
  H      -4.340098      2.385011      9.177477
  H      -3.523018      3.931076      8.915659
  H      -2.875710      1.204709      7.683350
  H      -1.875974      2.099280      8.862187
  C      -4.041679      1.138429      3.656818
  C      -4.144898     -0.376939      3.904519
  C      -5.472181     -0.983107      3.375381
  C      -5.874499     -0.488732      2.013819
  N      -6.875590      0.389023      1.963942
  C      -7.190186      0.898312      0.751702
  N      -6.613152      0.651290     -0.406806
  C      -5.601425     -0.259853     -0.387112
  C      -4.955565     -0.588842     -1.597097
  C      -3.925115     -1.528419     -1.603712
  C      -3.509224     -2.164835     -0.408007
  C      -4.121300     -1.853969      0.783130
  C      -5.184462     -0.890815      0.823473
  C      -3.211105      6.541808      5.375916
  C      -3.189147      7.175157      3.976787
  C      -4.220682      6.599514      2.994772
  C      -5.675881      6.770792      3.393242
  N      -5.966469      7.546890      4.435553
  C      -7.261941      7.589623      4.834760
  N      -8.290975      6.927037      4.334184
  C      -8.029401      6.157129      3.222387
  C      -9.081080      5.421432      2.608597
  C      -8.835302      4.651827      1.475767
  C      -7.543534      4.596500      0.919670
  C      -6.498737      5.287206      1.513984
  C      -6.716104      6.071946      2.681774
  C      -6.135052      3.232984      7.567715
  C      -6.856735      4.516540      7.160953
  C      -8.383948      4.460390      7.227717
  C      -9.068025      3.674921      6.131670
  N      -8.351797      2.860198      5.400152
  C      -8.976810      2.200031      4.394468
  N     -10.251955      2.258374      4.058035
  C     -11.025154      3.083797      4.807096
  C     -12.413243      3.215192      4.503643
  C     -13.222510      4.085953      5.233661
  C     -12.674098      4.842327      6.290613
  C     -11.324033      4.719567      6.608821
  C     -10.471224      3.842934      5.877563
  H      -3.644588      1.311749      2.638321
  H      -5.045775      1.571125      3.685208
  H      -4.106806     -0.567802      4.988505
  H      -3.284807     -0.900731      3.458981
  H      -5.389285     -2.087770      3.372636
  H      -6.292069     -0.708479      4.055311
  H      -8.074028      1.606853      0.755515
  H      -5.293721     -0.091063     -2.509858
  H      -3.434531     -1.783258     -2.537454
  H      -2.708065     -2.904745     -0.431368
  H      -3.802856     -2.351631      1.700723
  H      -4.241861      6.594106      5.757004
  H      -2.603089      7.177411      6.046397
  H      -2.178095      7.071092      3.533737
  H      -3.376975      8.251426      4.110887
  H      -4.076039      7.056551      2.003339
  H      -4.043442      5.524127      2.851089
  H      -7.459991      8.233449      5.696501
  H     -10.065534      5.475674      3.049310
  H      -9.641984      4.078708      1.009296
  H      -7.363445      3.991847      0.023637
  H      -5.502067      5.223457      1.089132
  H      -6.275154      3.056810      8.647129
  H      -6.606349      2.392080      7.033069
  H      -6.498535      5.348305      7.794759
  H      -6.573454      4.745011      6.125364
  H      -8.729887      4.075486      8.206168
  H      -8.762648      5.492986      7.166293
  H      -8.334787      1.564016      3.795597
  H     -12.815838      2.626322      3.685841
  H     -14.292357      4.196594      4.992717
  H     -13.326346      5.535292      6.853039
  H     -10.910166      5.312643      7.423026
  N      -5.217569      3.929389      4.581009
96
Coordinates from ORCA-job orca E -6203.158254928630
  N      -3.252183      1.863352      4.644521
  Mo     -3.896222      3.539611      5.500654
  N      -4.701030      3.240767      7.291563
  C      -3.818363      2.964572      8.422459
  C      -2.570686      2.193608      7.993840
  N      -1.919610      2.834283      6.843860
  C      -1.129025      1.913342      6.018544
  C      -1.921928      1.295384      4.834918
  C      -1.234717      4.102117      7.133293
  C      -1.347913      5.018498      5.914839
  N      -2.747506      5.163027      5.502180
  H      -1.332152      1.424214      3.906385
  H      -2.001376      0.203704      4.989016
  H      -0.260638      2.465214      5.634991
  H      -0.729851      1.099556      6.649891
  H      -0.917427      6.002714      6.163878
  H      -0.730931      4.608734      5.093987
  H      -1.740828      4.581981      7.981608
  H      -0.175342      3.943048      7.418813
  H      -4.335036      2.354240      9.182540
  H      -3.523185      3.904969      8.935069
  H      -2.881574      1.189555      7.666569
  H      -1.876276      2.074147      8.853077
  C      -4.050140      1.142068      3.648892
  C      -4.149168     -0.376081      3.894587
  C      -5.475376     -0.985390      3.370655
  C      -5.873487     -0.494587      2.011066
  N      -6.878315      0.368349      1.966700
  C      -7.219430      0.878822      0.756216
  N      -6.642834      0.641482     -0.407843
  C      -5.605690     -0.259066     -0.394487
  C      -4.941396     -0.577608     -1.612760
  C      -3.903666     -1.509620     -1.630494
  C      -3.502319     -2.152216     -0.436967
  C      -4.123362     -1.850398      0.767346
  C      -5.182847     -0.891811      0.816427
  C      -3.232925      6.535579      5.380319
  C      -3.211088      7.158128      3.975848
  C      -4.234010      6.570848      2.998151
  C      -5.685632      6.750669      3.381455
  N      -5.985896      7.543020      4.412937
  C      -7.283315      7.593447      4.811566
  N      -8.309130      6.923515      4.310825
  C      -8.036599      6.140437      3.206108
  C      -9.076050      5.400749      2.591507
  C      -8.814460      4.629676      1.478288
  C      -7.522262      4.575198      0.932387
  C      -6.490798      5.268277      1.522500
  C      -6.718481      6.051214      2.673290
  C      -6.145170      3.238805      7.583165
  C      -6.842908      4.533106      7.184068
  C      -8.375551      4.515175      7.243692
  C      -9.059340      3.740787      6.145676
  N      -8.330039      2.873724      5.420522
  C      -8.948122      2.189995      4.417476
  N     -10.232875      2.267068      4.080373
  C     -11.012730      3.134559      4.821464
  C     -12.390986      3.236449      4.518702
  C     -13.184715      4.067088      5.236747
  C     -12.646484      4.845367      6.283229
  C     -11.309763      4.774518      6.601274
  C     -10.463296      3.915525      5.883504
  H      -3.653564      1.319731      2.628329
  H      -5.059465      1.573977      3.680845
  H      -4.109137     -0.570578      4.978772
  H      -3.287712     -0.895708      3.444114
  H      -5.391112     -2.089085      3.368736
  H      -6.295628     -0.712347      4.051562
  H      -8.032223      1.574747      0.766699
  H      -5.281798     -0.075905     -2.521655
  H      -3.408566     -1.753794     -2.571010
  H      -2.703418     -2.888394     -0.470257
  H      -3.814939     -2.348769      1.682601
  H      -4.261763      6.586238      5.760107
  H      -2.622619      7.176106      6.044919
  H      -2.200116      7.046557      3.534312
  H      -3.394971      8.240895      4.097462
  H      -4.078687      7.014899      1.998485
  H      -4.056073      5.486928      2.874905
  H      -7.487453      8.258412      5.665470
  H     -10.064295      5.460618      3.022084
  H      -9.609915      4.054267      1.012175
  H      -7.335701      3.968228      0.044158
  H      -5.495502      5.209836      1.101617
  H      -6.291663      3.062573      8.660716
  H      -6.627573      2.408711      7.051098
  H      -6.476415      5.344814      7.820767
  H      -6.541381      4.761904      6.157902
  H      -8.743618      4.135121      8.214289
  H      -8.729661      5.556459      7.185320
  H      -8.302406      1.509290      3.824228
  H     -12.784380      2.618570      3.708640
  H     -14.240530      4.131367      4.999658
  H     -13.287864      5.500805      6.841766
  H     -10.905656      5.376430      7.412114
  N      -5.241042      3.944813      4.581611
96
Coordinates from ORCA-job orca E -6203.158326238085
  N      -3.242019      1.841539      4.663503
  Mo     -3.881017      3.530839      5.504605
  N      -4.697804      3.252868      7.297479
  C      -3.818836      2.987410      8.428883
  C      -2.569850      2.211780      8.007393
  N      -1.911236      2.830667      6.849977
  C      -1.124369      1.898768      6.034776
  C      -1.913562      1.267974      4.869512
  C      -1.220564      4.098592      7.130964
  C      -1.324082      5.009322      5.903590
  N      -2.720558      5.154470      5.489875
  H      -1.316941      1.374141      3.942482
  H      -1.996019      0.185633      5.042943
  H      -0.261680      2.435613      5.641894
  H      -0.725018      1.100732      6.668954
  H      -0.893201      5.993631      6.148001
  H      -0.705776      4.594828      5.083779
  H      -1.729964      4.586108      7.976254
  H      -0.163878      3.934908      7.422337
  H      -4.341371      2.384391      9.193914
  H      -3.524175      3.932567      8.931810
  H      -2.879166      1.204786      7.692556
  H      -1.878544      2.104818      8.867007
  C      -4.037002      1.109037      3.668459
  C      -4.145804     -0.400799      3.919646
  C      -5.463515     -0.974553      3.393170
  C      -5.848805     -0.466436      2.032091
  N      -6.843413      0.395977      1.995904
  C      -7.193249      0.920818      0.782712
  N      -6.633093      0.695496     -0.388470
  C      -5.605534     -0.206687     -0.382333
  C      -4.953839     -0.518667     -1.604395
  C      -3.949906     -1.435813     -1.622397
  C      -3.547884     -2.087204     -0.429596
  C      -4.163048     -1.795883      0.779756
  C      -5.186456     -0.848748      0.830901
  C      -3.219185      6.532629      5.356445
  C      -3.203389      7.155730      3.943091
  C      -4.202752      6.554319      2.964874
  C      -5.640246      6.708667      3.354634
  N      -5.935764      7.503182      4.373554
  C      -7.238373      7.566707      4.785033
  N      -8.270274      6.909089      4.301150
  C      -8.003180      6.127515      3.212772
  C      -9.074940      5.426202      2.621385
  C      -8.849159      4.673967      1.509479
  C      -7.543757      4.585882      0.938706
  C      -6.474991      5.237315      1.510131
  C      -6.677326      6.015423      2.662171
  C      -6.141215      3.250752      7.585423
  C      -6.861753      4.541845      7.155565
  C      -8.388773      4.487744      7.222264
  C      -9.073976      3.690524      6.133811
  N      -8.353273      2.853568      5.405723
  C      -8.976546      2.171570      4.406962
  N     -10.249773      2.212297      4.074677
  C     -11.023687      3.059003      4.816105
  C     -12.403406      3.167441      4.514065
  C     -13.205960      4.040218      5.225077
  C     -12.665788      4.828344      6.267266
  C     -11.324827      4.733431      6.587801
  C     -10.474588      3.849749      5.874729
  H      -3.631384      1.276325      2.648855
  H      -5.045864      1.537188      3.685051
  H      -4.115048     -0.590215      5.004863
  H      -3.298257     -0.931216      3.474806
  H      -5.406601     -2.060296      3.385888
  H      -6.263321     -0.689568      4.079392
  H      -8.036308      1.613183      0.797570
  H      -5.283329     -0.014515     -2.512871
  H      -3.442976     -1.676954     -2.568070
  H      -2.734922     -2.826869     -0.470176
  H      -3.845434     -2.302298      1.695865
  H      -4.245436      6.575543      5.727406
  H      -2.623107      7.180001      6.026602
  H      -2.205530      7.069541      3.511782
  H      -3.407882      8.231159      4.052093
  H      -4.060307      7.001084      1.957859
  H      -4.014732      5.475753      2.844606
  H      -7.435050      8.244175      5.631385
  H     -10.080128      5.521188      3.077693
  H      -9.681912      4.137874      1.056491
  H      -7.390100      4.000119      0.044157
  H      -5.471163      5.160504      1.068145
  H      -6.286280      3.090951      8.675643
  H      -6.614998      2.401871      7.060157
  H      -6.506057      5.378829      7.784453
  H      -6.571587      4.763801      6.115546
  H      -8.732073      4.108175      8.199452
  H      -8.770063      5.515551      7.159640
  H      -8.335900      1.520070      3.814024
  H     -12.800524      2.549830      3.707333
  H     -14.269393      4.128253      4.985141
  H     -13.315223      5.518649      6.818431
  H     -10.918681      5.346724      7.392186
  N      -5.223652      3.934774      4.571222
96
Coordinates from ORCA-job orca E -6203.159089829353
  N      -3.246261      1.869528      4.640189
  Mo     -3.895941      3.541843      5.509157
  N      -4.697385      3.247517      7.295722
  C      -3.818737      2.960958      8.429964
  C      -2.568875      2.195853      8.001452
  N      -1.918396      2.835798      6.851644
  C      -1.128762      1.915925      6.020277
  C      -1.921239      1.294329      4.841128
  C      -1.237180      4.107542      7.135945
  C      -1.350893      5.022455      5.919174
  N      -2.747529      5.168460      5.504032
  H      -1.325878      1.416155      3.914166
  H      -2.002767      0.205866      5.001612
  H      -0.264884      2.469449      5.631297
  H      -0.721406      1.103261      6.647266
  H      -0.922046      6.007667      6.171511
  H      -0.734204      4.615150      5.097346
  H      -1.744687      4.587099      7.983172
  H      -0.178849      3.950067      7.421931
  H      -4.343886      2.345694      9.180969
  H      -3.529337      3.898698      8.946909
  H      -2.875212      1.192041      7.671914
  H      -1.875372      2.078466      8.859582
  C      -4.048035      1.155934      3.640758
  C      -4.150650     -0.368092      3.884402
  C      -5.483214     -0.988093      3.356084
  C      -5.893244     -0.489096      1.992861
  N      -6.898867      0.389887      1.940570
  C      -7.201490      0.897695      0.725441
  N      -6.613209      0.647707     -0.431781
  C      -5.613396     -0.265520     -0.408996
  C      -4.965246     -0.603552     -1.613070
  C      -3.959699     -1.532574     -1.608942
  C      -3.549013     -2.164014     -0.411496
  C      -4.156535     -1.848292      0.774662
  C      -5.204867     -0.891750      0.805554
  C      -3.225238      6.540922      5.387885
  C      -3.200621      7.164963      3.992476
  C      -4.229093      6.595291      3.011522
  C      -5.680569      6.769647      3.391446
  N      -5.990954      7.543619      4.412829
  C      -7.288840      7.590441      4.797240
  N      -8.297991      6.931255      4.297681
  C      -8.015961      6.165433      3.210225
  C      -9.059816      5.432290      2.604274
  C      -8.810016      4.650927      1.480177
  C      -7.511259      4.586535      0.922681
  C      -6.471272      5.277702      1.515168
  C      -6.698901      6.072842      2.678311
  C      -6.141311      3.250521      7.589926
  C      -6.844386      4.546252      7.175364
  C      -8.374199      4.506422      7.235158
  C      -9.052043      3.716614      6.141411
  N      -8.330242      2.881379      5.422708
  C      -8.945560      2.192881      4.422204
  N     -10.207807      2.226651      4.080456
  C     -10.986271      3.071382      4.815332
  C     -12.361326      3.166052      4.510144
  C     -13.174629      4.035969      5.232518
  C     -12.638906      4.830138      6.281651
  C     -11.302970      4.749226      6.600226
  C     -10.447108      3.869888      5.879045
  H      -3.643365      1.334212      2.622556
  H      -5.053097      1.591377      3.670030
  H      -4.114233     -0.559954      4.968376
  H      -3.281619     -0.891202      3.440460
  H      -5.389843     -2.102349      3.351157
  H      -6.315357     -0.720113      4.041113
  H      -8.056004      1.600349      0.725789
  H      -5.291337     -0.113364     -2.527980
  H      -3.464047     -1.795727     -2.540328
  H      -2.754508     -2.907552     -0.431785
  H      -3.841485     -2.343391      1.694959
  H      -4.255123      6.599646      5.763096
  H      -2.616662      7.173835      6.055043
  H      -2.191426      7.054798      3.558025
  H      -3.385997      8.239906      4.118273
  H      -4.078240      7.048161      2.023040
  H      -4.055000      5.518385      2.872310
  H      -7.501823      8.237575      5.642832
  H     -10.053990      5.497140      3.051342
  H      -9.619324      4.074489      1.016720
  H      -7.329638      3.973125      0.025968
  H      -5.467683      5.205321      1.087191
  H      -6.286691      3.081430      8.669667
  H      -6.624767      2.418719      7.060389
  H      -6.485070      5.375238      7.808427
  H      -6.544114      4.769910      6.142029
  H      -8.729934      4.126232      8.214089
  H      -8.749528      5.542811      7.167733
  H      -8.294978      1.531456      3.835397
  H     -12.753110      2.544521      3.699112
  H     -14.235089      4.110379      4.993040
  H     -13.292528      5.512231      6.838083
  H     -10.896539      5.364747      7.408509
  N      -5.224674      3.947570      4.598323
96
Coordinates from ORCA-job orca E -6203.158059473411
  N      -3.238531      1.867978      4.657037
  Mo     -3.875341      3.542768      5.504152
  N      -4.691244      3.252024      7.287995
  C      -3.816646      2.972164      8.423485
  C      -2.564473      2.200058      8.006418
  N      -1.903618      2.835167      6.856194
  C      -1.111341      1.905436      6.038260
  C      -1.915044      1.279753      4.866922
  C      -1.217988      4.104922      7.140756
  C      -1.319843      5.018583      5.915284
  N      -2.720044      5.166018      5.496335
  H      -1.317356      1.386619      3.940350
  H      -2.012844      0.192189      5.040716
  H      -0.239814      2.458261      5.643888
  H      -0.705303      1.093378      6.676093
  H      -0.890489      6.005676      6.162077
  H      -0.695174      4.603638      5.100260
  H      -1.732364      4.591469      7.981524
  H      -0.160227      3.941322      7.436039
  H      -4.341963      2.357552      9.176313
  H      -3.526111      3.909468      8.940449
  H      -2.873785      1.194897      7.684216
  H      -1.873805      2.084187      8.867009
  C      -4.032487      1.151554      3.655182
  C      -4.153712     -0.350052      3.902274
  C      -5.470795     -0.938317      3.366301
  C      -5.862206     -0.462403      2.001740
  N      -6.881483      0.410696      1.941167
  C      -7.238412      0.910824      0.726303
  N      -6.667117      0.657879     -0.424970
  C      -5.613334     -0.250909     -0.396294
  C      -4.947964     -0.584781     -1.602548
  C      -3.897917     -1.523990     -1.603718
  C      -3.498115     -2.151382     -0.405631
  C      -4.113517     -1.835244      0.783099
  C      -5.177076     -0.873349      0.818037
  C      -3.197134      6.548270      5.359370
  C      -3.177038      7.160353      3.942709
  C      -4.215391      6.568476      2.969922
  C      -5.668380      6.741755      3.376747
  N      -5.946496      7.516997      4.424224
  C      -7.239752      7.564956      4.829205
  N      -8.281575      6.909832      4.329396
  C      -8.033211      6.140524      3.212069
  C      -9.091747      5.414122      2.597254
  C      -8.852177      4.651080      1.465998
  C      -7.562296      4.589763      0.911293
  C      -6.511802      5.270000      1.504467
  C      -6.720486      6.048617      2.669201
  C      -6.134816      3.240716      7.583489
  C      -6.861630      4.521082      7.171280
  C      -8.389507      4.463643      7.238535
  C      -9.074734      3.677656      6.139223
  N      -8.353335      2.843066      5.402863
  C      -8.976448      2.182462      4.392819
  N     -10.257385      2.260895      4.056184
  C     -11.033775      3.101021      4.810662
  C     -12.421725      3.234766      4.507744
  C     -13.226498      4.082319      5.243274
  C     -12.678581      4.826585      6.304644
  C     -11.330863      4.715467      6.620939
  C     -10.479564      3.852532      5.885068
  H      -3.623288      1.314433      2.642723
  H      -5.031439      1.594202      3.669887
  H      -4.124451     -0.532282      4.986297
  H      -3.306516     -0.883689      3.464432
  H      -5.403833     -2.028774      3.371999
  H      -6.276493     -0.649632      4.034602
  H      -8.070278      1.612918      0.723304
  H      -5.290687     -0.092874     -2.516404
  H      -3.400645     -1.781361     -2.534424
  H      -2.706762     -2.887326     -0.424198
  H      -3.801849     -2.325239      1.701880
  H      -4.229066      6.609567      5.745486
  H      -2.583607      7.198259      6.018851
  H      -2.165799      7.046146      3.492340
  H      -3.358952      8.243541      4.063124
  H      -4.077099      7.013765      1.966711
  H      -4.037168      5.490901      2.838604
  H      -7.424171      8.199956      5.697761
  H     -10.073130      5.470605      3.034174
  H      -9.662293      4.085832      0.999973
  H      -7.387284      3.987569      0.016219
  H      -5.517868      5.201834      1.083867
  H      -6.269423      3.074998      8.668077
  H      -6.608464      2.390920      7.060385
  H      -6.504938      5.357728      7.803840
  H      -6.580305      4.747426      6.131999
  H      -8.739915      4.076597      8.217383
  H      -8.763241      5.499819      7.180111
  H      -8.333359      1.534479      3.787843
  H     -12.821504      2.649751      3.686151
  H     -14.292762      4.182358      5.005050
  H     -13.326351      5.496156      6.873810
  H     -10.918754      5.297399      7.439530
  N      -5.225773      3.928228      4.590767
96
Coordinates from ORCA-job orca E -6203.160396535259
  N      -3.243358      1.861286      4.642320
  Mo     -3.895486      3.534921      5.508761
  N      -4.698016      3.226929      7.300972
  C      -3.813773      2.939876      8.424958
  C      -2.561933      2.184538      7.983162
  N      -1.919006      2.834485      6.836470
  C      -1.124423      1.926738      6.003069
  C      -1.918899      1.288238      4.841378
  C      -1.241882      4.102426      7.138193
  C      -1.354242      5.025875      5.926628
  N      -2.749026      5.161999      5.509495
  H      -1.329415      1.387782      3.910084
  H      -2.004359      0.203803      5.020660
  H      -0.278467      2.487883      5.604244
  H      -0.701924      1.128718      6.627438
  H      -0.931804      6.009500      6.186064
  H      -0.731912      4.628706      5.104229
  H      -1.755143      4.572133      7.988054
  H      -0.184475      3.947490      7.428429
  H      -4.327051      2.313778      9.174903
  H      -3.526856      3.874845      8.952327
  H      -2.862991      1.179953      7.649825
  H      -1.864760      2.068219      8.839576
  C      -4.039306      1.135993      3.648613
  C      -4.144347     -0.383409      3.903929
  C      -5.471929     -0.978400      3.387545
  C      -5.866451     -0.479598      2.026549
  N      -6.856374      0.381145      1.987012
  C      -7.192340      0.898128      0.775762
  N      -6.626625      0.668399     -0.393627
  C      -5.599453     -0.232099     -0.384350
  C      -4.943548     -0.545410     -1.606443
  C      -3.916916     -1.473587     -1.625831
  C      -3.517662     -2.120781     -0.431533
  C      -4.146281     -1.824107      0.776377
  C      -5.187884     -0.869304      0.827402
  C      -3.248954      6.531656      5.371002
  C      -3.228583      7.148100      3.959802
  C      -4.228843      6.543491      2.984268
  C      -5.672932      6.714729      3.362729
  N      -5.975928      7.525103      4.383421
  C      -7.275908      7.583786      4.785303
  N      -8.303334      6.911359      4.292541
  C      -8.028816      6.115733      3.196018
  C      -9.081396      5.391344      2.587590
  C      -8.829306      4.623686      1.474659
  C      -7.529299      4.551310      0.924025
  C      -6.482906      5.225075      1.510635
  C      -6.704966      6.011849      2.660193
  C      -6.139838      3.229458      7.598651
  C      -6.841168      4.523970      7.195750
  C      -8.373327      4.498564      7.253041
  C      -9.056649      3.732416      6.151575
  N      -8.329663      2.888136      5.424702
  C      -8.947791      2.217545      4.416875
  N     -10.228440      2.281790      4.076907
  C     -11.008099      3.132861      4.818938
  C     -12.386998      3.238212      4.512222
  C     -13.186139      4.081910      5.227780
  C     -12.650655      4.863226      6.276261
  C     -11.311235      4.779115      6.599692
  C     -10.460389      3.909591      5.884723
  H      -3.633566      1.308212      2.628265
  H      -5.049087      1.570265      3.670533
  H      -4.105504     -0.576356      4.990236
  H      -3.287812     -0.910326      3.454551
  H      -5.397980     -2.076518      3.384727
  H      -6.283536     -0.700987      4.075066
  H      -8.048930      1.595146      0.789333
  H      -5.275892     -0.041179     -2.515637
  H      -3.411524     -1.714391     -2.569400
  H      -2.694818     -2.859114     -0.467672
  H      -3.834418     -2.325635      1.692678
  H      -4.274574      6.573643      5.740478
  H      -2.652374      7.179829      6.036274
  H      -2.226020      7.049459      3.528637
  H      -3.425131      8.226323      4.064611
  H      -4.073259      6.981704      1.977597
  H      -4.044566      5.459781      2.875149
  H      -7.483044      8.274681      5.629112
  H     -10.079573      5.472821      3.025147
  H      -9.638101      4.068321      1.010771
  H      -7.353070      3.955966      0.033614
  H      -5.483220      5.155934      1.085144
  H      -6.281215      3.059785      8.679877
  H      -6.625479      2.396189      7.072259
  H      -6.478173      5.333751      7.834094
  H      -6.539699      4.756529      6.171985
  H      -8.734449      4.110463      8.216653
  H      -8.735556      5.531635      7.204441
  H      -8.302791      1.554618      3.822939
  H     -12.779330      2.622323      3.699935
  H     -14.244793      4.156025      4.986357
  H     -13.296704      5.532692      6.831858
  H     -10.909110      5.383522      7.411307
  N      -5.228123      3.949001      4.580582
96
Coordinates from ORCA-job orca E -6203.159394835142
  N      -3.258479      1.864763      4.655271
  Mo     -3.894469      3.543095      5.517833
  N      -4.702980      3.264296      7.309135
  C      -3.825183      2.975028      8.443165
  C      -2.575507      2.203366      8.014828
  N      -1.920585      2.831204      6.859116
  C      -1.137549      1.902075      6.033194
  C      -1.941479      1.267335      4.875865
  C      -1.229303      4.101554      7.137574
  C      -1.331154      5.013499      5.913445
  N      -2.727804      5.166393      5.493340
  H      -1.340970      1.351439      3.949868
  H      -2.043597      0.187601      5.065425
  H      -0.279484      2.448145      5.631761
  H      -0.724092      1.099554      6.660659
  H      -0.897953      5.997898      6.162901
  H      -0.712294      4.598800      5.094307
  H      -1.739700      4.590709      7.980749
  H      -0.172664      3.936825      7.430464
  H      -4.354444      2.360924      9.193680
  H      -3.533371      3.911401      8.961700
  H      -2.884622      1.198232      7.693750
  H      -1.881669      2.089724      8.870413
  C      -4.056882      1.147086      3.650535
  C      -4.177389     -0.364606      3.901420
  C      -5.498905     -0.959310      3.362698
  C      -5.881879     -0.460204      1.997835
  N      -6.894141      0.408247      1.949056
  C      -7.202657      0.917832      0.730842
  N      -6.605950      0.676926     -0.433133
  C      -5.599185     -0.228340     -0.413413
  C      -4.955843     -0.557595     -1.624053
  C      -3.957958     -1.476662     -1.624342
  C      -3.536202     -2.114909     -0.424590
  C      -4.138611     -1.807416      0.772036
  C      -5.185692     -0.856889      0.805395
  C      -3.202720      6.543805      5.357991
  C      -3.180692      7.152373      3.950685
  C      -4.203164      6.573226      2.975237
  C      -5.646972      6.738985      3.362427
  N      -5.945075      7.517551      4.380789
  C      -7.245962      7.576084      4.782498
  N      -8.267824      6.920703      4.294482
  C      -7.998118      6.149368      3.209459
  C      -9.059545      5.429047      2.618086
  C      -8.829915      4.659865      1.504528
  C      -7.530537      4.583741      0.935674
  C      -6.472100      5.258850      1.510737
  C      -6.678988      6.046836      2.664786
  C      -6.144991      3.272728      7.608496
  C      -6.857855      4.566345      7.161153
  C      -8.384228      4.510191      7.233178
  C      -9.061155      3.693066      6.146526
  N      -8.336786      2.855034      5.423968
  C      -8.950979      2.158785      4.424588
  N     -10.217335      2.188780      4.088580
  C     -10.996215      3.034747      4.826064
  C     -12.372029      3.134033      4.520494
  C     -13.181760      4.004176      5.234078
  C     -12.647571      4.796428      6.279324
  C     -11.311207      4.714179      6.600463
  C     -10.456849      3.837155      5.886014
  H      -3.640325      1.309906      2.636494
  H      -5.056196      1.588909      3.660460
  H      -4.154174     -0.546957      4.986046
  H      -3.319317     -0.898762      3.468095
  H      -5.426613     -2.061133      3.357134
  H      -6.322169     -0.678085      4.042522
  H      -8.016839      1.609373      0.735351
  H      -5.293801     -0.064119     -2.539770
  H      -3.474270     -1.732330     -2.560985
  H      -2.753567     -2.855532     -0.450842
  H      -3.822234     -2.305923      1.693480
  H      -4.231799      6.609588      5.733930
  H      -2.591489      7.185247      6.017489
  H      -2.176748      7.042330      3.519970
  H      -3.369039      8.228487      4.061144
  H      -4.062582      7.021162      1.980738
  H      -4.023791      5.499434      2.843029
  H      -7.444264      8.228259      5.631028
  H     -10.057574      5.505671      3.074888
  H      -9.655528      4.097448      1.052377
  H      -7.369511      3.978502      0.041522
  H      -5.469514      5.181553      1.072636
  H      -6.284821      3.129086      8.701529
  H      -6.627994      2.419525      7.096618
  H      -6.500079      5.421011      7.779389
  H      -6.567599      4.772021      6.110232
  H      -8.727021      4.139061      8.224138
  H      -8.770814      5.544632      7.155493
  H      -8.303628      1.507359      3.833794
  H     -12.763961      2.515555      3.711150
  H     -14.243473      4.085523      4.992527
  H     -13.302155      5.482715      6.830192
  H     -10.907903      5.332627      7.405719
  N      -5.239292      3.938977      4.596899
96
Coordinates from ORCA-job orca E -6203.160346645401
  N      -3.225770      1.881663      4.645021
  Mo     -3.875704      3.544857      5.516385
  N      -4.686875      3.243194      7.296389
  C      -3.815673      2.942847      8.430404
  C      -2.557930      2.186783      8.003702
  N      -1.902984      2.839541      6.860755
  C      -1.104486      1.926696      6.030386
  C      -1.906090      1.290917      4.863318
  C      -1.228906      4.112090      7.158204
  C      -1.333966      5.033788      5.940592
  N      -2.731291      5.172434      5.515070
  H      -1.305086      1.386101      3.934753
  H      -2.006900      0.206127      5.047307
  H      -0.247651      2.494112      5.631140
  H      -0.681067      1.118903      6.660189
  H      -0.913656      6.020886      6.199346
  H      -0.703504      4.632850      5.123919
  H      -1.749408      4.586557      8.001404
  H      -0.171592      3.957217      7.455379
  H      -4.341518      2.310853      9.168858
  H      -3.532612      3.872221      8.965778
  H      -2.857969      1.182774      7.669397
  H      -1.867761      2.067233      8.864862
  C      -4.021681      1.167563      3.638203
  C      -4.140866     -0.347732      3.885666
  C      -5.471332     -0.945943      3.363293
  C      -5.883345     -0.460089      1.996281
  N      -6.886686      0.416927      1.932012
  C      -7.235697      0.919728      0.713509
  N      -6.673409      0.663954     -0.435953
  C      -5.644700     -0.249875     -0.401822
  C      -4.966524     -0.592902     -1.600437
  C      -3.943970     -1.524450     -1.590400
  C      -3.569764     -2.149442     -0.391624
  C      -4.193041     -1.828388      0.790958
  C      -5.224258     -0.870737      0.816302
  C      -3.209786      6.547938      5.373024
  C      -3.191299      7.148677      3.957788
  C      -4.235501      6.557465      2.987998
  C      -5.689245      6.733839      3.380938
  N      -5.989950      7.507478      4.409298
  C      -7.288245      7.560084      4.796776
  N      -8.309515      6.908565      4.295325
  C      -8.037243      6.144008      3.200774
  C      -9.086089      5.425970      2.588914
  C      -8.840269      4.661172      1.463977
  C      -7.541159      4.588380      0.911106
  C      -6.496279      5.260197      1.507450
  C      -6.719073      6.044536      2.669152
  C      -6.130786      3.239641      7.587767
  C      -6.845795      4.524133      7.185018
  C      -8.373394      4.474112      7.242554
  C      -9.053527      3.699862      6.141841
  N      -8.331191      2.865619      5.417030
  C      -8.947397      2.192043      4.408553
  N     -10.213187      2.243522      4.062885
  C     -10.991021      3.084605      4.804289
  C     -12.368802      3.195835      4.494219
  C     -13.181710      4.059368      5.220546
  C     -12.643953      4.832354      6.279015
  C     -11.305111      4.735607      6.602392
  C     -10.449728      3.863467      5.876841
  H      -3.605594      1.335525      2.624927
  H      -5.023542      1.613106      3.655657
  H      -4.105860     -0.535847      4.970349
  H      -3.284675     -0.879950      3.442352
  H      -5.395838     -2.047442      3.372418
  H      -6.284218     -0.662245      4.043087
  H      -8.097838      1.623220      0.704639
  H      -5.276863     -0.106284     -2.515318
  H      -3.416220     -1.790854     -2.518219
  H      -2.773884     -2.892230     -0.406548
  H      -3.887801     -2.319155      1.712554
  H      -4.241055      6.610826      5.756106
  H      -2.597017      7.200193      6.027841
  H      -2.179992      7.030104      3.508944
  H      -3.369722      8.230694      4.072690
  H      -4.091373      6.996810      1.986008
  H      -4.062625      5.476652      2.859422
  H      -7.491328      8.201471      5.649651
  H     -10.076781      5.490465      3.028608
  H      -9.652176      4.099102      0.997150
  H      -7.361209      3.980651      0.015106
  H      -5.492972      5.181791      1.086763
  H      -6.268701      3.066239      8.663402
  H      -6.610573      2.407788      7.059163
  H      -6.489540      5.345777      7.823348
  H      -6.553796      4.758235      6.157825
  H      -8.726571      4.080766      8.211383
  H      -8.748225      5.506219      7.190053
  H      -8.298777      1.535075      3.815369
  H     -12.760244      2.589453      3.675038
  H     -14.243757      4.146294      4.978052
  H     -13.297192      5.510452      6.839139
  H     -10.898623      5.336966      7.417501
  N      -5.213787      3.947614      4.604974
96
Coordinates from ORCA-job orca E -6203.159744509126
  N      -3.244104      1.867496      4.644581
  Mo     -3.895354      3.536131      5.511442
  N      -4.694423      3.217581      7.306125
  C      -3.806743      2.922083      8.423530
  C      -2.554506      2.173901      7.975623
  N      -1.918077      2.835042      6.833051
  C      -1.120570      1.936553      5.991937
  C      -1.925911      1.284306      4.849433
  C      -1.247161      4.102846      7.142361
  C      -1.359354      5.030939      5.936343
  N      -2.752714      5.162327      5.516783
  H      -1.340084      1.360733      3.915626
  H      -2.022193      0.204379      5.049499
  H      -0.289976      2.511661      5.577003
  H      -0.674255      1.145643      6.611701
  H      -0.944206      6.015993      6.202399
  H      -0.731889      4.640932      5.114974
  H      -1.766240      4.567257      7.991127
  H      -0.190877      3.948159      7.436532
  H      -4.317016      2.286363      9.167039
  H      -3.520673      3.850961      8.961672
  H      -2.852741      1.170265      7.636840
  H      -1.853127      2.054774      8.828367
  C      -4.035164      1.150042      3.650008
  C      -4.154708     -0.359087      3.906799
  C      -5.478714     -0.951895      3.382806
  C      -5.867969     -0.466619      2.020229
  N      -6.874276      0.399603      1.972641
  C      -7.203686      0.906300      0.761414
  N      -6.621251      0.665971     -0.401545
  C      -5.583078     -0.238259     -0.385627
  C      -4.936805     -0.559413     -1.603007
  C      -3.903606     -1.496843     -1.617200
  C      -3.482612     -2.135105     -0.420515
  C      -4.098986     -1.829097      0.779796
  C      -5.166103     -0.868043      0.826118
  C      -3.250151      6.536266      5.364169
  C      -3.224149      7.143695      3.945472
  C      -4.223955      6.534584      2.973236
  C      -5.669509      6.711386      3.359976
  N      -5.957183      7.515825      4.394416
  C      -7.251191      7.572131      4.798337
  N      -8.290471      6.909267      4.302158
  C      -8.032306      6.116724      3.191795
  C      -9.092127      5.392985      2.577038
  C      -8.845294      4.617792      1.450460
  C      -7.549358      4.541700      0.900190
  C      -6.497784      5.217034      1.494145
  C      -6.713417      6.009656      2.653415
  C      -6.134769      3.220610      7.617345
  C      -6.843979      4.513255      7.204606
  C      -8.377556      4.482194      7.264542
  C      -9.059485      3.716572      6.156790
  N      -8.331774      2.883921      5.422165
  C      -8.949438      2.234379      4.404744
  N     -10.232757      2.314648      4.062070
  C     -11.015183      3.152651      4.814742
  C     -12.399598      3.273522      4.506601
  C     -13.204388      4.108373      5.237271
  C     -12.666174      4.863215      6.299379
  C     -11.321777      4.765736      6.621920
  C     -10.466220      3.902933      5.892516
  H      -3.622219      1.314728      2.633918
  H      -5.039104      1.593619      3.661871
  H      -4.119700     -0.545516      4.992951
  H      -3.303580     -0.892418      3.462842
  H      -5.407146     -2.047332      3.383713
  H      -6.287861     -0.668827      4.060517
  H      -8.048632      1.607910      0.769677
  H      -5.285782     -0.059500     -2.514921
  H      -3.419250     -1.743499     -2.555116
  H      -2.651587     -2.873988     -0.448845
  H      -3.777252     -2.324462      1.697299
  H      -4.277237      6.585215      5.732634
  H      -2.654507      7.190745      6.025621
  H      -2.220926      7.038228      3.515741
  H      -3.418310      8.224845      4.042654
  H      -4.070619      6.968598      1.962529
  H      -4.040246      5.449757      2.869175
  H      -7.446447      8.247597      5.652576
  H     -10.082751      5.472357      3.012715
  H      -9.655659      4.061630      0.983038
  H      -7.372955      3.943055      0.006171
  H      -5.500835      5.141506      1.072996
  H      -6.267139      3.064286      8.707349
  H      -6.621852      2.372501      7.103990
  H      -6.483153      5.337208      7.839570
  H      -6.546805      4.739198      6.171051
  H      -8.742252      4.091119      8.233603
  H      -8.739891      5.520508      7.215979
  H      -8.302131      1.584271      3.800975
  H     -12.792225      2.678837      3.683637
  H     -14.265800      4.191899      4.995425
  H     -13.313731      5.522716      6.866039
  H     -10.917361      5.349676      7.443200
  N      -5.227209      3.943823      4.587476
96
Coordinates from ORCA-job orca E -6203.162272494244
  N      -3.252830      1.879116      4.640176
  Mo     -3.894997      3.547815      5.519377
  N      -4.699133      3.250025      7.308703
  C      -3.821589      2.941694      8.438346
  C      -2.567167      2.184661      7.996100
  N      -1.919287      2.834255      6.849065
  C      -1.129908      1.920419      6.013410
  C      -1.940606      1.274908      4.863658
  C      -1.235861      4.103763      7.147019
  C      -1.337381      5.028903      5.931803
  N      -2.733178      5.175408      5.503306
  H      -1.341339      1.341242      3.935243
  H      -2.053447      0.195931      5.067540
  H      -0.284678      2.482948      5.604831
  H      -0.698766      1.121163      6.636405
  H      -0.910579      6.012279      6.195046
  H      -0.709591      4.628622      5.112667
  H      -1.752179      4.578867      7.993146
  H      -0.178888      3.943706      7.443015
  H      -4.345970      2.306506      9.173812
  H      -3.538208      3.868881      8.979564
  H      -2.869597      1.180173      7.661869
  H      -1.870731      2.064875      8.851232
  C      -4.053028      1.160309      3.636376
  C      -4.178587     -0.352970      3.897221
  C      -5.504445     -0.939572      3.370932
  C      -5.887576     -0.452253      2.004109
  N      -6.885589      0.410313      1.949322
  C      -7.210449      0.912833      0.730256
  N      -6.633962      0.669629     -0.431703
  C      -5.611789     -0.231565     -0.406318
  C      -4.954864     -0.560661     -1.617490
  C      -3.924150     -1.486494     -1.617527
  C      -3.527673     -2.120194     -0.414724
  C      -4.151866     -1.809386      0.781795
  C      -5.196096     -0.855138      0.814064
  C      -3.214922      6.547104      5.357697
  C      -3.193574      7.150303      3.947001
  C      -4.211023      6.557946      2.974082
  C      -5.655992      6.728114      3.356557
  N      -5.957424      7.531245      4.372233
  C      -7.256936      7.587726      4.773366
  N      -8.280944      6.916056      4.284238
  C      -8.009406      6.126091      3.195009
  C      -9.065478      5.397457      2.594676
  C      -8.824122      4.628222      1.484420
  C      -7.527474      4.559366      0.929735
  C      -6.475930      5.237487      1.510899
  C      -6.689442      6.025218      2.658340
  C      -6.140737      3.257229      7.610846
  C      -6.850529      4.546033      7.194436
  C      -8.378431      4.496165      7.260697
  C      -9.053840      3.706470      6.161909
  N      -8.321811      2.867712      5.438821
  C      -8.929307      2.182362      4.430333
  N     -10.201604      2.227188      4.087111
  C     -10.987840      3.074431      4.824893
  C     -12.363939      3.176242      4.511308
  C     -13.175093      4.028223      5.223623
  C     -12.648586      4.811138      6.275064
  C     -11.311833      4.730648      6.603904
  C     -10.452620      3.862687      5.892016
  H      -3.633019      1.319022      2.623216
  H      -5.051068      1.608372      3.643567
  H      -4.151465     -0.532912      4.983489
  H      -3.326661     -0.892504      3.463744
  H      -5.439603     -2.036635      3.375281
  H      -6.317955     -0.649968      4.049708
  H      -8.055264      1.606776      0.730236
  H      -5.292230     -0.067395     -2.534544
  H      -3.426353     -1.740609     -2.553278
  H      -2.751292     -2.856364     -0.437392
  H      -3.854341     -2.302222      1.703625
  H      -4.243152      6.607349      5.731591
  H      -2.607497      7.192901      6.014069
  H      -2.188391      7.038098      3.513394
  H      -3.380544      8.228647      4.050955
  H      -4.064085      6.997900      1.975289
  H      -4.030255      5.481440      2.854968
  H      -7.460211      8.263936      5.618503
  H     -10.061790      5.474101      3.037610
  H      -9.639846      4.066449      1.026687
  H      -7.359027      3.961753      0.040741
  H      -5.477437      5.166294      1.084470
  H      -6.275688      3.099779      8.694843
  H      -6.628793      2.416169      7.094380
  H      -6.489411      5.373205      7.824519
  H      -6.560967      4.771355      6.161502
  H      -8.723868      4.109329      8.233987
  H      -8.758775      5.525571      7.204820
  H      -8.278371      1.530031      3.838164
  H     -12.748915      2.562856      3.696469
  H     -14.234396      4.106085      4.976378
  H     -13.304726      5.487864      6.825953
  H     -10.916008      5.341306      7.415401
  N      -5.235073      3.947367      4.596237
96
Coordinates from ORCA-job orca E -6203.159676074354
  N      -3.224420      1.875419      4.656545
  Mo     -3.878685      3.536829      5.525751
  N      -4.686128      3.226517      7.312316
  C      -3.809154      2.924523      8.438150
  C      -2.549834      2.178726      8.003927
  N      -1.903935      2.838567      6.861219
  C      -1.102316      1.940208      6.021433
  C      -1.909395      1.280899      4.882835
  C      -1.237326      4.111966      7.164025
  C      -1.347162      5.036222      5.952317
  N      -2.741909      5.164149      5.528311
  H      -1.312698      1.342607      3.950907
  H      -2.015675      0.206650      5.096440
  H      -0.271137      2.520577      5.600807
  H      -0.648454      1.149606      6.642399
  H      -0.938158      6.024719      6.217301
  H      -0.714250      4.644921      5.133719
  H      -1.762088      4.581102      8.008569
  H      -0.181402      3.960761      7.462336
  H      -4.330172      2.287598      9.175874
  H      -3.527704      3.850565      8.977836
  H      -2.843076      1.175813      7.667604
  H      -1.856749      2.061824      8.860801
  C      -4.013713      1.162783      3.647467
  C      -4.141295     -0.349695      3.895098
  C      -5.470632     -0.953090      3.365428
  C      -5.875273     -0.460120      1.998614
  N      -6.885937      0.418558      1.939930
  C      -7.224125      0.928407      0.721176
  N      -6.640072      0.677141     -0.433033
  C      -5.626451     -0.238543     -0.404849
  C      -4.957498     -0.577382     -1.608615
  C      -3.971910     -1.506014     -1.605067
  C      -3.576024     -2.141470     -0.407472
  C      -4.185709     -1.825844      0.782656
  C      -5.216843     -0.866458      0.813185
  C      -3.223556      6.541079      5.373999
  C      -3.202950      7.128638      3.948750
  C      -4.240856      6.530950      2.981079
  C      -5.692558      6.713164      3.368639
  N      -5.991000      7.484550      4.394267
  C      -7.293303      7.554726      4.779356
  N      -8.318798      6.918755      4.276378
  C      -8.046609      6.152352      3.186201
  C      -9.101607      5.447625      2.575765
  C      -8.860040      4.678384      1.454145
  C      -7.555624      4.585110      0.900169
  C      -6.503735      5.243345      1.496567
  C      -6.723990      6.034514      2.656192
  C      -6.127344      3.236103      7.619377
  C      -6.838585      4.531691      7.183118
  C      -8.368291      4.489076      7.242430
  C      -9.047675      3.705728      6.140532
  N      -8.326087      2.877292      5.406982
  C      -8.945359      2.210554      4.394384
  N     -10.213240      2.262620      4.052418
  C     -10.988811      3.094768      4.803178
  C     -12.367508      3.206112      4.497243
  C     -13.176621      4.060862      5.229755
  C     -12.636306      4.829741      6.291047
  C     -11.296768      4.733464      6.611009
  C     -10.444254      3.867576      5.879370
  H      -3.588003      1.325084      2.636390
  H      -5.015119      1.613693      3.653431
  H      -4.111779     -0.535968      4.979798
  H      -3.280067     -0.884099      3.454105
  H      -5.390949     -2.061281      3.368917
  H      -6.294549     -0.673274      4.046712
  H      -8.049579      1.631357      0.717695
  H      -5.259801     -0.086316     -2.521268
  H      -3.446316     -1.768928     -2.538175
  H      -2.741690     -2.892376     -0.428799
  H      -3.854596     -2.325258      1.704590
  H      -4.254786      6.607337      5.755439
  H      -2.610710      7.202209      6.024120
  H      -2.194190      7.008047      3.506802
  H      -3.383796      8.211966      4.050893
  H      -4.093691      6.962089      1.972129
  H      -4.068667      5.446255      2.862615
  H      -7.492293      8.189943      5.630588
  H     -10.096226      5.525567      3.017284
  H      -9.679311      4.124147      0.987870
  H      -7.379599      3.969732      0.002227
  H      -5.495100      5.147345      1.074558
  H      -6.260187      3.089624      8.711537
  H      -6.613666      2.386601      7.110551
  H      -6.484215      5.376138      7.811482
  H      -6.538610      4.745523      6.138001
  H      -8.728681      4.101596      8.221564
  H      -8.740831      5.529717      7.182333
  H      -8.298523      1.560382      3.793471
  H     -12.761127      2.605226      3.674514
  H     -14.240020      4.148479      4.990447
  H     -13.288398      5.504373      6.856282
  H     -10.888307      5.332836      7.428391
  N      -5.219138      3.949630      4.608663
96
Coordinates from ORCA-job orca E -6203.163334907414
  N      -3.235879      1.880065      4.646747
  Mo     -3.886448      3.542456      5.522439
  N      -4.691321      3.227506      7.308131
  C      -3.812035      2.915598      8.430789
  C      -2.554227      2.170232      7.986899
  N      -1.910767      2.837294      6.848501
  C      -1.110755      1.941540      6.003781
  C      -1.923503      1.280513      4.869414
  C      -1.241139      4.107695      7.160449
  C      -1.347155      5.038864      5.952404
  N      -2.741818      5.170603      5.524785
  H      -1.330386      1.335906      3.936175
  H      -2.034590      0.204524      5.086951
  H      -0.286080      2.524850      5.580584
  H      -0.650991      1.152171      6.620913
  H      -0.934297      6.025413      6.222519
  H      -0.712514      4.650298      5.133574
  H      -1.765809      4.572566      8.006936
  H      -0.184743      3.953448      7.459771
  H      -4.331034      2.270921      9.162992
  H      -3.529492      3.838453      8.980311
  H      -2.849734      1.167305      7.644201
  H      -1.858095      2.047733      8.842413
  C      -4.028778      1.167576      3.642408
  C      -4.161464     -0.340629      3.899376
  C      -5.488555     -0.930504      3.373073
  C      -5.881084     -0.446748      2.006075
  N      -6.883949      0.426245      1.946777
  C      -7.209511      0.928388      0.729517
  N      -6.629984      0.676421     -0.425714
  C      -5.606468     -0.234763     -0.397203
  C      -4.949331     -0.572597     -1.602743
  C      -3.932951     -1.505737     -1.599399
  C      -3.532352     -2.135991     -0.399114
  C      -4.147604     -1.817874      0.790484
  C      -5.193666     -0.857638      0.820923
  C      -3.228706      6.545285      5.360093
  C      -3.207207      7.135561      3.937943
  C      -4.229203      6.530544      2.970864
  C      -5.676946      6.706444      3.358811
  N      -5.971198      7.490054      4.386084
  C      -7.269333      7.550200      4.781222
  N      -8.299952      6.900576      4.283209
  C      -8.034096      6.126769      3.186218
  C      -9.092845      5.415851      2.575884
  C      -8.852575      4.650009      1.451874
  C      -7.552075      4.566262      0.897614
  C      -6.498074      5.229078      1.491585
  C      -6.713727      6.016783      2.651019
  C      -6.132111      3.234403      7.614827
  C      -6.843034      4.522532      7.206547
  C      -8.372435      4.477746      7.263605
  C      -9.050757      3.709929      6.156186
  N      -8.323732      2.881132      5.425232
  C      -8.937096      2.218075      4.408564
  N     -10.207616      2.275296      4.061664
  C     -10.989475      3.110010      4.809567
  C     -12.367901      3.220696      4.497708
  C     -13.180411      4.070350      5.226454
  C     -12.646809      4.837049      6.290080
  C     -11.307425      4.743499      6.615870
  C     -10.449584      3.878592      5.888390
  H      -3.605350      1.325523      2.630193
  H      -5.026803      1.621698      3.647738
  H      -4.131156     -0.522520      4.985293
  H      -3.310700     -0.880657      3.460978
  H      -5.420851     -2.028564      3.379459
  H      -6.300049     -0.641331      4.049569
  H      -8.051731      1.630651      0.726240
  H      -5.281741     -0.081181     -2.518657
  H      -3.437241     -1.766974     -2.530708
  H      -2.732128     -2.879214     -0.418344
  H      -3.838090     -2.310067      1.711786
  H      -4.258030      6.605912      5.733927
  H      -2.625108      7.206284      6.011767
  H      -2.201854      7.021584      3.501422
  H      -3.393715      8.215568      4.034342
  H      -4.082251      6.960963      1.962770
  H      -4.050841      5.449232      2.860414
  H      -7.466955      8.207802      5.633517
  H     -10.086164      5.493344      3.017149
  H      -9.670132      4.097774      0.986217
  H      -7.379097      3.963242      0.000515
  H      -5.495008      5.143757      1.068951
  H      -6.262407      3.073579      8.697253
  H      -6.620932      2.395609      7.099490
  H      -6.485909      5.343704      7.843841
  H      -6.547834      4.754251      6.178373
  H      -8.729406      4.079879      8.229402
  H      -8.745138      5.510522      7.218628
  H      -8.287006      1.569027      3.809218
  H     -12.756005      2.618001      3.673580
  H     -14.241278      4.152783      4.982660
  H     -13.299732      5.503240      6.853578
  H     -10.904881      5.337969      7.436153
  N      -5.222946      3.949002      4.603480
96
Coordinates from ORCA-job orca E -6203.160023837946
  N      -3.250107      1.892996      4.628331
  Mo     -3.898974      3.552432      5.525814
  N      -4.695547      3.235235      7.319453
  C      -3.814014      2.916740      8.444031
  C      -2.558089      2.173466      7.988759
  N      -1.921996      2.838462      6.846635
  C      -1.130233      1.941502      5.999055
  C      -1.946484      1.280009      4.862884
  C      -1.247640      4.109076      7.155698
  C      -1.354129      5.043062      5.951168
  N      -2.746681      5.183262      5.515199
  H      -1.345478      1.318697      3.933806
  H      -2.073054      0.207439      5.089632
  H      -0.303859      2.520321      5.578412
  H      -0.676682      1.151177      6.614367
  H      -0.938499      6.025590      6.229044
  H      -0.721411      4.659290      5.130041
  H      -1.767671      4.571971      8.004856
  H      -0.192074      3.953122      7.453017
  H      -4.334249      2.270203      9.168879
  H      -3.539612      3.836811      8.998535
  H      -2.854686      1.170896      7.642654
  H      -1.855581      2.049335      8.839244
  C      -4.048466      1.177553      3.619024
  C      -4.175759     -0.346273      3.886182
  C      -5.510490     -0.939869      3.371476
  C      -5.904550     -0.454395      2.001177
  N      -6.899478      0.409102      1.940568
  C      -7.239001      0.908355      0.716559
  N      -6.670474      0.662346     -0.444096
  C      -5.645107     -0.239171     -0.412235
  C      -4.973955     -0.569106     -1.623725
  C      -3.933839     -1.500946     -1.620024
  C      -3.560416     -2.133564     -0.413059
  C      -4.200679     -1.820014      0.783650
  C      -5.230863     -0.861372      0.811930
  C      -3.228516      6.549328      5.372650
  C      -3.192483      7.151635      3.964130
  C      -4.200471      6.563879      2.987710
  C      -5.648429      6.753336      3.356860
  N      -5.953415      7.579558      4.364452
  C      -7.251458      7.641928      4.758985
  N      -8.271552      6.958637      4.270133
  C      -7.997031      6.145140      3.185486
  C      -9.045636      5.395001      2.584772
  C      -8.795462      4.601234      1.482667
  C      -7.504653      4.536839      0.939091
  C      -6.461773      5.235640      1.520763
  C      -6.679710      6.040247      2.658692
  C      -6.134291      3.254419      7.641908
  C      -6.844527      4.552568      7.177572
  C      -8.374735      4.506697      7.254318
  C      -9.043752      3.689022      6.157624
  N      -8.307607      2.856230      5.429525
  C      -8.911729      2.177931      4.417167
  N     -10.187774      2.226320      4.076874
  C     -10.978517      3.064872      4.821155
  C     -12.357203      3.170369      4.508244
  C     -13.170239      4.007339      5.226054
  C     -12.646638      4.778463      6.281085
  C     -11.308435      4.701931      6.607923
  C     -10.444948      3.842049      5.891462
  H      -3.617791      1.335835      2.608755
  H      -5.046947      1.629487      3.616880
  H      -4.146138     -0.527614      4.973819
  H      -3.317544     -0.887880      3.453103
  H      -5.439313     -2.045419      3.384600
  H      -6.329772     -0.651073      4.054407
  H      -8.082037      1.604332      0.711775
  H      -5.293814     -0.075291     -2.543208
  H      -3.408205     -1.755609     -2.555652
  H      -2.767243     -2.872052     -0.430289
  H      -3.907331     -2.312437      1.708692
  H      -4.256788      6.613101      5.736797
  H      -2.625643      7.186888      6.030700
  H      -2.183658      7.025999      3.540241
  H      -3.373332      8.237280      4.061283
  H      -4.037557      6.998099      1.989183
  H      -4.026817      5.479139      2.878044
  H      -7.459283      8.332259      5.597534
  H     -10.039575      5.473863      3.019004
  H      -9.602417      4.023100      1.025845
  H      -7.330695      3.931091      0.059315
  H      -5.468741      5.165718      1.103957
  H      -6.261213      3.135328      8.748462
  H      -6.628152      2.383955      7.153216
  H      -6.484131      5.420437      7.787917
  H      -6.553810      4.743739      6.113956
  H      -8.724150      4.136166      8.250643
  H      -8.755425      5.550469      7.176083
  H      -8.260301      1.541561      3.818064
  H     -12.740681      2.571476      3.689602
  H     -14.230873      4.087108      4.978658
  H     -13.306805      5.452090      6.834954
  H     -10.915385      5.306844      7.421705
  N      -5.228922      3.962876      4.601164
96
Coordinates from ORCA-job orca E -6203.163632669111
  N      -3.246242      1.892687      4.632744
  Mo     -3.890981      3.553121      5.523769
  N      -4.693226      3.239000      7.310712
  C      -3.816348      2.912489      8.437171
  C      -2.556791      2.171094      7.986452
  N      -1.914266      2.837538      6.846257
  C      -1.121456      1.936461      6.001073
  C      -1.944196      1.272090      4.872238
  C      -1.238971      4.107898      7.155854
  C      -1.340226      5.042352      5.949185
  N      -2.733478      5.182671      5.512283
  H      -1.343394      1.301968      3.942605
  H      -2.075601      0.201483      5.106705
  H      -0.293776      2.515544      5.575178
  H      -0.663709      1.145032      6.618461
  H      -0.924018      6.026025      6.225711
  H      -0.703771      4.656513      5.130484
  H      -1.761819      4.572851      8.003117
  H      -0.183222      3.950797      7.455425
  H      -4.340391      2.260259      9.157410
  H      -3.542528      3.830167      8.997425
  H      -2.852035      1.168745      7.640662
  H      -1.858660      2.046523      8.839729
  C      -4.043676      1.176241      3.625129
  C      -4.181158     -0.335267      3.892793
  C      -5.509585     -0.919708      3.368933
  C      -5.894235     -0.441947      1.998648
  N      -6.902492      0.421243      1.934365
  C      -7.231690      0.912504      0.711074
  N      -6.645471      0.660171     -0.445278
  C      -5.617102     -0.240422     -0.410103
  C      -4.952871     -0.577868     -1.615795
  C      -3.933686     -1.503537     -1.606573
  C      -3.533710     -2.128295     -0.399286
  C      -4.156800     -1.809491      0.791874
  C      -5.205871     -0.854186      0.814341
  C      -3.213757      6.553525      5.361588
  C      -3.191264      7.146056      3.944990
  C      -4.216468      6.550371      2.975601
  C      -5.663902      6.727769      3.358909
  N      -5.964093      7.533110      4.374109
  C      -7.262902      7.591936      4.770722
  N      -8.288536      6.925277      4.278502
  C      -8.019498      6.134783      3.189334
  C      -9.077208      5.409874      2.585158
  C      -8.834129      4.631865      1.474788
  C      -7.534756      4.550838      0.926642
  C      -6.482951      5.227674      1.512299
  C      -6.698654      6.025016      2.658532
  C      -6.133518      3.249863      7.621388
  C      -6.846140      4.536060      7.198811
  C      -8.374084      4.483831      7.263852
  C      -9.048401      3.699687      6.161453
  N      -8.315889      2.864880      5.435365
  C      -8.923639      2.189106      4.421846
  N     -10.196683      2.240958      4.077115
  C     -10.984150      3.084099      4.819045
  C     -12.362027      3.191093      4.505230
  C     -13.174239      4.037986      5.224249
  C     -12.646430      4.812392      6.280871
  C     -11.307861      4.726429      6.609031
  C     -10.447868      3.861087      5.891602
  H      -3.610817      1.325972      2.616680
  H      -5.038365      1.633020      3.619981
  H      -4.156867     -0.508695      4.980042
  H      -3.330775     -0.882326      3.465387
  H      -5.447690     -2.017051      3.381443
  H      -6.321852     -0.623652      4.044184
  H      -8.076430      1.605884      0.702912
  H      -5.276774     -0.092530     -2.535610
  H      -3.422108     -1.763732     -2.538665
  H      -2.722745     -2.867330     -0.413142
  H      -3.843174     -2.296878      1.718386
  H      -4.243207      6.617935      5.737176
  H      -2.602714      7.203688      6.012933
  H      -2.184100      7.024957      3.507954
  H      -3.372396      8.228682      4.044538
  H      -4.068076      6.985119      1.973529
  H      -4.040431      5.470657      2.859067
  H      -7.464343      8.259748      5.615972
  H     -10.073709      5.492595      3.023168
  H      -9.650205      4.071451      1.014491
  H      -7.362200      3.944588      0.039679
  H      -5.481695      5.144117      1.092793
  H      -6.261440      3.102055      8.708145
  H      -6.624708      2.403859      7.114648
  H      -6.487911      5.366912      7.826832
  H      -6.557696      4.758678      6.164547
  H      -8.719912      4.092293      8.235167
  H      -8.755627      5.513011      7.211188
  H      -8.269739      1.535173      3.825645
  H     -12.747977      2.585449      3.685805
  H     -14.234649      4.119617      4.977148
  H     -13.303581      5.488361      6.835430
  H     -10.910263      5.330881      7.424078
  N      -5.230625      3.954398      4.600112
96
Coordinates from ORCA-job orca E -6203.162264722546
  N      -3.221825      1.880918      4.649716
  Mo     -3.881253      3.537561      5.526271
  N      -4.685308      3.202792      7.312053
  C      -3.802871      2.883794      8.423932
  C      -2.540825      2.155394      7.972483
  N      -1.905984      2.841126      6.842253
  C      -1.096424      1.967526      5.986058
  C      -1.913319      1.281314      4.879059
  C      -1.250614      4.110623      7.173434
  C      -1.362811      5.053209      5.977513
  N      -2.754557      5.167370      5.549594
  H      -1.325934      1.307088      3.940988
  H      -2.028925      0.213797      5.125141
  H      -0.301448      2.572820      5.541448
  H      -0.600253      1.195638      6.594688
  H      -0.967583      6.041873      6.260880
  H      -0.719841      4.683600      5.156718
  H      -1.783892      4.560499      8.023320
  H      -0.194889      3.961754      7.475374
  H      -4.313943      2.224933      9.150078
  H      -3.522043      3.799495      8.986784
  H      -2.825077      1.154070      7.621226
  H      -1.843667      2.032869      8.826119
  C      -4.009217      1.173181      3.646355
  C      -4.154723     -0.329424      3.905836
  C      -5.486155     -0.923874      3.380529
  C      -5.882945     -0.440159      2.012660
  N      -6.874739      0.438920      1.951617
  C      -7.198148      0.943808      0.734197
  N      -6.627295      0.687785     -0.418919
  C      -5.612450     -0.231038     -0.388877
  C      -4.952899     -0.574348     -1.592269
  C      -3.932891     -1.513837     -1.587125
  C      -3.544155     -2.145364     -0.388295
  C      -4.162340     -1.822599      0.799125
  C      -5.199957     -0.856473      0.829528
  C      -3.251880      6.543927      5.368984
  C      -3.228270      7.123945      3.936380
  C      -4.237890      6.505025      2.970943
  C      -5.684718      6.681380      3.353624
  N      -5.979893      7.460490      4.379480
  C      -7.280726      7.531974      4.768352
  N      -8.314311      6.898049      4.265810
  C      -8.044716      6.126827      3.171550
  C      -9.104288      5.434665      2.554888
  C      -8.863362      4.673522      1.427499
  C      -7.556241      4.569424      0.875772
  C      -6.499273      5.211232      1.478705
  C      -6.719224      6.000651      2.641031
  C      -6.123899      3.216595      7.628069
  C      -6.832108      4.510924      7.209203
  C      -8.364008      4.474113      7.263923
  C      -9.042455      3.712891      6.150729
  N      -8.317164      2.895932      5.410499
  C      -8.933355      2.249304      4.386377
  N     -10.203029      2.309840      4.039018
  C     -10.981953      3.127394      4.797749
  C     -12.360484      3.237315      4.488260
  C     -13.174517      4.081141      5.229628
  C     -12.638488      4.838065      6.302979
  C     -11.298635      4.742184      6.625947
  C     -10.441255      3.885243      5.885741
  H      -3.577996      1.325698      2.634908
  H      -5.006162      1.635961      3.644132
  H      -4.124880     -0.510037      4.991961
  H      -3.302298     -0.873744      3.466248
  H      -5.413448     -2.029608      3.387663
  H      -6.303916     -0.635825      4.058785
  H      -8.034407      1.652297      0.729474
  H      -5.287394     -0.080683     -2.508299
  H      -3.443766     -1.779310     -2.516199
  H      -2.775866     -2.891048     -0.407762
  H      -3.869398     -2.315945      1.719175
  H      -4.282192      6.603340      5.739130
  H      -2.654184      7.219481      6.018096
  H      -2.225904      7.015368      3.506514
  H      -3.422008      8.201723      4.019494
  H      -4.088108      6.927689      1.954491
  H      -4.056203      5.421248      2.873198
  H      -7.477893      8.187658      5.619659
  H     -10.098981      5.521129      2.991898
  H      -9.683736      4.134736      0.956197
  H      -7.381319      3.962241     -0.026959
  H      -5.489242      5.108499      1.060205
  H      -6.250008      3.066770      8.717479
  H      -6.615510      2.370712      7.122821
  H      -6.477182      5.338715      7.846317
  H      -6.528706      4.736950      6.174897
  H      -8.732452      4.072528      8.232134
  H      -8.730399      5.515153      7.221801
  H      -8.286892      1.619877      3.777797
  H     -12.748562      2.640302      3.656193
  H     -14.235592      4.161929      4.989036
  H     -13.288613      5.488760      6.876602
  H     -10.893429      5.325267      7.453386
  N      -5.207318      3.958698      4.602346
96
Coordinates from ORCA-job orca E -6203.164209507971
  N      -3.233021      1.889018      4.639672
  Mo     -3.886090      3.545554      5.524391
  N      -4.689324      3.217313      7.308623
  C      -3.810200      2.885983      8.424017
  C      -2.547120      2.154818      7.967442
  N      -1.908759      2.841294      6.837816
  C      -1.104316      1.963169      5.979449
  C      -1.929800      1.276213      4.875604
  C      -1.246439      4.110569      7.168498
  C      -1.356016      5.058132      5.973488
  N      -2.749278      5.180957      5.540408
  H      -1.339451      1.289148      3.940214
  H      -2.056192      0.210768      5.129982
  H      -0.309174      2.565916      5.532103
  H      -0.607300      1.189602      6.585439
  H      -0.954171      6.044649      6.261118
  H      -0.712451      4.689594      5.152144
  H      -1.775541      4.559725      8.020200
  H      -0.189506      3.959372      7.467464
  H      -4.327151      2.222463      9.141065
  H      -3.533744      3.798696      8.993807
  H      -2.833856      1.153171      7.613353
  H      -1.849643      2.027771      8.821319
  C      -4.028365      1.179754      3.633328
  C      -4.179702     -0.324875      3.901001
  C      -5.510087     -0.908056      3.375241
  C      -5.893234     -0.432675      2.003760
  N      -6.891508      0.443011      1.935482
  C      -7.213324      0.939707      0.713509
  N      -6.631421      0.678758     -0.438829
  C      -5.614899     -0.236560     -0.401158
  C      -4.957058     -0.584593     -1.602655
  C      -3.948151     -1.521511     -1.589998
  C      -3.558667     -2.147568     -0.384289
  C      -4.177526     -1.819488      0.801980
  C      -5.208811     -0.854184      0.823095
  C      -3.240402      6.552723      5.368432
  C      -3.211574      7.141799      3.948252
  C      -4.225358      6.536639      2.976561
  C      -5.674735      6.712883      3.354148
  N      -5.978520      7.505938      4.373118
  C      -7.278372      7.562935      4.761716
  N      -8.300794      6.899752      4.262835
  C      -8.024158      6.115230      3.172705
  C      -9.072175      5.387003      2.560545
  C      -8.823225      4.617347      1.442354
  C      -7.525639      4.549272      0.895673
  C      -6.480603      5.224546      1.492627
  C      -6.703571      6.013091      2.645666
  C      -6.128687      3.232378      7.622638
  C      -6.837295      4.523854      7.213336
  C      -8.367497      4.477623      7.275157
  C      -9.043857      3.712361      6.161245
  N      -8.312372      2.892968      5.422189
  C      -8.920846      2.235171      4.398003
  N     -10.190514      2.288627      4.051050
  C     -10.976316      3.112843      4.806712
  C     -12.353814      3.221738      4.493239
  C     -13.170298      4.057357      5.229055
  C     -12.642153      4.813618      6.301487
  C     -11.303843      4.725227      6.628261
  C     -10.441975      3.874190      5.893866
  H      -3.594458      1.325433      2.623629
  H      -5.018585      1.647485      3.627198
  H      -4.154652     -0.497131      4.988191
  H      -3.332500     -0.877200      3.470153
  H      -5.450662     -2.006446      3.389032
  H      -6.322235     -0.608166      4.048484
  H      -8.050088      1.645284      0.703465
  H      -5.282369     -0.096824     -2.522894
  H      -3.446748     -1.790451     -2.518572
  H      -2.764197     -2.894970     -0.397122
  H      -3.876486     -2.308198      1.727653
  H      -4.271089      6.612875      5.735191
  H      -2.643021      7.215287      6.020935
  H      -2.203979      7.027185      3.519323
  H      -3.400131      8.221972      4.041183
  H      -4.073183      6.966277      1.971037
  H      -4.044513      5.455546      2.869252
  H      -7.483843      8.229270      5.608858
  H     -10.064432      5.455791      2.996062
  H      -9.632799      4.052162      0.975381
  H      -7.348340      3.948911      0.001590
  H      -5.479904      5.149414      1.077110
  H      -6.253972      3.077260      8.707837
  H      -6.623276      2.392240      7.113603
  H      -6.477386      5.347650      7.850836
  H      -6.542967      4.754936      6.181442
  H      -8.722637      4.072466      8.241319
  H      -8.741609      5.512146      7.238423
  H      -8.269030      1.597890      3.791982
  H     -12.736859      2.629751      3.661387
  H     -14.231019      4.139476      4.983975
  H     -13.299197      5.473402      6.870209
  H     -10.906542      5.314895      7.454646
  N      -5.218700      3.956873      4.603702
96
Coordinates from ORCA-job orca E -6203.163198946579
  N      -3.243146      1.902724      4.625166
  Mo     -3.892923      3.555678      5.531886
  N      -4.686151      3.223551      7.322229
  C      -3.806029      2.879873      8.447151
  C      -2.541512      2.154945      7.983867
  N      -1.910292      2.839360      6.847635
  C      -1.117062      1.954048      5.989422
  C      -1.953491      1.263943      4.884451
  C      -1.244765      4.112857      7.166838
  C      -1.346819      5.055221      5.967713
  N      -2.737800      5.188779      5.517509
  H      -1.352055      1.249229      3.953955
  H      -2.105970      0.203539      5.155489
  H      -0.315161      2.552175      5.542378
  H      -0.626935      1.175406      6.598007
  H      -0.943628      6.038865      6.258479
  H      -0.699558      4.684440      5.150663
  H      -1.775066      4.567552      8.015507
  H      -0.190358      3.960796      7.470513
  H      -4.328488      2.212512      9.152745
  H      -3.543669      3.788349      9.024762
  H      -2.830421      1.154967      7.625511
  H      -1.838199      2.025642      8.831943
  C      -4.037240      1.180884      3.613191
  C      -4.181624     -0.336892      3.892230
  C      -5.514885     -0.921332      3.371808
  C      -5.900456     -0.447668      1.996657
  N      -6.905672      0.413502      1.925517
  C      -7.232675      0.896287      0.697767
  N      -6.644418      0.640693     -0.457015
  C      -5.613603     -0.256870     -0.414223
  C      -4.936093     -0.596809     -1.619052
  C      -3.903284     -1.524680     -1.604245
  C      -3.510491     -2.146422     -0.391687
  C      -4.144397     -1.824057      0.799171
  C      -5.205126     -0.865632      0.814812
  C      -3.218116      6.556889      5.360937
  C      -3.194152      7.134741      3.935010
  C      -4.226205      6.535112      2.969087
  C      -5.674961      6.719383      3.352620
  N      -5.967189      7.520852      4.372379
  C      -7.269600      7.597976      4.766463
  N      -8.308911      6.961607      4.263306
  C      -8.050321      6.177529      3.170030
  C      -9.129184      5.491017      2.557643
  C      -8.893375      4.709130      1.446246
  C      -7.581534      4.584106      0.907032
  C      -6.512825      5.230380      1.499621
  C      -6.721871      6.036039      2.646111
  C      -6.122884      3.236598      7.650280
  C      -6.836214      4.522657      7.215522
  C      -8.363699      4.472803      7.279479
  C      -9.031934      3.693209      6.172920
  N      -8.293222      2.860025      5.447681
  C      -8.895357      2.189343      4.428508
  N     -10.169918      2.245120      4.079363
  C     -10.964283      3.088112      4.820773
  C     -12.342925      3.196658      4.501839
  C     -13.158894      4.039871      5.218314
  C     -12.637173      4.813103      6.277104
  C     -11.297864      4.726533      6.610456
  C     -10.432427      3.859537      5.896922
  H      -3.588270      1.320410      2.610306
  H      -5.034398      1.644269      3.592467
  H      -4.162226     -0.504385      4.981550
  H      -3.327149     -0.890696      3.473003
  H      -5.455890     -2.022418      3.393536
  H      -6.328483     -0.618925      4.045207
  H      -8.077743      1.589176      0.683726
  H      -5.256209     -0.113685     -2.541744
  H      -3.383667     -1.786114     -2.535868
  H      -2.700629     -2.886234     -0.399627
  H      -3.835571     -2.309657      1.729167
  H      -4.248034      6.621621      5.736309
  H      -2.606460      7.210451      6.006911
  H      -2.184397      7.003665      3.494910
  H      -3.369362      8.221796      4.027188
  H      -4.076086      6.963848      1.962832
  H      -4.055216      5.453919      2.856011
  H      -7.465393      8.257972      5.614371
  H     -10.136937      5.610178      2.991825
  H      -9.725691      4.180104      0.979690
  H      -7.412041      3.975811      0.021581
  H      -5.503091      5.113205      1.085515
  H      -6.239255      3.104570      8.744121
  H      -6.622153      2.381079      7.159421
  H      -6.479686      5.360595      7.837559
  H      -6.547804      4.737858      6.176247
  H      -8.710112      4.079539      8.249361
  H      -8.747692      5.501294      7.227269
  H      -8.234849      1.533845      3.831137
  H     -12.724965      2.592463      3.679790
  H     -14.219058      4.120144      4.966941
  H     -13.298822      5.489239      6.829084
  H     -10.903891      5.329538      7.427691
  N      -5.235571      3.956959      4.601566
96
Coordinates from ORCA-job orca E -6203.164995279153
  N      -3.241145      1.910134      4.624026
  Mo     -3.889515      3.559878      5.533066
  N      -4.687042      3.222387      7.317547
  C      -3.809149      2.870284      8.433276
  C      -2.544404      2.147493      7.966679
  N      -1.910663      2.842848      6.840318
  C      -1.111501      1.967453      5.975751
  C      -1.952809      1.270753      4.883826
  C      -1.247897      4.111710      7.177137
  C      -1.349965      5.066300      5.986444
  N      -2.740389      5.194305      5.537623
  H      -1.355533      1.246561      3.950686
  H      -2.107996      0.212714      5.164744
  H      -0.321961      2.577521      5.518565
  H      -0.602050      1.193470      6.578959
  H      -0.950983      6.050413      6.285826
  H      -0.698212      4.705774      5.167999
  H      -1.781868      4.556758      8.028119
  H      -0.192778      3.959016      7.482092
  H      -4.329175      2.193770      9.134365
  H      -3.540339      3.773292      9.020729
  H      -2.830147      1.148181      7.603373
  H      -1.843271      2.014031      8.816710
  C      -4.035533      1.197626      3.613855
  C      -4.193872     -0.309748      3.892795
  C      -5.527033     -0.889924      3.371543
  C      -5.910760     -0.424108      1.995420
  N      -6.912918      0.442580      1.918499
  C      -7.235599      0.924496      0.691023
  N      -6.647737      0.660345     -0.458860
  C      -5.622224     -0.245083     -0.411243
  C      -4.951598     -0.596197     -1.609682
  C      -3.935427     -1.526806     -1.587831
  C      -3.545717     -2.143156     -0.375318
  C      -4.172705     -1.811152      0.808569
  C      -5.219346     -0.850253      0.819002
  C      -3.225211      6.564523      5.363089
  C      -3.198606      7.139781      3.936738
  C      -4.216854      6.531957      2.970207
  C      -5.664965      6.714207      3.347288
  N      -5.966466      7.521315      4.359820
  C      -7.267216      7.589466      4.748294
  N      -8.294078      6.932255      4.250194
  C      -8.022578      6.139997      3.163936
  C      -9.081074      5.426949      2.552449
  C      -8.837227      4.650122      1.440698
  C      -7.533879      4.555385      0.900174
  C      -6.480159      5.217800      1.495451
  C      -6.698838      6.018091      2.641607
  C      -6.123967      3.234827      7.639417
  C      -6.838742      4.520704      7.217831
  C      -8.366452      4.465158      7.284370
  C      -9.037902      3.689416      6.173006
  N      -8.302339      2.864201      5.439836
  C      -8.906475      2.204310      4.415723
  N     -10.177942      2.261652      4.066003
  C     -10.967931      3.090989      4.816288
  C     -12.344417      3.197530      4.499599
  C     -13.162733      4.036862      5.228083
  C     -12.639573      4.801032      6.296306
  C     -11.301656      4.713957      6.626626
  C     -10.436778      3.855678      5.900517
  H      -3.587727      1.333977      2.609282
  H      -5.024079      1.669487      3.595058
  H      -4.174265     -0.474666      4.981661
  H      -3.347046     -0.868947      3.471937
  H      -5.471273     -1.989173      3.395278
  H      -6.338251     -0.582761      4.042716
  H      -8.079556      1.621541      0.673314
  H      -5.271515     -0.116954     -2.534069
  H      -3.425363     -1.797604     -2.514048
  H      -2.744164     -2.886099     -0.379823
  H      -3.869170     -2.292479      1.739259
  H      -4.256177      6.631227      5.733890
  H      -2.619697      7.227575      6.008379
  H      -2.192109      7.016685      3.505735
  H      -3.381666      8.221797      4.020821
  H      -4.064106      6.955991      1.961633
  H      -4.040769      5.449817      2.867680
  H      -7.470579      8.261421      5.591017
  H     -10.078394      5.516582      2.984567
  H      -9.655004      4.098062      0.974611
  H      -7.358673      3.945961      0.011362
  H      -5.474851      5.120437      1.083813
  H      -6.240799      3.093394      8.728847
  H      -6.620559      2.385106      7.142657
  H      -6.480904      5.353353      7.847301
  H      -6.551220      4.744785      6.181604
  H      -8.712988      4.063224      8.254565
  H      -8.749118      5.496368      7.242188
  H      -8.251796      1.568045      3.812064
  H     -12.724422      2.598172      3.670520
  H     -14.221898      4.114815      4.980302
  H     -13.298136      5.461283      6.859077
  H     -10.906697      5.306287      7.450613
  N      -5.225012      3.966679      4.610457
96
Coordinates from ORCA-job orca E -6203.164844386304
  N      -3.219560      1.885674      4.632274
  Mo     -3.877660      3.542516      5.511525
  N      -4.680273      3.195583      7.295386
  C      -3.797385      2.844642      8.401560
  C      -2.523791      2.141020      7.928414
  N      -1.894649      2.851720      6.807518
  C      -1.085493      1.997313      5.932557
  C      -1.926889      1.261503      4.887201
  C      -1.245527      4.120541      7.160649
  C      -1.371834      5.091890      5.991641
  N      -2.762348      5.193757      5.558077
  H      -1.344436      1.206740      3.950784
  H      -2.065146      0.219650      5.204211
  H      -0.343174      2.623334      5.441195
  H      -0.530134      1.259211      6.521798
  H      -0.993793      6.078132      6.307281
  H      -0.717654      4.761727      5.163206
  H      -1.776679      4.542718      8.024456
  H      -0.187113      3.975592      7.450810
  H      -4.308254      2.157092      9.099580
  H      -3.535549      3.745055      8.994025
  H      -2.793503      1.141618      7.560364
  H      -1.824456      2.013325      8.778458
  C      -4.017282      1.172758      3.628579
  C      -4.197423     -0.322387      3.917177
  C      -5.531319     -0.892898      3.388172
  C      -5.895863     -0.429225      2.009626
  N      -6.890596      0.452632      1.929187
  C      -7.205762      0.939604      0.699839
  N      -6.623126      0.664098     -0.449323
  C      -5.616061     -0.258083     -0.399133
  C      -4.963314     -0.622236     -1.596974
  C      -3.954099     -1.568162     -1.572122
  C      -3.574927     -2.186293     -0.357270
  C      -4.197715     -1.841627      0.825176
  C      -5.212772     -0.867417      0.833773
  C      -3.268160      6.558254      5.398778
  C      -3.230263      7.159175      3.985802
  C      -4.234297      6.555763      3.001224
  C      -5.689132      6.724460      3.367185
  N      -6.005084      7.509764      4.385709
  C      -7.309946      7.559756      4.760249
  N      -8.327209      6.900202      4.245442
  C      -8.038114      6.122209      3.156239
  C      -9.079577      5.394681      2.529027
  C      -8.814268      4.622568      1.413065
  C      -7.506711      4.552010      0.885367
  C      -6.469681      5.228568      1.497575
  C      -6.709035      6.020346      2.647208
  C      -6.117826      3.214280      7.618945
  C      -6.825912      4.512037      7.221062
  C      -8.357254      4.464751      7.285954
  C      -9.033141      3.725059      6.158373
  N      -8.298834      2.929230      5.404732
  C      -8.904434      2.286039      4.368377
  N     -10.173492      2.335769      4.022244
  C     -10.963007      3.141886      4.791477
  C     -12.341604      3.252669      4.478146
  C     -13.160276      4.063116      5.229252
  C     -12.634997      4.799276      6.315838
  C     -11.295090      4.709488      6.641767
  C     -10.430944      3.881986      5.893055
  H      -3.567737      1.292978      2.623361
  H      -4.998370      1.658672      3.599652
  H      -4.183621     -0.474754      5.006667
  H      -3.356826     -0.895812      3.503476
  H      -5.486183     -1.992584      3.411661
  H      -6.346045     -0.574898      4.055240
  H      -8.032712      1.651714      0.680471
  H      -5.285893     -0.139737     -2.524100
  H      -3.449163     -1.849698     -2.497974
  H      -2.793472     -2.939539     -0.360138
  H      -3.907303     -2.324195      1.757229
  H      -4.301741      6.604263      5.756879
  H      -2.681516      7.218977      6.061846
  H      -2.216334      7.052024      3.565055
  H      -3.426196      8.240409      4.086779
  H      -4.076921      6.993483      2.001105
  H      -4.047171      5.474940      2.886260
  H      -7.523542      8.210358      5.610387
  H     -10.079032      5.463837      2.952113
  H      -9.618058      4.057230      0.935204
  H      -7.315219      3.950619     -0.006065
  H      -5.461421      5.148858      1.097843
  H      -6.238744      3.054242      8.705106
  H      -6.618457      2.379298      7.107876
  H      -6.464220      5.326130      7.865447
  H      -6.533139      4.754751      6.192805
  H      -8.706339      4.038229      8.240962
  H      -8.736961      5.494800      7.274330
  H      -8.244630      1.643585      3.752829
  H     -12.722075      2.681913      3.633465
  H     -14.223896      4.152115      4.983877
  H     -13.298119      5.457574      6.894670
  H     -10.901255      5.291955      7.478116
  N      -5.205141      3.959025      4.579247
96
Coordinates from ORCA-job orca E -6203.166363483947
  N      -3.222468      1.910726      4.619327
  Mo     -3.882045      3.553151      5.528320
  N      -4.679436      3.189737      7.308239
  C      -3.799749      2.815977      8.410305
  C      -2.525034      2.120859      7.930048
  N      -1.900491      2.850514      6.819751
  C      -1.090956      2.012321      5.931061
  C      -1.944412      1.265277      4.897541
  C      -1.257722      4.118455      7.187054
  C      -1.372774      5.097985      6.019087
  N      -2.760437      5.201152      5.567623
  H      -1.357869      1.177637      3.963042
  H      -2.109228      0.229844      5.239064
  H      -0.366066      2.657659      5.428337
  H      -0.510654      1.277061      6.510839
  H      -1.001006      6.083903      6.345228
  H      -0.705587      4.774174      5.196971
  H      -1.800855      4.534898      8.046900
  H      -0.201237      3.974207      7.490114
  H      -4.313023      2.113938      9.092640
  H      -3.538822      3.704332      9.022909
  H      -2.793918      1.124943      7.548293
  H      -1.823853      1.981754      8.778428
  C      -4.016450      1.201754      3.609858
  C      -4.206135     -0.294076      3.905616
  C      -5.543178     -0.863331      3.381531
  C      -5.912858     -0.409113      1.999142
  N      -6.908592      0.468613      1.908239
  C      -7.219753      0.944242      0.675328
  N      -6.627977      0.662961     -0.467900
  C      -5.616027     -0.255221     -0.406850
  C      -4.949391     -0.625958     -1.597509
  C      -3.943238     -1.568652     -1.561450
  C      -3.568394     -2.177761     -0.342618
  C      -4.195286     -1.826782      0.833313
  C      -5.221313     -0.854410      0.830591
  C      -3.258720      6.567637      5.379836
  C      -3.217995      7.143473      3.954682
  C      -4.225389      6.533295      2.978991
  C      -5.677875      6.708518      3.344358
  N      -5.989061      7.502114      4.359071
  C      -7.293549      7.563893      4.734609
  N      -8.315349      6.908830      4.223218
  C      -8.030463      6.123276      3.136809
  C      -9.078954      5.407003      2.511121
  C      -8.822346      4.636500      1.394698
  C      -7.516136      4.555467      0.865512
  C      -6.471431      5.220123      1.477159
  C      -6.702468      6.010378      2.626729
  C      -6.115336      3.209082      7.638931
  C      -6.824449      4.502115      7.234804
  C      -8.355420      4.454208      7.302623
  C      -9.030579      3.707085      6.176192
  N      -8.296092      2.902132      5.423566
  C      -8.900889      2.258787      4.385657
  N     -10.169736      2.315377      4.037656
  C     -10.958839      3.125260      4.807630
  C     -12.337366      3.240695      4.493110
  C     -13.156843      4.058552      5.244260
  C     -12.630518      4.792392      6.332083
  C     -11.291869      4.702010      6.658623
  C     -10.427820      3.869161      5.909767
  H      -3.554789      1.316780      2.608592
  H      -4.994747      1.694340      3.572247
  H      -4.195591     -0.444310      4.996206
  H      -3.364298     -0.872135      3.495277
  H      -5.500371     -1.963461      3.416130
  H      -6.355410     -0.539240      4.045345
  H      -8.053706      1.652170      0.647273
  H      -5.264259     -0.151203     -2.527972
  H      -3.433845     -1.855036     -2.481381
  H      -2.778400     -2.929803     -0.336565
  H      -3.905338     -2.302749      1.769028
  H      -4.292689      6.626351      5.736159
  H      -2.670143      7.239665      6.029775
  H      -2.205280      7.023161      3.534734
  H      -3.406069      8.226356      4.037473
  H      -4.068447      6.958870      1.973585
  H      -4.041233      5.453539      2.876172
  H      -7.505542      8.230790      5.579620
  H     -10.079219      5.488487      2.935161
  H      -9.633664      4.083642      0.917225
  H      -7.333062      3.961512     -0.026984
  H      -5.465851      5.136725      1.076105
  H      -6.228636      3.059988      8.726108
  H      -6.618696      2.368726      7.140496
  H      -6.463280      5.321406      7.874042
  H      -6.532720      4.738505      6.204194
  H      -8.706850      4.030611      8.262889
  H      -8.733678      5.488760      7.286238
  H      -8.247602      1.637646      3.766842
  H     -12.717311      2.667200      3.647600
  H     -14.218967      4.145964      4.999008
  H     -13.290472      5.441244      6.912138
  H     -10.896528      5.278451      7.496160
  N      -5.212879      3.972133      4.604418
96
Coordinates from ORCA-job orca E -6203.166481149056
  N      -3.213482      1.911708      4.589441
  Mo     -3.867872      3.560286      5.508820
  N      -4.667764      3.180688      7.276860
  C      -3.787622      2.790213      8.375289
  C      -2.505282      2.110106      7.882994
  N      -1.879513      2.857110      6.784254
  C      -1.071075      2.024790      5.888593
  C      -1.948781      1.250336      4.876872
  C      -1.239302      4.121547      7.176234
  C      -1.369859      5.132920      6.038250
  N      -2.759062      5.228479      5.585637
  H      -1.368494      1.126303      3.935451
  H      -2.133083      0.219893      5.254384
  H      -0.364619      2.692516      5.363035
  H      -0.458359      1.293545      6.467045
  H      -1.012451      6.114580      6.395468
  H      -0.695608      4.848078      5.207331
  H      -1.779980      4.509490      8.050507
  H      -0.180117      3.975731      7.467835
  H      -4.300395      2.071312      9.039187
  H      -3.538533      3.669677      9.004566
  H      -2.766564      1.115507      7.486354
  H      -1.802787      1.965764      8.729625
  C      -4.019193      1.199077      3.586941
  C      -4.235684     -0.293716      3.913197
  C      -5.580660     -0.841469      3.397290
  C      -5.938781     -0.404602      2.002709
  N      -6.918744      0.476520      1.891142
  C      -7.220184      0.934363      0.645967
  N      -6.626540      0.632544     -0.490735
  C      -5.615163     -0.291881     -0.407527
  C      -4.932886     -0.686578     -1.589719
  C      -3.943960     -1.634948     -1.531723
  C      -3.579571     -2.229201     -0.297787
  C      -4.212185     -1.855569      0.870992
  C      -5.242580     -0.873103      0.844035
  C      -3.278582      6.586747      5.428161
  C      -3.244527      7.189386      4.013885
  C      -4.236375      6.580071      3.020155
  C      -5.694208      6.738940      3.374044
  N      -6.028163      7.540772      4.381290
  C      -7.336963      7.586311      4.742670
  N      -8.341335      6.915274      4.220559
  C      -8.036982      6.131286      3.139206
  C      -9.072570      5.404546      2.502573
  C      -8.797366      4.636106      1.393207
  C      -7.482786      4.562164      0.881804
  C      -6.451312      5.240391      1.503027
  C      -6.702510      6.031713      2.646583
  C      -6.099918      3.190070      7.609735
  C      -6.815768      4.487772      7.211148
  C      -8.341702      4.428265      7.296642
  C      -9.020981      3.689102      6.165839
  N      -8.286012      2.892596      5.402787
  C      -8.896314      2.282143      4.358985
  N     -10.171016      2.356159      4.015058
  C     -10.958618      3.152881      4.795256
  C     -12.332624      3.258825      4.486066
  C     -13.150915      4.066946      5.247672
  C     -12.629637      4.805907      6.340073
  C     -11.290998      4.714859      6.662226
  C     -10.424174      3.874165      5.904469
  H      -3.544642      1.289226      2.587642
  H      -4.988628      1.706958      3.534458
  H      -4.233514     -0.422533      5.007122
  H      -3.405227     -0.895595      3.520926
  H      -5.561931     -1.935635      3.454631
  H      -6.382198     -0.488938      4.052626
  H      -8.048599      1.647726      0.600143
  H      -5.231883     -0.224667     -2.530745
  H      -3.430884     -1.938739     -2.444979
  H      -2.797296     -2.987391     -0.273858
  H      -3.929145     -2.321065      1.818115
  H      -4.315067      6.618606      5.781379
  H      -2.701815      7.253577      6.095215
  H      -2.231219      7.100360      3.599311
  H      -3.453787      8.261825      4.114759
  H      -4.071666      7.022637      2.020800
  H      -4.045903      5.499685      2.902836
  H      -7.566600      8.248791      5.583496
  H     -10.077540      5.473216      2.914845
  H      -9.597183      4.068366      0.909395
  H      -7.278665      3.946194     -0.005249
  H      -5.435576      5.157085      1.113928
  H      -6.207522      3.034961      8.700321
  H      -6.601636      2.346849      7.103626
  H      -6.447991      5.313686      7.850996
  H      -6.540211      4.729347      6.171585
  H      -8.672968      3.992980      8.257031
  H      -8.729807      5.458250      7.294071
  H      -8.240367      1.662668      3.734212
  H     -12.709635      2.682024      3.635445
  H     -14.206456      4.136261      5.007896
  H     -13.286388      5.435270      6.927904
  H     -10.894365      5.277626      7.504582
  N      -5.185893      3.980197      4.567046
96
Coordinates from ORCA-job orca E -6203.168019469474
  N      -3.220906      1.930348      4.591428
  Mo     -3.876162      3.567879      5.525392
  N      -4.668327      3.176016      7.299037
  C      -3.786928      2.772447      8.391965
  C      -2.505140      2.099078      7.890054
  N      -1.888032      2.859639      6.796270
  C      -1.082714      2.044111      5.884328
  C      -1.967575      1.253321      4.902339
  C      -1.251339      4.123580      7.194705
  C      -1.375360      5.137266      6.056412
  N      -2.762452      5.232630      5.592803
  H      -1.389265      1.090081      3.968774
  H      -2.165324      0.240404      5.310768
  H      -0.410468      2.721501      5.338073
  H      -0.439080      1.332912      6.443387
  H      -1.022766      6.119201      6.419686
  H      -0.692935      4.855321      5.230265
  H      -1.799562      4.510091      8.065707
  H      -0.192918      3.978804      7.494333
  H      -4.298534      2.046213      9.048608
  H      -3.536649      3.644227      9.032772
  H      -2.766056      1.108211      7.484812
  H      -1.799084      1.946461      8.732256
  C      -4.018328      1.219072      3.582425
  C      -4.246339     -0.268259      3.911220
  C      -5.589717     -0.821070      3.384787
  C      -5.941054     -0.390315      1.989022
  N      -6.932332      0.487684      1.871122
  C      -7.228745      0.936296      0.624468
  N      -6.626777      0.630475     -0.508166
  C      -5.616774     -0.288367     -0.418392
  C      -4.939268     -0.685721     -1.596324
  C      -3.936585     -1.632229     -1.531714
  C      -3.576643     -2.219122     -0.295799
  C      -4.216019     -1.841185      0.868155
  C      -5.241854     -0.862303      0.834971
  C      -3.272552      6.593626      5.407652
  C      -3.232236      7.171479      3.983138
  C      -4.227507      6.554937      3.000366
  C      -5.683730      6.724504      3.355659
  N      -6.010148      7.528231      4.364313
  C      -7.319967      7.586596      4.728297
  N      -8.331968      6.925762      4.206925
  C      -8.034088      6.139096      3.123389
  C      -9.075553      5.426817      2.484736
  C      -8.805087      4.658932      1.373760
  C      -7.489109      4.568876      0.862270
  C      -6.452417      5.231501      1.484878
  C      -6.699078      6.025860      2.629152
  C      -6.099479      3.189179      7.637335
  C      -6.813160      4.482500      7.231604
  C      -8.339391      4.425515      7.309847
  C      -9.015338      3.679825      6.178223
  N      -8.281519      2.878152      5.416903
  C      -8.887544      2.249393      4.372602
  N     -10.159919      2.321160      4.027165
  C     -10.947645      3.126481      4.806250
  C     -12.324235      3.245572      4.494505
  C     -13.141763      4.060653      5.254853
  C     -12.615088      4.783553      6.349320
  C     -11.275731      4.684364      6.673182
  C     -10.413427      3.852757      5.915665
  H      -3.530938      1.299592      2.589889
  H      -4.983376      1.732273      3.515924
  H      -4.253884     -0.389723      5.005196
  H      -3.414327     -0.874871      3.529935
  H      -5.568043     -1.921316      3.441934
  H      -6.401365     -0.468303      4.034915
  H      -8.061523      1.645149      0.573440
  H      -5.239099     -0.229149     -2.539260
  H      -3.418214     -1.938631     -2.441581
  H      -2.786018     -2.975459     -0.266485
  H      -3.937540     -2.300085      1.816823
  H      -4.310581      6.639617      5.761935
  H      -2.689836      7.270600      6.061698
  H      -2.218739      7.064433      3.569807
  H      -3.430189      8.248726      4.065365
  H      -4.061009      6.983229      1.994186
  H      -4.042637      5.472797      2.898376
  H      -7.545140      8.257123      5.568105
  H     -10.080832      5.507388      2.896065
  H      -9.609315      4.105356      0.888397
  H      -7.289358      3.957229     -0.025261
  H      -5.436435      5.139233      1.094690
  H      -6.203405      3.044176      8.727519
  H      -6.605169      2.342970      7.142146
  H      -6.449349      5.306399      7.868950
  H      -6.532648      4.719732      6.196382
  H      -8.674459      3.992361      8.272022
  H      -8.727540      5.456868      7.302867
  H      -8.235494      1.635158      3.746691
  H     -12.704091      2.679096      3.642177
  H     -14.202121      4.149015      5.011927
  H     -13.272340      5.423639      6.936672
  H     -10.878029      5.246257      7.516378
  N      -5.202568      3.984322      4.593686
96
Coordinates from ORCA-job orca E -6203.168522302271
  N      -3.212195      1.936157      4.580388
  Mo     -3.877239      3.563510      5.519532
  N      -4.664252      3.152595      7.294125
  C      -3.781142      2.739716      8.380792
  C      -2.493516      2.086677      7.873302
  N      -1.887036      2.865020      6.785304
  C      -1.081352      2.074184      5.854359
  C      -1.965689      1.256168      4.911329
  C      -1.261623      4.129311      7.193271
  C      -1.395798      5.152489      6.065904
  N      -2.780878      5.233688      5.602561
  H      -1.391264      1.054355      3.985971
  H      -2.164815      0.267034      5.356340
  H      -0.458629      2.765028      5.281367
  H      -0.399124      1.396332      6.391451
  H      -1.061106      6.134353      6.442159
  H      -0.707435      4.891006      5.238241
  H      -1.811091      4.502366      8.069129
  H      -0.202334      3.990059      7.488577
  H      -4.287256      2.001238      9.027594
  H      -3.537553      3.602530      9.033928
  H      -2.744201      1.099851      7.459304
  H      -1.786428      1.931431      8.712617
  C      -4.007101      1.224494      3.569573
  C      -4.251902     -0.256127      3.911269
  C      -5.599390     -0.801758      3.387179
  C      -5.951511     -0.379517      1.986980
  N      -6.935848      0.499993      1.857559
  C      -7.232701      0.938768      0.606112
  N      -6.631837      0.621591     -0.519977
  C      -5.620739     -0.298984     -0.418043
  C      -4.929781     -0.709539     -1.587374
  C      -3.935629     -1.656555     -1.509772
  C      -3.582729     -2.232427     -0.268954
  C      -4.219301     -1.843083      0.887053
  C      -5.247388     -0.863034      0.841023
  C      -3.291552      6.593671      5.414232
  C      -3.230920      7.175383      3.994339
  C      -4.220345      6.568838      3.002213
  C      -5.677272      6.730835      3.351160
  N      -6.003068      7.515099      4.364891
  C      -7.313288      7.565137      4.726854
  N      -8.327680      6.909235      4.199742
  C      -8.027376      6.130539      3.114355
  C      -9.067385      5.412852      2.472297
  C      -8.793213      4.639448      1.358623
  C      -7.477204      4.561684      0.849137
  C      -6.442265      5.231919      1.475163
  C      -6.690561      6.024083      2.621881
  C      -6.095999      3.168242      7.638653
  C      -6.807197      4.461672      7.242733
  C      -8.337204      4.411390      7.321782
  C      -9.016317      3.683972      6.184141
  N      -8.283903      2.892359      5.415548
  C      -8.891153      2.275773      4.364325
  N     -10.159813      2.345500      4.017745
  C     -10.946846      3.140933      4.804231
  C     -12.325039      3.270104      4.491333
  C     -13.142065      4.071768      5.261332
  C     -12.614835      4.783045      6.364752
  C     -11.277244      4.684921      6.688233
  C     -10.414334      3.860315      5.922202
  H      -3.509751      1.291314      2.581160
  H      -4.967966      1.747036      3.487415
  H      -4.264800     -0.370106      5.006950
  H      -3.419414     -0.872709      3.537308
  H      -5.584010     -1.902634      3.456447
  H      -6.410552     -0.438952      4.032344
  H      -8.064425      1.648440      0.545232
  H      -5.225374     -0.261377     -2.535264
  H      -3.415762     -1.973010     -2.413237
  H      -2.799248     -2.989286     -0.229533
  H      -3.943617     -2.294511      1.840206
  H      -4.332927      6.641338      5.754286
  H      -2.719780      7.267581      6.073439
  H      -2.209028      7.058683      3.589897
  H      -3.423995      8.260436      4.077996
  H      -4.055374      7.003075      2.003777
  H      -4.027810      5.493436      2.894465
  H      -7.537360      8.224225      5.573018
  H     -10.077371      5.494460      2.883048
  H      -9.599686      4.086836      0.870406
  H      -7.280873      3.975451     -0.037122
  H      -5.431074      5.157845      1.087317
  H      -6.198626      3.019470      8.725962
  H      -6.605625      2.328019      7.144304
  H      -6.440908      5.278571      7.882332
  H      -6.524810      4.702961      6.211325
  H      -8.679397      3.968184      8.277781
  H      -8.720122      5.446167      7.326062
  H      -8.240138      1.668976      3.732118
  H     -12.705407      2.717806      3.631529
  H     -14.203435      4.166054      5.018204
  H     -13.273520      5.420212      6.958658
  H     -10.880524      5.244823      7.537587
  N      -5.206702      3.988768      4.595958
96
Coordinates from ORCA-job orca E -6203.169481088043
  N      -3.206592      1.950626      4.570976
  Mo     -3.875816      3.566587      5.531051
  N      -4.658317      3.136426      7.300270
  C      -3.775194      2.712310      8.381902
  C      -2.485036      2.070314      7.867801
  N      -1.884424      2.865590      6.789839
  C      -1.079525      2.092997      5.844306
  C      -1.975062      1.255603      4.924541
  C      -1.266482      4.128102      7.212684
  C      -1.400075      5.162234      6.093590
  N      -2.782741      5.239037      5.619147
  H      -1.402263      1.013556      4.005029
  H      -2.195687      0.281762      5.402896
  H      -0.486992      2.804677      5.252259
  H      -0.363669      1.427714      6.367947
  H      -1.076342      6.142673      6.483618
  H      -0.702131      4.915768      5.268622
  H      -1.824055      4.490552      8.088434
  H      -0.207840      3.991191      7.513780
  H      -4.279995      1.963755      9.018828
  H      -3.534588      3.567012      9.046907
  H      -2.731940      1.086996      7.443236
  H      -1.777147      1.908160      8.704603
  C      -3.997088      1.239441      3.558292
  C      -4.260611     -0.236175      3.913457
  C      -5.607595     -0.776318      3.383618
  C      -5.948722     -0.365704      1.978773
  N      -6.938890      0.511949      1.839210
  C      -7.229294      0.939929      0.583173
  N      -6.616057      0.615131     -0.539028
  C      -5.609090     -0.302663     -0.426962
  C      -4.922925     -0.719690     -1.592397
  C      -3.922759     -1.666670     -1.505247
  C      -3.572413     -2.235156     -0.258599
  C      -4.220059     -1.837609      0.893699
  C      -5.240655     -0.857835      0.838077
  C      -3.293688      6.596936      5.408293
  C      -3.233973      7.160765      3.978848
  C      -4.227440      6.545863      2.992865
  C      -5.685560      6.718798      3.340033
  N      -6.012172      7.513075      4.350911
  C      -7.323454      7.571429      4.710111
  N      -8.336909      6.915770      4.183523
  C      -8.036430      6.133111      3.099024
  C      -9.076058      5.421112      2.454653
  C      -8.802507      4.653677      1.342504
  C      -7.486517      4.570350      0.835418
  C      -6.450926      5.232632      1.463794
  C      -6.699705      6.021358      2.609004
  C      -6.087998      3.153277      7.652573
  C      -6.799039      4.446473      7.247266
  C      -8.328483      4.398036      7.329414
  C      -9.012472      3.676829      6.191424
  N      -8.284599      2.884560      5.419960
  C      -8.896710      2.276661      4.367108
  N     -10.166806      2.354444      4.022284
  C     -10.949029      3.149345      4.812718
  C     -12.325941      3.281411      4.501791
  C     -13.138609      4.085988      5.275187
  C     -12.606979      4.792064      6.380752
  C     -11.268165      4.683764      6.702788
  C     -10.410583      3.859737      5.932565
  H      -3.485619      1.291527      2.575564
  H      -4.952633      1.770683      3.460435
  H      -4.284843     -0.337999      5.009858
  H      -3.430641     -0.863929      3.553626
  H      -5.602257     -1.874236      3.461675
  H      -6.418174     -0.401836      4.019152
  H      -8.062366      1.647036      0.514590
  H      -5.218033     -0.277400     -2.544987
  H      -3.397184     -1.988658     -2.405811
  H      -2.788092     -2.991925     -0.211884
  H      -3.950200     -2.282707      1.851247
  H      -4.334691      6.646089      5.745892
  H      -2.723341      7.282672      6.059576
  H      -2.213896      7.038770      3.575012
  H      -3.423158      8.243969      4.050553
  H      -4.057215      6.968822      1.988037
  H      -4.041646      5.466042      2.895740
  H      -7.548686      8.237334      5.551924
  H     -10.084668      5.503620      2.862453
  H      -9.607868      4.103265      0.853036
  H      -7.287976      3.973873     -0.052071
  H      -5.436949      5.151304      1.077447
  H      -6.183573      3.017509      8.745153
  H      -6.600566      2.304118      7.170351
  H      -6.432028      5.269426      7.882720
  H      -6.516825      4.681068      6.211596
  H      -8.669398      3.951464      8.282494
  H      -8.708766      5.431768      7.339544
  H      -8.247218      1.659343      3.731210
  H     -12.709219      2.731457      3.639558
  H     -14.198938      4.183861      5.033552
  H     -13.261420      5.428379      6.977773
  H     -10.867352      5.235706      7.554058
  N      -5.207038      3.995066      4.611231
96
Coordinates from ORCA-job orca E -6203.170467881722
  N      -3.203464      1.985496      4.527593
  Mo     -3.872258      3.583102      5.520597
  N      -4.637420      3.113533      7.288058
  C      -3.740592      2.682136      8.357476
  C      -2.447844      2.060320      7.823063
  N      -1.863935      2.875963      6.751021
  C      -1.070659      2.123490      5.778480
  C      -1.980293      1.277922      4.884665
  C      -1.247810      4.134453      7.188696
  C      -1.403829      5.191629      6.095344
  N      -2.791304      5.263749      5.635017
  H      -1.418022      1.010596      3.967053
  H      -2.208411      0.317109      5.385508
  H      -0.518304      2.851424      5.167898
  H      -0.321654      1.472805      6.273660
  H      -1.088704      6.166129      6.507432
  H      -0.710615      4.975847      5.258416
  H      -1.795396      4.475022      8.078885
  H      -0.184563      3.998922      7.472398
  H      -4.233476      1.919153      8.986326
  H      -3.504452      3.529724      9.033961
  H      -2.689469      1.080376      7.386774
  H      -1.730808      1.892772      8.651420
  C      -4.002266      1.278013      3.520961
  C      -4.343175     -0.170745      3.920661
  C      -5.703390     -0.663011      3.377448
  C      -5.989719     -0.296925      1.947917
  N      -6.946763      0.603748      1.745314
  C      -7.197281      0.979052      0.463473
  N      -6.576812      0.578788     -0.629452
  C      -5.599000     -0.360010     -0.451234
  C      -4.902979     -0.854609     -1.581010
  C      -3.932449     -1.823952     -1.426243
  C      -3.624270     -2.339621     -0.145214
  C      -4.282924     -1.867659      0.972757
  C      -5.273455     -0.862999      0.847532
  C      -3.316387      6.619894      5.457229
  C      -3.258329      7.221590      4.042518
  C      -4.234872      6.617388      3.032323
  C      -5.698316      6.755010      3.372636
  N      -6.048371      7.520456      4.398627
  C      -7.362904      7.542388      4.750058
  N      -8.358053      6.875065      4.204330
  C      -8.034379      6.123317      3.104665
  C      -9.053576      5.399670      2.441097
  C      -8.755361      4.659091      1.316352
  C      -7.434466      4.616289      0.813787
  C      -6.418613      5.292244      1.459082
  C      -6.692764      6.052793      2.619243
  C      -6.064312      3.113806      7.655021
  C      -6.793343      4.403732      7.271356
  C      -8.320670      4.337015      7.359739
  C      -8.999056      3.625335      6.211475
  N      -8.269461      2.832321      5.440911
  C      -8.875764      2.235586      4.378353
  N     -10.140811      2.333921      4.018399
  C     -10.924155      3.132526      4.805717
  C     -12.293745      3.289091      4.475705
  C     -13.105821      4.096226      5.245989
  C     -12.582632      4.777422      6.370023
  C     -11.251036      4.645083      6.710758
  C     -10.392916      3.821130      5.941410
  H      -3.470029      1.275207      2.547942
  H      -4.930793      1.845056      3.386181
  H      -4.400019     -0.230070      5.018936
  H      -3.536949     -0.850747      3.606804
  H      -5.757506     -1.757095      3.500327
  H      -6.510710     -0.220873      3.976671
  H      -8.009733      1.701484      0.342223
  H      -5.166009     -0.452838     -2.560631
  H      -3.399488     -2.205898     -2.299085
  H      -2.863602     -3.115645     -0.044755
  H      -4.045681     -2.272553      1.956903
  H      -4.359628      6.647380      5.793423
  H      -2.755236      7.295479      6.128685
  H      -2.235177      7.126501      3.642526
  H      -3.464178      8.299059      4.141847
  H      -4.064243      7.071101      2.039800
  H      -4.030344      5.542576      2.906804
  H      -7.607345      8.182732      5.604963
  H     -10.065667      5.448601      2.845855
  H      -9.544232      4.097228      0.813664
  H      -7.215754      4.037617     -0.084391
  H      -5.399036      5.240960      1.076244
  H      -6.147677      2.965464      8.746775
  H      -6.572795      2.264251      7.169047
  H      -6.431501      5.222801      7.914013
  H      -6.521833      4.654222      6.237764
  H      -8.653061      3.873526      8.307660
  H      -8.711939      5.366243      7.385718
  H      -8.226558      1.616668      3.746297
  H     -12.671039      2.757337      3.600839
  H     -14.160122      4.214990      4.987601
  H     -13.237310      5.416355      6.965571
  H     -10.855880      5.179768      7.575045
  N      -5.212354      4.018203      4.616731
96
Coordinates from ORCA-job orca E -6203.170464202658
  N      -3.180850      2.033933      4.460742
  Mo     -3.873239      3.595991      5.495956
  N      -4.625558      3.063711      7.252246
  C      -3.715305      2.628633      8.311295
  C      -2.410001      2.046125      7.760878
  N      -1.845109      2.895593      6.704495
  C      -1.050201      2.178938      5.704029
  C      -1.955346      1.329643      4.814182
  C      -1.246155      4.153295      7.168302
  C      -1.432778      5.238742      6.108673
  N      -2.824681      5.294382      5.659686
  H      -1.395206      1.062708      3.896812
  H      -2.179216      0.368998      5.318537
  H      -0.538476      2.933143      5.090127
  H      -0.269960      1.544471      6.170579
  H      -1.136242      6.206622      6.550066
  H      -0.741680      5.066518      5.260608
  H      -1.788936      4.459431      8.073429
  H      -0.177773      4.029220      7.436375
  H      -4.190921      1.843007      8.925128
  H      -3.496487      3.467991      9.004471
  H      -2.632519      1.069934      7.305379
  H      -1.687517      1.876488      8.584678
  C      -3.978502      1.314795      3.466721
  C      -4.365257     -0.106785      3.919137
  C      -5.734595     -0.576278      3.378825
  C      -5.993280     -0.263687      1.931104
  N      -6.927676      0.647563      1.680286
  C      -7.161797      0.966919      0.379797
  N      -6.548582      0.500716     -0.689978
  C      -5.588979     -0.446224     -0.461076
  C      -4.897287     -1.007366     -1.562791
  C      -3.943998     -1.984818     -1.356152
  C      -3.652288     -2.443124     -0.049180
  C      -4.308122     -1.907253      1.041612
  C      -5.280302     -0.892302      0.862895
  C      -3.383164      6.641080      5.528181
  C      -3.329311      7.294078      4.136081
  C      -4.262520      6.680831      3.089994
  C      -5.734987      6.734424      3.414469
  N      -6.135773      7.449663      4.459084
  C      -7.452004      7.387794      4.797974
  N      -8.402788      6.680293      4.225508
  C      -8.029257      5.980615      3.107352
  C      -9.000060      5.216509      2.417618
  C      -8.650872      4.523023      1.277153
  C      -7.325974      4.570297      0.782203
  C      -6.356464      5.290238      1.450125
  C      -6.682884      6.002091      2.629753
  C      -6.050930      3.039799      7.627100
  C      -6.790432      4.342300      7.309285
  C      -8.316367      4.268738      7.401834
  C      -9.003692      3.646949      6.205932
  N      -8.283946      2.909752      5.371574
  C      -8.897634      2.409098      4.264068
  N     -10.160781      2.557641      3.914001
  C     -10.934166      3.299575      4.765607
  C     -12.299669      3.506572      4.448506
  C     -13.099764      4.260033      5.282184
  C     -12.569878      4.831145      6.461510
  C     -11.242130      4.647081      6.791650
  C     -10.394733      3.880413      5.955069
  H      -3.433288      1.261352      2.502604
  H      -4.890107      1.897440      3.297508
  H      -4.438615     -0.116714      5.018143
  H      -3.577721     -0.824259      3.647336
  H      -5.830619     -1.662905      3.546989
  H      -6.533950     -0.080498      3.949495
  H      -7.955151      1.701786      0.218744
  H      -5.147836     -0.649304     -2.562434
  H      -3.414240     -2.417987     -2.207018
  H      -2.905356     -3.226909      0.093022
  H      -4.083513     -2.268586      2.045548
  H      -4.430913      6.625209      5.854084
  H      -2.847708      7.306766      6.231996
  H      -2.298647      7.256020      3.749951
  H      -3.581791      8.357148      4.268581
  H      -4.100302      7.177568      2.115520
  H      -4.004679      5.620687      2.929512
  H      -7.738888      7.987964      5.668019
  H     -10.015177      5.193994      2.816043
  H      -9.401283      3.927793      0.754965
  H      -7.066152      4.023421     -0.128910
  H      -5.332159      5.308958      1.071348
  H      -6.125797      2.844733      8.711848
  H      -6.556286      2.207916      7.109251
  H      -6.427408      5.127991      7.990935
  H      -6.527568      4.647773      6.289196
  H      -8.642946      3.740202      8.317162
  H      -8.705688      5.293531      7.504109
  H      -8.257157      1.843910      3.579185
  H     -12.683539      3.057128      3.532510
  H     -14.150673      4.420527      5.031985
  H     -13.215919      5.427891      7.109230
  H     -10.842221      5.096809      7.700210
  N      -5.223011      4.028165      4.605092
96
Coordinates from ORCA-job orca E -6203.171489272371
  N      -3.150807      2.051843      4.408411
  Mo     -3.845756      3.602491      5.460107
  N      -4.605939      3.043858      7.205414
  C      -3.695943      2.618155      8.269892
  C      -2.385015      2.041481      7.725728
  N      -1.817361      2.890961      6.671114
  C      -1.029889      2.176056      5.660906
  C      -1.940684      1.330597      4.776467
  C      -1.211231      4.142349      7.140952
  C      -1.405496      5.240021      6.097127
  N      -2.800571      5.300005      5.661016
  H      -1.380159      1.042444      3.866321
  H      -2.184952      0.380266      5.292218
  H      -0.535477      2.935294      5.038283
  H      -0.238538      1.547624      6.116133
  H      -1.107075      6.201613      6.550828
  H      -0.721564      5.082484      5.240955
  H      -1.743590      4.439900      8.054935
  H      -0.140887      4.012708      7.396379
  H      -4.169531      1.830301      8.882161
  H      -3.487343      3.460669      8.961976
  H      -2.602465      1.063718      7.271645
  H      -1.666015      1.875399      8.553327
  C      -3.952583      1.331737      3.423653
  C      -4.418297     -0.047269      3.931201
  C      -5.794631     -0.469617      3.373237
  C      -5.995573     -0.221926      1.902790
  N      -6.872791      0.719162      1.577871
  C      -7.057877      0.978192      0.255107
  N      -6.445834      0.424898     -0.771273
  C      -5.537368     -0.552682     -0.464968
  C      -4.843082     -1.205394     -1.515685
  C      -3.944440     -2.211216     -1.231146
  C      -3.707396     -2.609095      0.106617
  C      -4.362850     -1.985928      1.149167
  C      -5.284152     -0.938564      0.889684
  C      -3.361509      6.646907      5.561660
  C      -3.304986      7.329090      4.184805
  C      -4.258189      6.756160      3.134005
  C      -5.726507      6.858045      3.463691
  N      -6.097868      7.589518      4.507133
  C      -7.415061      7.580893      4.844813
  N      -8.394343      6.915742      4.269662
  C      -8.049500      6.202523      3.151305
  C      -9.051750      5.482403      2.457851
  C      -8.729174      4.766659      1.322140
  C      -7.401722      4.752035      0.833033
  C      -6.404264      5.435635      1.499587
  C      -6.702687      6.165023      2.677154
  C      -6.032731      2.999857      7.574572
  C      -6.797333      4.287383      7.254016
  C      -8.321533      4.184647      7.356022
  C      -9.012430      3.545498      6.171050
  N      -8.295771      2.803448      5.338537
  C      -8.918181      2.289781      4.242929
  N     -10.185637      2.427684      3.903856
  C     -10.955377      3.173718      4.753903
  C     -12.322932      3.373961      4.444235
  C     -13.119108      4.130452      5.277021
  C     -12.584551      4.712037      6.449380
  C     -11.254361      4.536797      6.770896
  C     -10.408411      3.767921      5.932078
  H      -3.386087      1.208663      2.478400
  H      -4.831797      1.947286      3.203759
  H      -4.522035      0.002065      5.027290
  H      -3.661042     -0.815628      3.719668
  H      -5.959936     -1.537629      3.594443
  H      -6.578949      0.099634      3.892605
  H      -7.801492      1.748046      0.031728
  H      -5.050569     -0.892323     -2.539840
  H      -3.415504     -2.713913     -2.042828
  H      -3.002747     -3.416333      0.311277
  H      -4.179833     -2.301795      2.176930
  H      -4.409107      6.623698      5.886927
  H      -2.825609      7.295075      6.281000
  H      -2.278013      7.280277      3.790597
  H      -3.537525      8.393567      4.341805
  H      -4.083293      7.260235      2.166012
  H      -4.034411      5.690229      2.959800
  H      -7.677134      8.191877      5.714121
  H     -10.068515      5.507213      2.851206
  H      -9.503383      4.201172      0.799739
  H      -7.163093      4.186311     -0.072198
  H      -5.379676      5.408504      1.123775
  H      -6.106671      2.803933      8.659175
  H      -6.521946      2.159365      7.056384
  H      -6.445713      5.083029      7.930682
  H      -6.545710      4.594348      6.230933
  H      -8.629815      3.655309      8.276960
  H      -8.728319      5.202547      7.456209
  H      -8.281243      1.725403      3.555477
  H     -12.711854      2.915791      3.534399
  H     -14.170859      4.284939      5.031994
  H     -13.228087      5.308476      7.098161
  H     -10.851462      4.992870      7.674867
  N      -5.190794      4.046628      4.568100
96
Coordinates from ORCA-job orca E -6203.171950605019
  N      -3.140093      2.089625      4.372733
  Mo     -3.846270      3.614985      5.453103
  N      -4.601886      3.017402      7.187145
  C      -3.688953      2.591210      8.247893
  C      -2.372795      2.032384      7.699425
  N      -1.812300      2.898998      6.655809
  C      -1.025197      2.204933      5.632126
  C      -1.936073      1.360034      4.748185
  C      -1.210591      4.146233      7.141022
  C      -1.415916      5.257690      6.112718
  N      -2.813493      5.315342      5.683376
  H      -1.373913      1.063531      3.841008
  H      -2.189333      0.413307      5.266376
  H      -0.547468      2.977296      5.011973
  H      -0.220967      1.582663      6.072603
  H      -1.121110      6.215006      6.577567
  H      -0.734547      5.114561      5.251626
  H      -1.739270      4.427858      8.062644
  H      -0.137685      4.018221      7.388405
  H      -4.155329      1.793267      8.852724
  H      -3.488577      3.429295      8.947138
  H      -2.580818      1.057400      7.235734
  H      -1.653955      1.864370      8.526204
  C      -3.946735      1.368903      3.390640
  C      -4.454405      0.011344      3.917800
  C      -5.834646     -0.388353      3.352307
  C      -6.010671     -0.178247      1.872928
  N      -6.860179      0.775753      1.507731
  C      -7.020012      1.000259      0.175712
  N      -6.410987      0.396815     -0.824733
  C      -5.534979     -0.595684     -0.476871
  C      -4.849038     -1.300009     -1.497759
  C      -3.981452     -2.321338     -1.171188
  C      -3.770650     -2.683086      0.180582
  C      -4.420489     -2.009059      1.194544
  C      -5.307112     -0.944992      0.891549
  C      -3.382287      6.661028      5.594702
  C      -3.312778      7.360641      4.226882
  C      -4.249882      6.791687      3.160266
  C      -5.722480      6.885846      3.473159
  N      -6.109254      7.617831      4.510543
  C      -7.430539      7.604451      4.833186
  N      -8.399599      6.930597      4.250364
  C      -8.037246      6.210729      3.141770
  C      -9.026116      5.475835      2.445049
  C      -8.686270      4.753480      1.319563
  C      -7.354190      4.746399      0.844561
  C      -6.368923      5.442369      1.515890
  C      -6.685268      6.179817      2.682311
  C      -6.027457      2.963504      7.555364
  C      -6.789128      4.258424      7.263566
  C      -8.312469      4.151752      7.369972
  C      -9.001297      3.538934      6.171957
  N      -8.279674      2.819347      5.325325
  C      -8.898502      2.323970      4.218946
  N     -10.167464      2.454412      3.884456
  C     -10.942545      3.177041      4.749457
  C     -12.313498      3.367622      4.446665
  C     -13.116701      4.098523      5.296448
  C     -12.584961      4.662808      6.478999
  C     -11.251524      4.496589      6.794162
  C     -10.399198      3.754461      5.938613
  H      -3.368353      1.210841      2.457952
  H      -4.807685      2.001351      3.143197
  H      -4.568518      0.086901      5.011207
  H      -3.713902     -0.780037      3.731020
  H      -6.033772     -1.444167      3.600804
  H      -6.607611      0.216904      3.844839
  H      -7.744940      1.778564     -0.081575
  H      -5.036645     -1.013395     -2.533487
  H      -3.457405     -2.863607     -1.960206
  H      -3.091057     -3.502795      0.419024
  H      -4.259018     -2.297295      2.233503
  H      -4.433136      6.626983      5.907165
  H      -2.859871      7.302954      6.328531
  H      -2.280032      7.321875      3.844286
  H      -3.554339      8.422083      4.391972
  H      -4.065463      7.302212      2.197969
  H      -4.019230      5.729053      2.982895
  H      -7.706199      8.218654      5.697223
  H     -10.047275      5.495789      2.827643
  H      -9.450084      4.176750      0.794911
  H      -7.102527      4.178003     -0.052927
  H      -5.341224      5.420488      1.151717
  H      -6.102117      2.743805      8.635391
  H      -6.517028      2.134139      7.018146
  H      -6.435379      5.039808      7.955661
  H      -6.539355      4.585807      6.245571
  H      -8.616418      3.597199      8.277594
  H      -8.721872      5.165556      7.498205
  H      -8.259218      1.766742      3.525429
  H     -12.699742      2.922835      3.528461
  H     -14.171389      4.246184      5.057311
  H     -13.233814      5.237863      7.141678
  H     -10.852464      4.938204      7.707410
  N      -5.197072      4.062953      4.571970
96
Coordinates from ORCA-job orca E -6203.172326987205
  N      -3.107711      2.129974      4.324534
  Mo     -3.839960      3.624229      5.430116
  N      -4.605407      2.981997      7.142976
  C      -3.697266      2.565335      8.210585
  C      -2.368725      2.026659      7.672949
  N      -1.807648      2.908516      6.643312
  C      -1.009026      2.234191      5.615960
  C      -1.906654      1.398108      4.709516
  C      -1.215727      4.153368      7.145870
  C      -1.427766      5.275382      6.129145
  N      -2.825932      5.328495      5.701412
  H      -1.332091      1.110219      3.806671
  H      -2.168056      0.445995      5.213235
  H      -0.529925      3.018964      5.012241
  H      -0.204540      1.610306      6.053617
  H      -1.138227      6.230335      6.601977
  H      -0.745573      5.142050      5.267027
  H      -1.745452      4.420058      8.071634
  H      -0.141508      4.029393      7.390877
  H      -4.158221      1.758980      8.808541
  H      -3.514233      3.403862      8.913672
  H      -2.558893      1.051890      7.201526
  H      -1.657970      1.862600      8.507194
  C      -3.914373      1.401401      3.345791
  C      -4.447899      0.061049      3.894757
  C      -5.832287     -0.331408      3.335517
  C      -6.001250     -0.161782      1.850590
  N      -6.829938      0.799083      1.452208
  C      -6.977936      0.986744      0.113531
  N      -6.377178      0.338785     -0.864649
  C      -5.527502     -0.663340     -0.482343
  C      -4.856225     -1.415245     -1.477388
  C      -4.014446     -2.446887     -1.115487
  C      -3.816843     -2.770960      0.247304
  C      -4.453897     -2.049543      1.236485
  C      -5.312456     -0.974698      0.896639
  C      -3.404316      6.671921      5.628834
  C      -3.316367      7.396905      4.275156
  C      -4.236769      6.838046      3.189889
  C      -5.712584      6.928307      3.488820
  N      -6.109551      7.664748      4.519234
  C      -7.433696      7.650837      4.831002
  N      -8.395684      6.968317      4.245995
  C      -8.020958      6.236490      3.149442
  C      -8.999565      5.482992      2.458442
  C      -8.647131      4.745544      1.347663
  C      -7.312398      4.742673      0.881524
  C      -6.336817      5.456429      1.547803
  C      -6.665710      6.208353      2.699897
  C      -6.033817      2.913755      7.495046
  C      -6.791749      4.218445      7.240789
  C      -8.314579      4.111404      7.360647
  C      -9.016716      3.536153      6.152973
  N      -8.303110      2.844263      5.277771
  C      -8.934392      2.377267      4.166065
  N     -10.207280      2.510876      3.850231
  C     -10.974261      3.205148      4.744701
  C     -12.350587      3.394202      4.465708
  C     -13.147549      4.095361      5.347031
  C     -12.602180      4.631328      6.537105
  C     -11.262753      4.466497      6.829212
  C     -10.418059      3.753155      5.942640
  H      -3.323998      1.212833      2.426406
  H      -4.762041      2.041674      3.070861
  H      -4.561982      0.161751      4.986147
  H      -3.718714     -0.744892      3.724742
  H      -6.050203     -1.375761      3.613123
  H      -6.594042      0.300749      3.809169
  H      -7.684873      1.772609     -0.171649
  H      -5.033764     -1.156533     -2.522194
  H      -3.500989     -3.025968     -1.885005
  H      -3.158223     -3.599096      0.514162
  H      -4.304104     -2.309075      2.284606
  H      -4.459605      6.623130      5.923271
  H      -2.900125      7.302771      6.384130
  H      -2.277523      7.368951      3.906865
  H      -3.566796      8.454160      4.452961
  H      -4.042092      7.357729      2.234879
  H      -4.001749      5.778471      3.006659
  H      -7.718699      8.271154      5.688212
  H     -10.023118      5.499509      2.835346
  H      -9.402263      4.151967      0.829563
  H      -7.050712      4.162937     -0.004061
  H      -5.307034      5.435820      1.191896
  H      -6.119032      2.658022      8.566392
  H      -6.518652      2.102733      6.925688
  H      -6.430904      4.980682      7.950693
  H      -6.547182      4.570471      6.229320
  H      -8.608675      3.527282      8.253034
  H      -8.722167      5.120443      7.528488
  H      -8.300589      1.843123      3.448161
  H     -12.746276      2.972548      3.540173
  H     -14.206717      4.241977      5.127123
  H     -13.245540      5.182720      7.224576
  H     -10.854295      4.886184      7.748993
  N      -5.191298      4.070627      4.549552
96
Coordinates from ORCA-job orca E -6203.172574050098
  N      -3.087049      2.169822      4.287261
  Mo     -3.833558      3.639318      5.415625
  N      -4.603111      2.961659      7.111982
  C      -3.696600      2.558776      8.185963
  C      -2.360531      2.031198      7.655702
  N      -1.799941      2.919382      6.631663
  C      -0.998750      2.252571      5.600799
  C      -1.891313      1.430534      4.676237
  C      -1.208688      4.161725      7.142099
  C      -1.428808      5.290860      6.134298
  N      -2.829996      5.343553      5.717111
  H      -1.309711      1.150539      3.775528
  H      -2.162374      0.473689      5.165654
  H      -0.510750      3.041822      5.010409
  H      -0.200122      1.619916      6.036252
  H      -1.137010      6.244082      6.609047
  H      -0.752272      5.160868      5.267393
  H      -1.732261      4.419941      8.073759
  H      -0.132588      4.038220      7.378720
  H      -4.152331      1.749856      8.784493
  H      -3.524436      3.401688      8.886540
  H      -2.539356      1.054957      7.182743
  H      -1.654219      1.872534      8.494832
  C      -3.897417      1.442840      3.310235
  C      -4.464310      0.122396      3.874744
  C      -5.854393     -0.248264      3.316417
  C      -6.006851     -0.116985      1.826080
  N      -6.800834      0.857350      1.390787
  C      -6.930286      1.008740      0.045785
  N      -6.340586      0.313848     -0.906605
  C      -5.528467     -0.703828     -0.486050
  C      -4.873425     -1.506990     -1.451243
  C      -4.069872     -2.554436     -1.050152
  C      -3.895492     -2.843519      0.323526
  C      -4.517081     -2.071781      1.284151
  C      -5.336682     -0.980247      0.903663
  C      -3.413285      6.685340      5.660545
  C      -3.310731      7.431417      4.319569
  C      -4.215845      6.878949      3.218231
  C      -5.694912      6.961477      3.504974
  N      -6.103022      7.703325      4.527239
  C      -7.429514      7.685998      4.828578
  N      -8.383500      6.993615      4.241672
  C      -7.996248      6.251865      3.156364
  C      -8.964516      5.481689      2.468971
  C      -8.599425      4.733357      1.369638
  C      -7.262097      4.737005      0.911173
  C      -6.296355      5.466530      1.574539
  C      -6.637857      6.228709      2.716084
  C      -6.034147      2.875773      7.448045
  C      -6.796891      4.183446      7.223306
  C      -8.318796      4.067008      7.351858
  C      -9.027447      3.510165      6.139294
  N      -8.316927      2.836143      5.247492
  C      -8.954672      2.382472      4.134263
  N     -10.230622      2.512858      3.830490
  C     -10.994082      3.189939      4.741032
  C     -12.373566      3.374690      4.475850
  C     -13.167619      4.058204      5.373788
  C     -12.615257      4.581238      6.566397
  C     -11.272364      4.420810      6.845212
  C     -10.431114      3.724413      5.942191
  H      -3.297824      1.225791      2.403304
  H      -4.727300      2.096653      3.013091
  H      -4.578516      0.242690      4.964360
  H      -3.752352     -0.701467      3.718158
  H      -6.101052     -1.278516      3.620735
  H      -6.601675      0.416652      3.767984
  H      -7.605871      1.810190     -0.270585
  H      -5.032867     -1.274293     -2.505014
  H      -3.569233     -3.173104     -1.796875
  H      -3.267407     -3.684478      0.621641
  H      -4.385709     -2.304425      2.341040
  H      -4.471808      6.625239      5.940987
  H      -2.922341      7.304737      6.433944
  H      -2.267289      7.413639      3.964212
  H      -3.570007      8.484494      4.507909
  H      -4.013944      7.407443      2.269636
  H      -3.973920      5.821988      3.029627
  H      -7.724742      8.313507      5.676865
  H      -9.990219      5.493418      2.840329
  H      -9.345918      4.124908      0.856107
  H      -6.990120      4.148048      0.034925
  H      -5.264057      5.448444      1.226145
  H      -6.130123      2.586758      8.510006
  H      -6.508795      2.081259      6.848918
  H      -6.434540      4.933126      7.945786
  H      -6.558292      4.554109      6.217161
  H      -8.601881      3.462262      8.234180
  H      -8.731317      5.069345      7.545560
  H      -8.323109      1.863613      3.403860
  H     -12.774063      2.963978      3.547532
  H     -14.229470      4.200931      5.165202
  H     -13.256132      5.118990      7.266790
  H     -10.858919      4.830891      7.767092
  N      -5.188207      4.085330      4.540590
96
Coordinates from ORCA-job orca E -6203.172807425692
  N      -3.058667      2.199250      4.260164
  Mo     -3.824539      3.645842      5.404796
  N      -4.598295      2.936455      7.084770
  C      -3.694936      2.551375      8.167900
  C      -2.349766      2.035942      7.647557
  N      -1.790502      2.929574      6.627548
  C      -0.984560      2.268177      5.596695
  C      -1.871541      1.452601      4.661875
  C      -1.203329      4.172314      7.142840
  C      -1.431887      5.304678      6.139908
  N      -2.835331      5.352926      5.730433
  H      -1.281633      1.171624      3.767246
  H      -2.154076      0.496209      5.145872
  H      -0.489027      3.059333      5.015589
  H      -0.190503      1.630052      6.032562
  H      -1.140921      6.258409      6.614017
  H      -0.758913      5.176781      5.270062
  H      -1.723569      4.423681      8.078096
  H      -0.125801      4.052459      7.373984
  H      -4.145364      1.741427      8.769000
  H      -3.534996      3.400678      8.863711
  H      -2.514712      1.057276      7.174104
  H      -1.648210      1.885446      8.492300
  C      -3.866840      1.475389      3.278718
  C      -4.462312      0.170779      3.851840
  C      -5.856837     -0.181404      3.294348
  C      -5.995413     -0.088604      1.800205
  N      -6.754564      0.896662      1.329490
  C      -6.867822      1.011641     -0.020443
  N      -6.293706      0.270489     -0.946999
  C      -5.518840     -0.759990     -0.489716
  C      -4.883230     -1.612859     -1.425091
  C      -4.117748     -2.673464     -0.986023
  C      -3.963202     -2.926761      0.397156
  C      -4.566130     -2.106344      1.329106
  C      -5.346980     -1.000581      0.909388
  C      -3.423283      6.692425      5.683718
  C      -3.307156      7.454172      4.352796
  C      -4.204613      6.912493      3.239258
  C      -5.685812      6.999998      3.516896
  N      -6.096716      7.750268      4.532076
  C      -7.425252      7.741701      4.824600
  N      -8.378614      7.049632      4.236063
  C      -7.987903      6.298429      3.158694
  C      -8.954972      5.526496      2.471317
  C      -8.586198      4.769086      1.379111
  C      -7.246157      4.765446      0.928087
  C      -6.281680      5.495509      1.592021
  C      -6.626851      6.267066      2.726567
  C      -6.032813      2.830237      7.399378
  C      -6.802101      4.140766      7.210382
  C      -8.323048      4.013233      7.342812
  C      -9.038784      3.488429      6.119435
  N      -8.332601      2.847165      5.199440
  C      -8.979339      2.421763      4.080415
  N     -10.259957      2.548811      3.795341
  C     -11.018422      3.193008      4.733767
  C     -12.402447      3.372910      4.490247
  C     -13.191281      4.024235      5.416150
  C     -12.628971      4.519312      6.615732
  C     -11.281695      4.362723      6.874394
  C     -10.445686      3.698510      5.942846
  H      -3.255371      1.237307      2.385210
  H      -4.679716      2.140829      2.960778
  H      -4.576318      0.303359      4.940105
  H      -3.764748     -0.666702      3.703127
  H      -6.127580     -1.197706      3.624645
  H      -6.591066      0.512381      3.724300
  H      -7.514574      1.824063     -0.366961
  H      -5.027231     -1.407057     -2.486643
  H      -3.632527     -3.330633     -1.709761
  H      -3.365719     -3.778659      0.725493
  H      -4.450182     -2.311510      2.393493
  H      -4.484604      6.623181      5.951533
  H      -2.944061      7.303250      6.471648
  H      -2.260744      7.439152      4.007144
  H      -3.567737      8.505091      4.549849
  H      -3.993997      7.447016      2.295860
  H      -3.964245      5.855695      3.046106
  H      -7.723267      8.376990      5.665697
  H      -9.982566      5.543889      2.837271
  H      -9.331477      4.158034      0.866905
  H      -6.970728      4.167785      0.058305
  H      -5.246591      5.468409      1.251438
  H      -6.142765      2.499924      8.447873
  H      -6.493954      2.058077      6.763151
  H      -6.440122      4.873519      7.950068
  H      -6.567863      4.535528      6.212835
  H      -8.595999      3.379094      8.207727
  H      -8.740439      5.005923      7.571565
  H      -8.351051      1.932921      3.327574
  H     -12.810284      2.984879      3.555724
  H     -14.256854      4.162839      5.224583
  H     -13.265913      5.032645      7.337993
  H     -10.860522      4.751629      7.801808
  N      -5.183430      4.082794      4.532454
96
Coordinates from ORCA-job orca E -6203.173070796362
  N      -3.021320      2.236353      4.233511
  Mo     -3.803436      3.665846      5.388825
  N      -4.589500      2.929178      7.049795
  C      -3.695290      2.564194      8.147419
  C      -2.341829      2.052693      7.643545
  N      -1.776351      2.945272      6.625674
  C      -0.966504      2.280412      5.599589
  C      -1.850780      1.474587      4.654458
  C      -1.187701      4.186626      7.143615
  C      -1.416821      5.320971      6.142694
  N      -2.821882      5.371096      5.739397
  H      -1.251373      1.184752      3.769141
  H      -2.153561      0.522945      5.136218
  H      -0.455598      3.068088      5.026999
  H      -0.183337      1.631929      6.040776
  H      -1.122663      6.274549      6.615089
  H      -0.746844      5.190584      5.270956
  H      -1.705923      4.435977      8.080439
  H      -0.110017      4.065359      7.372430
  H      -4.146192      1.758361      8.753532
  H      -3.546105      3.422455      8.834484
  H      -2.496283      1.071125      7.172351
  H      -1.648328      1.909823      8.496281
  C      -3.828814      1.521608      3.244829
  C      -4.472410      0.242537      3.824001
  C      -5.873525     -0.065402      3.259382
  C      -5.984126     -0.023038      1.761039
  N      -6.678253      0.983767      1.239239
  C      -6.763379      1.050853     -0.116016
  N      -6.219231      0.242149     -1.003166
  C      -5.511729     -0.811572     -0.492923
  C      -4.912069     -1.736032     -1.383515
  C      -4.215771     -2.819996     -0.890208
  C      -4.096955     -3.026504      0.504465
  C      -4.665706     -2.136556      1.393340
  C      -5.375471     -1.005441      0.917562
  C      -3.409466      6.710168      5.701741
  C      -3.285312      7.482479      4.377992
  C      -4.183340      6.949304      3.260111
  C      -5.664358      7.039843      3.540866
  N      -6.070451      7.793563      4.555760
  C      -7.398106      7.789259      4.851811
  N      -8.354460      7.096983      4.268345
  C      -7.968760      6.342223      3.191895
  C      -8.939724      5.571342      2.508649
  C      -8.576148      4.812097      1.415735
  C      -7.237324      4.804351      0.960666
  C      -6.269102      5.532535      1.620590
  C      -6.608963      6.307151      2.755317
  C      -6.028135      2.794745      7.332930
  C      -6.813484      4.102186      7.183375
  C      -8.332342      3.950521      7.316015
  C      -9.050296      3.449515      6.083347
  N      -8.344867      2.841227      5.139841
  C      -8.998532      2.433292      4.018548
  N     -10.284706      2.545248      3.752041
  C     -11.041924      3.154721      4.714407
  C     -12.431924      3.315480      4.493010
  C     -13.219229      3.931991      5.443319
  C     -12.650044      4.409761      6.646407
  C     -11.297323      4.270161      6.884590
  C     -10.462182      3.641774      5.927465
  H      -3.204833      1.255039      2.368315
  H      -4.614835      2.206300      2.902367
  H      -4.589879      0.388155      4.910120
  H      -3.802347     -0.619040      3.686789
  H      -6.193165     -1.056176      3.622245
  H      -6.580725      0.675986      3.654382
  H      -7.357155      1.883696     -0.506133
  H      -5.027972     -1.564881     -2.454642
  H      -3.758367     -3.532193     -1.579323
  H      -3.554685     -3.897396      0.876013
  H      -4.577260     -2.305900      2.466617
  H      -4.472577      6.635934      5.961365
  H      -2.936582      7.313306      6.499903
  H      -2.238199      7.466710      4.035528
  H      -3.543896      8.532290      4.581939
  H      -3.972243      7.489490      2.319961
  H      -3.944936      5.892703      3.061270
  H      -7.692465      8.428122      5.691283
  H      -9.965868      5.591145      2.878194
  H      -9.324284      4.201736      0.907030
  H      -6.965860      4.203321      0.091159
  H      -5.234622      5.500933      1.277514
  H      -6.154760      2.415961      8.363058
  H      -6.467057      2.047877      6.653007
  H      -6.458781      4.818010      7.942890
  H      -6.585136      4.525430      6.196262
  H      -8.590448      3.286409      8.162883
  H      -8.763149      4.929095      7.576899
  H      -8.370905      1.975455      3.246208
  H     -12.845186      2.941323      3.555337
  H     -14.289493      4.055662      5.268737
  H     -13.286186      4.895936      7.387971
  H     -10.870590      4.644986      7.815071
  N      -5.161274      4.098326      4.513209
96
Coordinates from ORCA-job orca E -6203.173306275507
  N      -2.973995      2.268732      4.215257
  Mo     -3.774038      3.685307      5.374879
  N      -4.572357      2.924805      7.017892
  C      -3.689130      2.582762      8.131850
  C      -2.327721      2.073483      7.646589
  N      -1.755449      2.962851      6.628744
  C      -0.940290      2.291190      5.610357
  C      -1.821686      1.492485      4.657289
  C      -1.167145      4.204523      7.147282
  C      -1.395741      5.338976      6.146362
  N      -2.801898      5.390088      5.746523
  H      -1.212772      1.190143      3.782781
  H      -2.144902      0.548154      5.140784
  H      -0.414196      3.073514      5.043994
  H      -0.168765      1.633700      6.059714
  H      -1.100145      6.292799      6.617352
  H      -0.727197      5.206919      5.273834
  H      -1.686423      4.453303      8.083596
  H      -0.089896      4.083072      7.377109
  H      -4.142091      1.783686      8.745032
  H      -3.550198      3.451767      8.807197
  H      -2.472539      1.088608      7.179299
  H      -1.642248      1.939499      8.507216
  C      -3.779575      1.566264      3.216797
  C      -4.481405      0.318634      3.796727
  C      -5.889184      0.079193      3.219346
  C      -5.965357      0.065834      1.718812
  N      -6.564172      1.101239      1.139271
  C      -6.613538      1.116687     -0.219607
  N      -6.117958      0.230122     -1.059269
  C      -5.508042     -0.853646     -0.488936
  C      -4.964623     -1.860007     -1.326154
  C      -4.368094     -2.973094     -0.771733
  C      -4.296290     -3.128561      0.633088
  C      -4.811152     -2.159478      1.470708
  C      -5.418370     -0.996997      0.931576
  C      -3.391421      6.727870      5.716995
  C      -3.269047      7.508194      4.397761
  C      -4.173594      6.983520      3.279907
  C      -5.653664      7.075816      3.567718
  N      -6.053790      7.827882      4.586541
  C      -7.379902      7.825504      4.888357
  N      -8.340083      7.136269      4.307694
  C      -7.961319      6.385537      3.226284
  C      -8.937949      5.622733      2.541801
  C      -8.581723      4.870119      1.441657
  C      -7.244279      4.858175      0.982100
  C      -6.270612      5.578185      1.642739
  C      -6.603257      6.348344      2.783606
  C      -6.013517      2.759525      7.266636
  C      -6.818945      4.060051      7.158866
  C      -8.334747      3.878207      7.285005
  C      -9.049215      3.399891      6.041056
  N      -8.340372      2.829040      5.076382
  C      -8.996763      2.437336      3.951068
  N     -10.287646      2.529394      3.699254
  C     -11.047826      3.099594      4.683099
  C     -12.443246      3.235339      4.479776
  C     -13.232882      3.812285      5.452026
  C     -12.662006      4.273131      6.660681
  C     -11.304703      4.155747      6.882396
  C     -10.466030      3.568335      5.901907
  H      -3.144841      1.270370      2.357790
  H      -4.534117      2.272898      2.851096
  H      -4.603929      0.473805      4.880732
  H      -3.850222     -0.573352      3.669577
  H      -6.277587     -0.873783      3.615218
  H      -6.552399      0.880548      3.572226
  H      -7.127462      1.977511     -0.659534
  H      -5.043058     -1.726057     -2.405967
  H      -3.954015     -3.748000     -1.419474
  H      -3.833408     -4.022838      1.053297
  H      -4.758880     -2.290076      2.551807
  H      -4.454739      6.648371      5.974335
  H      -2.921264      7.326532      6.520497
  H      -2.223448      7.491633      4.051748
  H      -3.524194      8.557192      4.609177
  H      -3.965802      7.530287      2.342731
  H      -3.937923      5.927486      3.072980
  H      -7.669148      8.462770      5.730685
  H      -9.962451      5.644107      2.915512
  H      -9.334456      4.267253      0.930994
  H      -6.978758      4.259263      0.108502
  H      -5.237210      5.543594      1.295858
  H      -6.154993      2.329782      8.274641
  H      -6.427284      2.040964      6.542062
  H      -6.476358      4.756861      7.941174
  H      -6.595490      4.515980      6.184970
  H      -8.578005      3.183166      8.111147
  H      -8.783062      4.839857      7.576125
  H      -8.367356      2.011944      3.161849
  H     -12.858470      2.874139      3.537946
  H     -14.307209      3.916804      5.290854
  H     -13.300575      4.727983      7.419765
  H     -10.876134      4.515817      7.817636
  N      -5.129933      4.109829      4.492618
96
Coordinates from ORCA-job orca E -6203.173542205274
  N      -2.941180      2.295877      4.205561
  Mo     -3.760962      3.700306      5.368287
  N      -4.570699      2.917758      6.995087
  C      -3.699197      2.587371      8.121218
  C      -2.331951      2.081049      7.651145
  N      -1.752800      2.973520      6.639111
  C      -0.927408      2.304067      5.627822
  C      -1.800559      1.511951      4.662430
  C      -1.170665      4.214432      7.166063
  C      -1.393582      5.351744      6.167664
  N      -2.797962      5.404796      5.760712
  H      -1.180960      1.205606      3.796729
  H      -2.136299      0.570510      5.142819
  H      -0.391226      3.086651      5.071475
  H      -0.164532      1.641176      6.083948
  H      -1.100657      6.303973      6.643423
  H      -0.720473      5.222572      5.298175
  H      -1.698634      4.459182      8.098685
  H      -0.095204      4.093724      7.404632
  H      -4.156445      1.792062      8.735927
  H      -3.567880      3.461593      8.790977
  H      -2.469532      1.096559      7.181362
  H      -1.654106      1.949042      8.517879
  C      -3.734074      1.599804      3.191125
  C      -4.447038      0.352672      3.760520
  C      -5.863263      0.140173      3.194604
  C      -5.943889      0.100003      1.695083
  N      -6.505029      1.143391      1.092080
  C      -6.552509      1.129889     -0.267355
  N      -6.090312      0.206435     -1.086053
  C      -5.521127     -0.885789     -0.491024
  C      -5.016036     -1.930370     -1.304938
  C      -4.460121     -3.051545     -0.724890
  C      -4.392736     -3.176905      0.683177
  C      -4.871092     -2.170517      1.498077
  C      -5.435803     -0.999684      0.932218
  C      -3.384695      6.743961      5.727231
  C      -3.258928      7.519903      4.405807
  C      -4.163072      6.993798      3.288499
  C      -5.643434      7.091314      3.572204
  N      -6.045030      7.851291      4.584624
  C      -7.372573      7.858088      4.879570
  N      -8.333902      7.172221      4.296930
  C      -7.953677      6.414141      3.221290
  C      -8.932000      5.658480      2.531506
  C      -8.574176      4.899413      1.436588
  C      -7.232683      4.870289      0.989913
  C      -6.257753      5.583638      1.655101
  C      -6.592690      6.363678      2.788311
  C      -6.012697      2.733245      7.218267
  C      -6.825619      4.032153      7.154825
  C      -8.339390      3.836628      7.281172
  C      -9.056563      3.378810      6.032014
  N      -8.349787      2.831079      5.053120
  C      -9.010992      2.453671      3.925778
  N     -10.304325      2.536833      3.684814
  C     -11.062495      3.083340      4.683409
  C     -12.460891      3.209102      4.492700
  C     -13.248390      3.762258      5.480164
  C     -12.672893      4.208026      6.692380
  C     -11.312979      4.099493      6.902184
  C     -10.475963      3.536694      5.905762
  H      -3.089402      1.307585      2.338497
  H      -4.482639      2.309740      2.819054
  H      -4.559815      0.495967      4.846985
  H      -3.830300     -0.547049      3.616841
  H      -6.273578     -0.795360      3.609676
  H      -6.501858      0.965163      3.537599
  H      -7.033586      1.998645     -0.728269
  H      -5.090320     -1.818147     -2.387570
  H      -4.074871     -3.855959     -1.354248
  H      -3.962344     -4.077521      1.124010
  H      -4.822519     -2.278436      2.581866
  H      -4.448967      6.667484      5.981371
  H      -2.915646      7.343944      6.530043
  H      -2.212812      7.498461      4.060999
  H      -3.510541      8.570815      4.612928
  H      -3.952167      7.537204      2.350138
  H      -3.929828      5.936914      3.084817
  H      -7.662467      8.501936      5.716961
  H      -9.959364      5.691491      2.896554
  H      -9.328813      4.303661      0.920668
  H      -6.965742      4.263710      0.123139
  H      -5.221892      5.536647      1.317974
  H      -6.163259      2.259215      8.204939
  H      -6.412848      2.044485      6.457516
  H      -6.484901      4.706601      7.957010
  H      -6.607498      4.518693      6.194048
  H      -8.573829      3.120971      8.092059
  H      -8.793676      4.788320      7.594820
  H      -8.384136      2.042177      3.126861
  H     -12.879975      2.859779      3.547995
  H     -14.324987      3.859585      5.328371
  H     -13.310082      4.644340      7.463533
  H     -10.880466      4.447194      7.840362
  N      -5.112631      4.122339      4.477979
96
Coordinates from ORCA-job orca E -6203.173804718034
  N      -2.921462      2.321302      4.196266
  Mo     -3.756282      3.712185      5.366619
  N      -4.566321      2.904958      6.981526
  C      -3.700445      2.588374      8.115521
  C      -2.328990      2.087013      7.654219
  N      -1.750282      2.982922      6.644264
  C      -0.918601      2.318199      5.634748
  C      -1.786160      1.532916      4.658112
  C      -1.173842      4.224317      7.176652
  C      -1.398929      5.365024      6.183180
  N      -2.803822      5.418015      5.776214
  H      -1.160505      1.227067      3.796613
  H      -2.128407      0.591413      5.133705
  H      -0.379592      3.104171      5.085949
  H      -0.159294      1.652999      6.092665
  H      -1.107643      6.315396      6.663664
  H      -0.726187      5.241632      5.312649
  H      -1.705213      4.464233      8.108721
  H      -0.098578      4.106557      7.417700
  H      -4.157894      1.796525      8.734382
  H      -3.575683      3.468737      8.778322
  H      -2.460528      1.102024      7.183877
  H      -1.653752      1.958916      8.523442
  C      -3.704646      1.628981      3.170724
  C      -4.426950      0.380290      3.727482
  C      -5.848269      0.191523      3.164913
  C      -5.925194      0.122204      1.666457
  N      -6.445790      1.171385      1.037512
  C      -6.483572      1.131545     -0.321602
  N      -6.050642      0.174286     -1.117078
  C      -5.525726     -0.925330     -0.494894
  C      -5.055844     -2.005240     -1.282987
  C      -4.543271     -3.132759     -0.675716
  C      -4.486011     -3.228813      0.734944
  C      -4.931035     -2.188171      1.525103
  C      -5.451237     -1.011005      0.930780
  C      -3.392257      6.757087      5.742453
  C      -3.265176      7.534408      4.421123
  C      -4.164389      7.011092      3.298983
  C      -5.645746      7.105732      3.574783
  N      -6.053978      7.863797      4.585922
  C      -7.383481      7.871442      4.871360
  N      -8.341889      7.189988      4.278743
  C      -7.954622      6.432746      3.204965
  C      -8.929566      5.681728      2.505298
  C      -8.564249      4.919785      1.415143
  C      -7.218132      4.881908      0.983422
  C      -6.247022      5.593503      1.656529
  C      -6.589979      6.377779      2.784290
  C      -6.006939      2.700252      7.186431
  C      -6.824509      3.997345      7.176647
  C      -8.337266      3.792668      7.298937
  C      -9.052694      3.367899      6.038000
  N      -8.342096      2.856477      5.043162
  C      -9.000337      2.506781      3.905546
  N     -10.293722      2.587168      3.666379
  C     -11.056367      3.097130      4.680800
  C     -12.455747      3.217000      4.493232
  C     -13.248160      3.733155      5.496768
  C     -12.676529      4.146819      6.722361
  C     -11.315658      4.043577      6.929266
  C     -10.473661      3.518285      5.916607
  H      -3.051184      1.339517      2.324223
  H      -4.449305      2.339434      2.791906
  H      -4.534785      0.510861      4.816195
  H      -3.822342     -0.525125      3.569928
  H      -6.282298     -0.724823      3.597821
  H      -6.464454      1.039423      3.491909
  H      -6.927325      2.008723     -0.804321
  H      -5.121511     -1.914262     -2.368143
  H      -4.184795     -3.964419     -1.285029
  H      -4.090019     -4.134175      1.197663
  H      -4.891244     -2.274174      2.611205
  H      -4.457106      6.680520      5.995213
  H      -2.924642      7.357550      6.545133
  H      -2.218115      7.513425      4.078367
  H      -3.516895      8.585290      4.628870
  H      -3.950002      7.558267      2.363591
  H      -3.929184      5.955812      3.091903
  H      -7.678311      8.512798      5.709034
  H      -9.960512      5.720128      2.859693
  H      -9.316633      4.327920      0.891265
  H      -6.944904      4.269119      0.123251
  H      -5.208043      5.540188      1.331411
  H      -6.161048      2.179568      8.148982
  H      -6.397575      2.045872      6.391770
  H      -6.484547      4.641111      8.003877
  H      -6.610588      4.523601      6.235369
  H      -8.568518      3.052880      8.088835
  H      -8.794518      4.733681      7.640098
  H      -8.370009      2.125149      3.094960
  H     -12.871949      2.892830      3.538257
  H     -14.325434      3.826339      5.347326
  H     -13.317502      4.553841      7.506183
  H     -10.886272      4.365581      7.878108
  N      -5.108962      4.133424      4.476791
96
Coordinates from ORCA-job orca E -6203.174029951113
  N      -2.910297      2.330122      4.200386
  Mo     -3.758046      3.713275      5.371186
  N      -4.564435      2.891289      6.981433
  C      -3.702641      2.593069      8.123047
  C      -2.327655      2.094722      7.670657
  N      -1.752321      2.989168      6.657483
  C      -0.915501      2.326235      5.650771
  C      -1.778628      1.540285      4.669515
  C      -1.182294      4.234589      7.187859
  C      -1.410950      5.373851      6.193874
  N      -2.816220      5.423378      5.786306
  H      -1.149020      1.230674      3.812385
  H      -2.125492      0.600296      5.145312
  H      -0.380484      3.115121      5.101982
  H      -0.154545      1.665754      6.111414
  H      -1.122371      6.324668      6.675372
  H      -0.738677      5.253705      5.322616
  H      -1.716014      4.474797      8.118596
  H      -0.106876      4.122341      7.431030
  H      -4.159653      1.807278      8.749872
  H      -3.584371      3.482328      8.774997
  H      -2.454133      1.106585      7.205334
  H      -1.653056      1.975111      8.541495
  C      -3.676565      1.642497      3.159290
  C      -4.412986      0.392807      3.697561
  C      -5.834384      0.225489      3.125968
  C      -5.897908      0.140384      1.628079
  N      -6.377892      1.197833      0.980314
  C      -6.396802      1.144427     -0.378502
  N      -5.984436      0.164371     -1.156956
  C      -5.504112     -0.944533     -0.515141
  C      -5.060437     -2.048036     -1.284666
  C      -4.590118     -3.183820     -0.658420
  C      -4.550774     -3.263792      0.753478
  C      -4.971702     -2.200298      1.526107
  C      -5.448914     -1.015307      0.911961
  C      -3.406799      6.761381      5.743889
  C      -3.278358      7.531233      4.417992
  C      -4.172915      7.005169      3.294618
  C      -5.654676      7.097404      3.564210
  N      -6.067116      7.851339      4.576477
  C      -7.398336      7.860567      4.854271
  N      -8.355589      7.187695      4.249950
  C      -7.963264      6.432903      3.176054
  C      -8.936470      5.688817      2.466598
  C      -8.566021      4.926124      1.378990
  C      -7.216529      4.880479      0.959621
  C      -6.247485      5.586995      1.641441
  C      -6.595792      6.372547      2.766181
  C      -6.003684      2.675204      7.174977
  C      -6.819988      3.971792      7.209912
  C      -8.333394      3.767930      7.331751
  C      -9.051581      3.370901      6.063281
  N      -8.340937      2.886070      5.055764
  C      -8.998412      2.559548      3.910909
  N     -10.291721      2.642147      3.674134
  C     -11.055072      3.126642      4.700776
  C     -12.454921      3.246607      4.516743
  C     -13.249007      3.734666      5.533490
  C     -12.677748      4.120142      6.768610
  C     -11.316122      4.017126      6.972033
  C     -10.473153      3.519895      5.946570
  H      -3.007919      1.353667      2.324711
  H      -4.414140      2.353296      2.765777
  H      -4.523967      0.510296      4.787783
  H      -3.818851     -0.517560      3.529981
  H      -6.292151     -0.675567      3.565589
  H      -6.433718      1.090719      3.437750
  H      -6.803355      2.031075     -0.876700
  H      -5.111380     -1.968304     -2.371440
  H      -4.251471     -4.033694     -1.253543
  H      -4.187603     -4.174949      1.231432
  H      -4.946182     -2.273900      2.613499
  H      -4.471656      6.686625      5.997596
  H      -2.938963      7.368101      6.541239
  H      -2.230424      7.508891      4.077041
  H      -3.530073      8.583183      4.620548
  H      -3.956246      7.552597      2.359908
  H      -3.935232      5.950720      3.087951
  H      -7.696148      8.495982      5.695483
  H      -9.970258      5.732235      2.812263
  H      -9.316879      4.338975      0.847505
  H      -6.939173      4.264643      0.103647
  H      -5.206114      5.527444      1.326037
  H      -6.159145      2.119307      8.117806
  H      -6.390730      2.049912      6.356988
  H      -6.476728      4.587923      8.056769
  H      -6.609240      4.531836      6.287005
  H      -8.565904      3.013977      8.107791
  H      -8.786702      4.703780      7.693370
  H      -8.367297      2.196146      3.092385
  H     -12.871012      2.944498      3.554472
  H     -14.326605      3.827854      5.387102
  H     -13.319642      4.504590      7.562833
  H     -10.887507      4.316936      7.928687
  N      -5.113086      4.131999      4.482947
96
Coordinates from ORCA-job orca E -6203.174222012081
  N      -2.895064      2.330666      4.205916
  Mo     -3.757552      3.706520      5.373725
  N      -4.563402      2.875738      6.980321
  C      -3.707399      2.598123      8.131079
  C      -2.327797      2.102105      7.690613
  N      -1.753841      2.992287      6.673226
  C      -0.911855      2.327734      5.671858
  C      -1.769761      1.538693      4.688096
  C      -1.189321      4.242741      7.198079
  C      -1.421344      5.377553      6.199385
  N      -2.826935      5.421394      5.791729
  H      -1.135042      1.222428      3.837339
  H      -2.124109      0.601897      5.165245
  H      -0.378045      3.116591      5.121633
  H      -0.150533      1.671690      6.137669
  H      -1.135502      6.330877      6.677661
  H      -0.749191      5.256468      5.328207
  H      -1.724112      4.485820      8.127433
  H      -0.113584      4.136242      7.442426
  H      -4.164507      1.819073      8.766291
  H      -3.596772      3.497036      8.770929
  H      -2.447490      1.109453      7.232983
  H      -1.656037      1.993367      8.565048
  C      -3.644593      1.647689      3.151048
  C      -4.407520      0.406421      3.672672
  C      -5.823859      0.267802      3.080907
  C      -5.862861      0.169141      1.583277
  N      -6.297979      1.234588      0.916929
  C      -6.293199      1.169117     -0.441128
  N      -5.898448      0.168906     -1.202983
  C      -5.465367     -0.948435     -0.542148
  C      -5.043816     -2.072782     -1.293363
  C      -4.619522     -3.216358     -0.648537
  C      -4.605697     -3.283102      0.764392
  C      -5.006473     -2.199494      1.519715
  C      -5.437065     -1.006783      0.886342
  C      -3.421569      6.757022      5.739670
  C      -3.290885      7.519227      4.409460
  C      -4.182535      6.987965      3.286257
  C      -5.665162      7.083023      3.550159
  N      -6.079395      7.841142      4.558470
  C      -7.412120      7.857024      4.829425
  N      -8.369640      7.189060      4.220149
  C      -7.974880      6.428045      3.151484
  C      -8.948194      5.686227      2.439786
  C      -8.575840      4.916486      1.357816
  C      -7.224313      4.861806      0.946482
  C      -6.255151      5.566017      1.631096
  C      -6.605422      6.358547      2.750138
  C      -6.002845      2.656023      7.164438
  C      -6.815249      3.953729      7.229291
  C      -8.329372      3.754950      7.356515
  C      -9.055604      3.375817      6.087048
  N      -8.350215      2.906280      5.068817
  C      -9.013286      2.593894      3.923535
  N     -10.307550      2.679608      3.694102
  C     -11.065614      3.149861      4.731241
  C     -12.466188      3.271681      4.555878
  C     -13.255889      3.743218      5.584139
  C     -12.678577      4.110545      6.822031
  C     -11.315646      4.006219      7.016929
  C     -10.477776      3.525355      5.979944
  H      -2.958789      1.348800      2.334184
  H      -4.365489      2.363468      2.736417
  H      -4.529072      0.517639      4.762432
  H      -3.827205     -0.512871      3.504776
  H      -6.311726     -0.616146      3.522337
  H      -6.405488      1.151875      3.373403
  H      -6.662573      2.063731     -0.954169
  H      -5.074088     -2.002476     -2.381554
  H      -4.297778     -4.082201     -1.229810
  H      -4.278232     -4.199894      1.257110
  H      -5.000438     -2.262408      2.608059
  H      -4.486435      6.680919      5.992171
  H      -2.956408      7.370362      6.533606
  H      -2.242162      7.495376      4.070945
  H      -3.543063      8.572205      4.605980
  H      -3.962489      7.531021      2.349775
  H      -3.944762      5.932469      3.084907
  H      -7.711281      8.494526      5.668536
  H      -9.983592      5.736258      2.779772
  H      -9.326630      4.330291      0.825063
  H      -6.945595      4.240477      0.094876
  H      -5.212339      5.499070      1.322031
  H      -6.162313      2.076610      8.092584
  H      -6.388210      2.052762      6.330087
  H      -6.465663      4.551763      8.086740
  H      -6.607151      4.532642      6.317485
  H      -8.561489      2.993909      8.125681
  H      -8.776292      4.688470      7.732424
  H      -8.385819      2.241135      3.097803
  H     -12.886869      2.984041      3.591173
  H     -14.334279      3.837380      5.444800
  H     -13.316796      4.481836      7.625402
  H     -10.882540      4.292529      7.975774
  N      -5.113733      4.119673      4.484333
96
Coordinates from ORCA-job orca E -6203.174411017744
  N      -2.889763      2.312658      4.222155
  Mo     -3.763630      3.687503      5.380672
  N      -4.565327      2.860655      6.992914
  C      -3.713172      2.603121      8.150586
  C      -2.331226      2.106729      7.719037
  N      -1.760559      2.988677      6.693362
  C      -0.915118      2.318528      5.698956
  C      -1.769325      1.521319      4.718551
  C      -1.201853      4.246320      7.206653
  C      -1.436612      5.372498      6.198899
  N      -2.841842      5.409335      5.789264
  H      -1.131213      1.196387      3.873674
  H      -2.129206      0.588938      5.200938
  H      -0.384871      3.104927      5.141356
  H      -0.151545      1.670128      6.171773
  H      -1.154348      6.329731      6.671632
  H      -0.763529      5.248526      5.328845
  H      -1.738145      4.496260      8.133236
  H      -0.125881      4.146943      7.453036
  H      -4.170532      1.832179      8.795670
  H      -3.607300      3.511680      8.777337
  H      -2.447107      1.108777      7.272035
  H      -1.659671      2.009868      8.595028
  C      -3.615315      1.635709      3.149287
  C      -4.407253      0.403984      3.650658
  C      -5.815037      0.295015      3.032616
  C      -5.822213      0.195212      1.534556
  N      -6.213830      1.270439      0.856740
  C      -6.179963      1.201324     -0.500904
  N      -5.793852      0.189783     -1.252147
  C      -5.403728     -0.936239     -0.579665
  C      -4.992660     -2.072031     -1.319347
  C      -4.610366     -3.223961     -0.663427
  C      -4.629387     -3.287701      0.749547
  C      -5.021370     -2.193276      1.494010
  C      -5.409604     -0.992012      0.849165
  C      -3.438064      6.743123      5.721105
  C      -3.307576      7.489298      4.382132
  C      -4.201485      6.950211      3.264736
  C      -5.683838      7.055772      3.526341
  N      -6.094223      7.818937      4.532396
  C      -7.427930      7.848525      4.798407
  N      -8.390212      7.192446      4.184121
  C      -7.998837      6.425222      3.118564
  C      -8.977638      5.694346      2.403256
  C      -8.609300      4.919729      1.323349
  C      -7.256692      4.848636      0.919055
  C      -6.282108      5.540580      1.608540
  C      -6.628320      6.338735      2.724500
  C      -6.005131      2.648528      7.178710
  C      -6.807953      3.950829      7.261752
  C      -8.323237      3.763853      7.394668
  C      -9.056437      3.388654      6.127986
  N      -8.355899      2.920451      5.105784
  C      -9.023844      2.609852      3.963092
  N     -10.318736      2.701200      3.737938
  C     -11.071553      3.172010      4.778772
  C     -12.472202      3.298928      4.608924
  C     -13.257083      3.767732      5.642401
  C     -12.674412      4.127580      6.879932
  C     -11.310926      4.019173      7.069247
  C     -10.478485      3.540939      6.026999
  H      -2.908983      1.327746      2.353474
  H      -4.317003      2.356291      2.710088
  H      -4.543248      0.508821      4.739128
  H      -3.840864     -0.524456      3.484245
  H      -6.332784     -0.575554      3.465910
  H      -6.382227      1.194101      3.309533
  H      -6.514849      2.103755     -1.023552
  H      -4.996517     -2.003517     -2.408073
  H      -4.296508     -4.098377     -1.236133
  H      -4.334035     -4.210596      1.251147
  H      -5.039828     -2.253111      2.582426
  H      -4.502090      6.669851      5.976514
  H      -2.971128      7.367202      6.505884
  H      -2.259202      7.459442      4.043310
  H      -3.556560      8.545048      4.567588
  H      -3.978389      7.483348      2.323231
  H      -3.968516      5.891695      3.072737
  H      -7.723604      8.488148      5.637168
  H     -10.013817      5.756172      2.738811
  H      -9.363896      4.341809      0.787063
  H      -6.981648      4.224730      0.068518
  H      -5.238626      5.460114      1.304191
  H      -6.165764      2.058776      8.100447
  H      -6.396501      2.058680      6.337891
  H      -6.450456      4.537464      8.124186
  H      -6.599099      4.538768      6.355976
  H      -8.558669      3.007095      8.166832
  H      -8.760938      4.701507      7.771634
  H      -8.399867      2.254025      3.135726
  H     -12.897514      3.017001      3.644517
  H     -14.335656      3.865183      5.507478
  H     -13.308704      4.496139      7.687546
  H     -10.873560      4.300446      8.027659
  N      -5.121773      4.094251      4.490941
96
Coordinates from ORCA-job orca E -6203.174584112534
  N      -2.874433      2.307411      4.225436
  Mo     -3.764498      3.673817      5.379101
  N      -4.570396      2.846585      6.989498
  C      -3.726042      2.605932      8.156082
  C      -2.339042      2.111516      7.738023
  N      -1.766202      2.987827      6.709228
  C      -0.915256      2.313045      5.723194
  C      -1.762600      1.513232      4.739449
  C      -1.211612      4.250219      7.215387
  C      -1.447093      5.368910      6.198426
  N      -2.851976      5.399581      5.787551
  H      -1.117499      1.181845      3.902503
  H      -2.132853      0.584630      5.221134
  H      -0.378461      3.095407      5.166420
  H      -0.156164      1.665080      6.204003
  H      -1.166753      6.330598      6.663075
  H      -0.772521      5.237731      5.330558
  H      -1.748767      4.505148      8.140059
  H      -0.135452      4.155554      7.463011
  H      -4.184647      1.839883      8.806296
  H      -3.627598      3.521486      8.773889
  H      -2.446843      1.109075      7.298985
  H      -1.673182      2.024953      8.619491
  C      -3.586449      1.631993      3.143456
  C      -4.407873      0.414340      3.631880
  C      -5.805004      0.328586      2.987509
  C      -5.782824      0.220153      1.490190
  N      -6.132145      1.302813      0.801233
  C      -6.071223      1.230151     -0.554448
  N      -5.693362      0.207801     -1.295523
  C      -5.346031     -0.925922     -0.612358
  C      -4.946078     -2.072988     -1.340666
  C      -4.607621     -3.232696     -0.674315
  C      -4.661129     -3.293565      0.737974
  C      -5.042978     -2.188201      1.471608
  C      -5.385863     -0.978729      0.816378
  C      -3.451886      6.731081      5.707382
  C      -3.314967      7.469547      4.364573
  C      -4.208499      6.924224      3.249190
  C      -5.691378      7.041811      3.506376
  N      -6.098765      7.822314      4.500345
  C      -7.433320      7.867059      4.760966
  N      -8.398712      7.209581      4.153062
  C      -8.009849      6.421428      3.101931
  C      -8.991876      5.685022      2.396828
  C      -8.626529      4.890027      1.330498
  C      -7.273364      4.804231      0.929957
  C      -6.295712      5.500732      1.610908
  C      -6.638788      6.318885      2.713353
  C      -6.012054      2.641211      7.170022
  C      -6.805202      3.949138      7.270105
  C      -8.321159      3.773301      7.413231
  C      -9.066069      3.404788      6.151548
  N      -8.374287      2.941899      5.120859
  C      -9.052620      2.634247      3.984005
  N     -10.349612      2.723183      3.771056
  C     -11.093021      3.189750      4.820164
  C     -12.495033      3.315182      4.663475
  C     -13.271236      3.778777      5.705985
  C     -12.677668      4.135065      6.939336
  C     -11.312136      4.028489      7.115841
  C     -10.488938      3.555545      6.064143
  H      -2.864729      1.306592      2.368731
  H      -4.264911      2.359292      2.680929
  H      -4.558959      0.520031      4.718056
  H      -3.852220     -0.522183      3.473762
  H      -6.347977     -0.528645      3.416470
  H      -6.360224      1.241105      3.245727
  H      -6.373787      2.140013     -1.084646
  H      -4.923023     -2.006658     -2.429302
  H      -4.302502     -4.115672     -1.238657
  H      -4.400722     -4.222645      1.247569
  H      -5.088353     -2.245298      2.559345
  H      -4.516892      6.654540      5.957301
  H      -2.991692      7.361086      6.491732
  H      -2.265571      7.435450      4.029668
  H      -3.563015      8.526760      4.542531
  H      -3.979955      7.446062      2.302678
  H      -3.981033      5.862300      3.069630
  H      -7.726945      8.522318      5.588290
  H     -10.028127      5.758498      2.729796
  H      -9.383865      4.307145      0.803476
  H      -7.000062      4.165153      0.089383
  H      -5.252257      5.407891      1.310694
  H      -6.179943      2.038928      8.082388
  H      -6.405742      2.068011      6.319143
  H      -6.437428      4.525629      8.135078
  H      -6.596594      4.540760      6.367037
  H      -8.555126      3.016168      8.185594
  H      -8.750388      4.712074      7.797156
  H      -8.435858      2.278405      3.152004
  H     -12.928067      3.036552      3.701571
  H     -14.351352      3.874421      5.581628
  H     -13.305222      4.499638      7.754195
  H     -10.866240      4.308040      8.070813
  N      -5.121372      4.073739      4.484820
96
Coordinates from ORCA-job orca E -6203.174798925084
  N      -2.885870      2.286375      4.229318
  Mo     -3.781511      3.650039      5.378668
  N      -4.587405      2.836246      6.997376
  C      -3.744384      2.596543      8.164817
  C      -2.357191      2.101706      7.747964
  N      -1.784164      2.974146      6.716585
  C      -0.932491      2.294699      5.735418
  C      -1.777365      1.491922      4.753475
  C      -1.231408      4.239303      7.216146
  C      -1.465383      5.350960      6.191099
  N      -2.868981      5.378359      5.776842
  H      -1.129714      1.157669      3.919690
  H      -2.152470      0.565932      5.235689
  H      -0.389997      3.071758      5.177141
  H      -0.176707      1.645712      6.221012
  H      -1.186314      6.316071      6.649195
  H      -0.787904      5.212936      5.326451
  H      -1.769352      4.498750      8.139031
  H      -0.155196      4.147206      7.464877
  H      -4.203229      1.830121      8.814610
  H      -3.646001      3.511730      8.783465
  H      -2.463454      1.097784      7.312054
  H      -1.692129      2.017459      8.630385
  C      -3.584812      1.612340      3.138369
  C      -4.419998      0.399382      3.615391
  C      -5.804152      0.314582      2.944684
  C      -5.748277      0.213062      1.447211
  N      -6.080140      1.300050      0.756819
  C      -5.988330      1.235892     -0.597491
  N      -5.590264      0.219374     -1.336213
  C      -5.257009     -0.917723     -0.652134
  C      -4.833807     -2.058715     -1.377508
  C      -4.511081     -3.222268     -0.710298
  C      -4.604145     -3.294166      0.699726
  C      -5.008434     -2.194837      1.430397
  C      -5.334817     -0.980762      0.774841
  C      -3.464670      6.711203      5.682682
  C      -3.319165      7.439168      4.335119
  C      -4.216073      6.890397      3.223606
  C      -5.698179      7.030953      3.477742
  N      -6.096222      7.830757      4.460314
  C      -7.430774      7.900548      4.715830
  N      -8.404353      7.249308      4.114720
  C      -8.024962      6.439800      3.076465
  C      -9.016270      5.708753      2.379127
  C      -8.660544      4.895071      1.323373
  C      -7.307718      4.784298      0.926917
  C      -6.321135      5.474078      1.601641
  C      -6.654292      6.311265      2.692967
  C      -6.030825      2.653325      7.191123
  C      -6.806338      3.972459      7.298130
  C      -8.322789      3.813748      7.451347
  C      -9.078030      3.438217      6.198090
  N      -8.394405      2.968888      5.164497
  C      -9.082618      2.651823      4.036599
  N     -10.381812      2.738020      3.834213
  C     -11.116096      3.212657      4.885950
  C     -12.519339      3.337773      4.740479
  C     -13.286066      3.808827      5.786416
  C     -12.682136      4.172618      7.012364
  C     -11.315211      4.066614      7.178076
  C     -10.501373      3.586883      6.122074
  H      -2.850600      1.281440      2.377941
  H      -4.249135      2.342598      2.660902
  H      -4.586864      0.506220      4.698706
  H      -3.862302     -0.537914      3.467831
  H      -6.354035     -0.545283      3.359717
  H      -6.367715      1.225759      3.191555
  H      -6.281192      2.148611     -1.128353
  H      -4.780539     -1.984498     -2.464607
  H      -4.188183     -4.100271     -1.272729
  H      -4.356459     -4.226658      1.209630
  H      -5.084326     -2.259823      2.516042
  H      -4.530996      6.638119      5.927848
  H      -3.006760      7.345454      6.465282
  H      -2.269087      7.395270      4.004232
  H      -3.561163      8.499342      4.503570
  H      -3.979534      7.396357      2.270417
  H      -4.001772      5.823229      3.058834
  H      -7.716649      8.573476      5.531640
  H     -10.051816      5.801703      2.709226
  H      -9.425429      4.316868      0.802346
  H      -7.041350      4.131472      0.094316
  H      -5.278696      5.361133      1.304879
  H      -6.200202      2.053229      8.104576
  H      -6.439969      2.087981      6.342012
  H      -6.425637      4.544409      8.160281
  H      -6.594823      4.557437      6.391684
  H      -8.557599      3.065949      8.232560
  H      -8.742349      4.759246      7.829196
  H      -8.472883      2.284733      3.204559
  H     -12.960261      3.053188      3.783966
  H     -14.367379      3.903834      5.670617
  H     -13.302777      4.542972      7.830161
  H     -10.860567      4.352832      8.126830
  N      -5.136971      4.049716      4.482816
96
Coordinates from ORCA-job orca E -6203.175022686490
  N      -2.893007      2.268627      4.237882
  Mo     -3.794893      3.632418      5.381842
  N      -4.601384      2.830484      7.007227
  C      -3.759723      2.594911      8.176660
  C      -2.372509      2.098556      7.762692
  N      -1.798564      2.965520      6.726594
  C      -0.945733      2.278547      5.751255
  C      -1.789478      1.473072      4.771335
  C      -1.247644      4.233939      7.219424
  C      -1.479903      5.338487      6.186992
  N      -2.882466      5.363322      5.768827
  H      -1.139326      1.132612      3.942054
  H      -2.170047      0.552021      5.258252
  H      -0.397179      3.050139      5.191423
  H      -0.194596      1.627722      6.242297
  H      -1.202378      6.306673      6.639493
  H      -0.799698      5.195110      5.325306
  H      -1.788558      4.497778      8.139351
  H      -0.172007      4.144097      7.471367
  H      -4.219232      1.830338      8.828040
  H      -3.661169      3.511471      8.793443
  H      -2.478014      1.092852      7.330941
  H      -1.707829      2.017885      8.645761
  C      -3.580561      1.599456      3.135931
  C      -4.430078      0.389746      3.595284
  C      -5.800355      0.317682      2.895917
  C      -5.709225      0.217866      1.399777
  N      -6.011667      1.310801      0.705916
  C      -5.886332      1.252425     -0.645790
  N      -5.479433      0.235385     -1.378951
  C      -5.174457     -0.907996     -0.691499
  C      -4.741984     -2.049951     -1.410602
  C      -4.447779     -3.219104     -0.740304
  C      -4.579281     -3.296591      0.666629
  C      -4.992700     -2.196933      1.391331
  C      -5.290501     -0.976982      0.732816
  C      -3.474978      6.696939      5.659020
  C      -3.324722      7.410657      4.303882
  C      -4.226118      6.857039      3.198070
  C      -5.706801      7.015562      3.449567
  N      -6.097657      7.833518      4.420152
  C      -7.431449      7.921569      4.672465
  N      -8.411197      7.271937      4.079929
  C      -8.039668      6.443998      3.053557
  C      -9.038240      5.716547      2.362917
  C      -8.690290      4.884422      1.318963
  C      -7.337605      4.748882      0.928485
  C      -6.344318      5.436487      1.595956
  C      -6.669679      6.294043      2.674438
  C      -6.044866      2.661111      7.208505
  C      -6.806392      3.988412      7.328604
  C      -8.322933      3.843219      7.487973
  C      -9.086932      3.468270      6.239992
  N      -8.410591      3.001963      5.200380
  C      -9.107303      2.682640      4.078703
  N     -10.408069      2.767030      3.886387
  C     -11.134949      3.239976      4.943905
  C     -12.539558      3.362804      4.809275
  C     -13.298488      3.832315      5.861013
  C     -12.686213      4.195915      7.082908
  C     -11.318146      4.091206      7.238427
  C     -10.511305      3.613686      6.175480
  H      -2.837310      1.268546      2.384534
  H      -4.233152      2.335052      2.651715
  H      -4.617157      0.492888      4.675690
  H      -3.874867     -0.550178      3.455596
  H      -6.365505     -0.538546      3.297900
  H      -6.362407      1.232929      3.129285
  H      -6.156334      2.171181     -1.178716
  H      -4.658724     -1.971520     -2.495499
  H      -4.117398     -4.097409     -1.297922
  H      -4.353999     -4.233607      1.178559
  H      -5.098476     -2.266173      2.474352
  H      -4.542766      6.627693      5.900362
  H      -3.019123      7.337868      6.437041
  H      -2.274980      7.355832      3.973799
  H      -3.559743      8.473981      4.461480
  H      -3.984505      7.348506      2.238587
  H      -4.023012      5.785740      3.046878
  H      -7.710824      8.610099      5.477438
  H     -10.073371      5.828248      2.688157
  H      -9.462132      4.311268      0.802466
  H      -7.076541      4.078319      0.107840
  H      -5.302752      5.306104      1.304086
  H      -6.215509      2.055597      8.118150
  H      -6.464143      2.108520      6.356272
  H      -6.415142      4.551207      8.191617
  H      -6.593282      4.574301      6.422438
  H      -8.559247      3.099597      8.272722
  H      -8.734480      4.793269      7.863303
  H      -8.503228      2.318712      3.241387
  H     -12.986794      3.077485      3.855861
  H     -14.380671      3.926180      5.752987
  H     -13.301284      4.564933      7.905392
  H     -10.856217      4.376212      8.183960
  N      -5.148067      4.029860      4.481865
96
Coordinates from ORCA-job orca E -6203.175281741805
  N      -2.903148      2.256420      4.242392
  Mo     -3.811382      3.617554      5.386149
  N      -4.618007      2.825488      7.016859
  C      -3.775365      2.592585      8.186783
  C      -2.388321      2.095975      7.774149
  N      -1.813790      2.957868      6.732976
  C      -0.960687      2.263244      5.761714
  C      -1.804992      1.458275      4.781649
  C      -1.264309      4.228816      7.220968
  C      -1.496159      5.328029      6.184191
  N      -2.897960      5.350572      5.762722
  H      -1.152701      1.112051      3.956592
  H      -2.190630      0.542250      5.273782
  H      -0.405848      3.030863      5.202647
  H      -0.215132      1.608327      6.255937
  H      -1.220609      6.298590      6.632940
  H      -0.813925      5.181918      5.324541
  H      -1.808599      4.494658      8.138453
  H      -0.189414      4.140404      7.476032
  H      -4.233536      1.827609      8.838430
  H      -3.677661      3.509191      8.803846
  H      -2.493232      1.088673      7.346124
  H      -1.723223      2.018688      8.657159
  C      -3.580740      1.595673      3.127012
  C      -4.444828      0.391767      3.573308
  C      -5.801234      0.325348      2.845596
  C      -5.678220      0.226808      1.351437
  N      -5.959013      1.321668      0.651526
  C      -5.802486      1.262911     -0.697552
  N      -5.385760      0.243336     -1.421316
  C      -5.103552     -0.901941     -0.727357
  C      -4.662506     -2.047262     -1.436248
  C      -4.390429     -3.217720     -0.759170
  C      -4.552830     -3.293473      0.644665
  C      -4.974836     -2.191061      1.359496
  C      -5.251201     -0.970095      0.693783
  C      -3.484519      6.685875      5.638265
  C      -3.320645      7.386186      4.277593
  C      -4.223383      6.830540      3.174992
  C      -5.701734      7.009492      3.421407
  N      -6.084645      7.849549      4.376256
  C      -7.416887      7.955820      4.626529
  N      -8.403230      7.304337      4.047005
  C      -8.040319      6.454841      3.035482
  C      -9.045837      5.726342      2.355979
  C      -8.705493      4.869744      1.329906
  C      -7.353880      4.707691      0.946164
  C      -6.354430      5.398816      1.600092
  C      -6.671667      6.282775      2.660040
  C      -6.060487      2.668494      7.226782
  C      -6.809546      4.003270      7.352024
  C      -8.325608      3.866883      7.515878
  C      -9.098108      3.488889      6.273633
  N      -8.429702      3.029253      5.226076
  C      -9.135280      2.707708      4.110358
  N     -10.438183      2.786995      3.930760
  C     -11.157580      3.255352      4.996046
  C     -12.564438      3.373712      4.874756
  C     -13.314406      3.840323      5.933535
  C     -12.692349      4.204691      7.150328
  C     -11.323062      4.103099      7.293296
  C     -10.523880      3.628933      6.222305
  H      -2.832218      1.265962      2.380555
  H      -4.223183      2.339252      2.639905
  H      -4.655338      0.500464      4.649417
  H      -3.893594     -0.552361      3.449307
  H      -6.376369     -0.530400      3.234162
  H      -6.365272      1.241069      3.067240
  H      -6.053202      2.183300     -1.236379
  H      -4.555187     -1.970035     -2.519038
  H      -4.052951     -4.098303     -1.308646
  H      -4.344749     -4.231538      1.161597
  H      -5.105272     -2.259250      2.440085
  H      -4.555643      6.622299      5.868561
  H      -3.034781      7.330404      6.415950
  H      -2.270289      7.316989      3.952031
  H      -3.545754      8.453045      4.423893
  H      -3.974175      7.307855      2.210415
  H      -4.033226      5.755367      3.036931
  H      -7.688701      8.662584      5.418129
  H     -10.080339      5.858225      2.675368
  H      -9.484041      4.298365      0.821323
  H      -7.098273      4.011890      0.145984
  H      -5.313843      5.250472      1.313720
  H      -6.230850      2.061571      8.135479
  H      -6.489325      2.125000      6.374419
  H      -6.409532      4.562136      8.212989
  H      -6.595669      4.586622      6.443371
  H      -8.562234      3.127641      8.304671
  H      -8.732559      4.821464      7.885382
  H      -8.537047      2.353198      3.264126
  H     -13.019422      3.086853      3.925474
  H     -14.397446      3.932016      5.834974
  H     -13.300944      4.571339      7.978269
  H     -10.852644      4.386303      8.235210
  N      -5.161666      4.011803      4.480871
96
Coordinates from ORCA-job orca E -6203.175546976595
  N      -2.913533      2.244814      4.253145
  Mo     -3.826702      3.604274      5.396492
  N      -4.630568      2.820194      7.032866
  C      -3.785459      2.594655      8.202543
  C      -2.399025      2.096464      7.791149
  N      -1.826316      2.951692      6.742834
  C      -0.973261      2.250483      5.775564
  C      -1.818642      1.445170      4.795512
  C      -1.277831      4.226536      7.222865
  C      -1.510717      5.319385      6.180142
  N      -2.912805      5.339474      5.758772
  H      -1.165363      1.094230      3.973426
  H      -2.206781      0.532462      5.292150
  H      -0.414881      3.015351      5.216201
  H      -0.231867      1.594035      6.273295
  H      -1.235493      6.292717      6.623157
  H      -0.829158      5.168998      5.320592
  H      -1.823634      4.496874      8.138235
  H      -0.203244      4.140377      7.479550
  H      -4.241962      1.832384      8.858709
  H      -3.688074      3.514262      8.815073
  H      -2.504113      1.086334      7.369769
  H      -1.732011      2.025333      8.673104
  C      -3.584416      1.592865      3.128186
  C      -4.459820      0.391440      3.555223
  C      -5.799815      0.334754      2.795241
  C      -5.640470      0.239852      1.304418
  N      -5.886769      1.342348      0.603146
  C      -5.693240      1.289349     -0.741203
  N      -5.272733      0.267038     -1.458927
  C      -5.027581     -0.886449     -0.764109
  C      -4.586395     -2.034941     -1.467361
  C      -4.349211     -3.212740     -0.789688
  C      -4.547609     -3.292529      0.609132
  C      -4.971081     -2.187399      1.318717
  C      -5.212716     -0.959779      0.652339
  C      -3.496199      6.674605      5.616928
  C      -3.324231      7.359083      4.248549
  C      -4.228988      6.799091      3.149856
  C      -5.706514      6.991527      3.390200
  N      -6.085406      7.850058      4.330109
  C      -7.416944      7.969260      4.576872
  N      -8.407124      7.315021      4.006679
  C      -8.048582      6.446557      3.010016
  C      -9.058170      5.714104      2.340490
  C      -8.722259      4.836800      1.330907
  C      -7.371223      4.655715      0.953725
  C      -6.368224      5.351942      1.597177
  C      -6.680627      6.258032      2.639843
  C      -6.072474      2.671264      7.249339
  C      -6.809638      4.012216      7.382467
  C      -8.326089      3.889280      7.551932
  C      -9.106165      3.513461      6.313781
  N      -8.444375      3.058895      5.260547
  C      -9.156155      2.740313      4.147953
  N     -10.459956      2.817458      3.976966
  C     -11.173305      3.281514      5.048236
  C     -12.581131      3.398328      4.935721
  C     -13.325206      3.861257      6.000237
  C     -12.696111      4.223247      7.214400
  C     -11.325965      4.122431      7.348818
  C     -10.532632      3.652018      6.271772
  H      -2.831824      1.266483      2.384703
  H      -4.219838      2.342973      2.642180
  H      -4.695663      0.499728      4.626206
  H      -3.911324     -0.555646      3.442246
  H      -6.389100     -0.518514      3.167063
  H      -6.362637      1.253677      3.005774
  H      -5.912988      2.217647     -1.280426
  H      -4.450622     -1.954129     -2.546693
  H      -4.011215     -4.095819     -1.334683
  H      -4.366275     -4.236024      1.126126
  H      -5.129588     -2.258736      2.395318
  H      -4.568879      6.615462      5.840859
  H      -3.050292      7.326602      6.390124
  H      -2.273986      7.277542      3.925036
  H      -3.541129      8.429150      4.383175
  H      -3.974306      7.264493      2.180980
  H      -4.047177      5.721267      3.023201
  H      -7.684719      8.690359      5.356900
  H     -10.092452      5.860286      2.654655
  H      -9.504949      4.263858      0.830119
  H      -7.118658      3.938780      0.171679
  H      -5.328175      5.191233      1.316454
  H      -6.242851      2.061518      8.156136
  H      -6.509439      2.135737      6.396361
  H      -6.400352      4.565260      8.242762
  H      -6.594916      4.595952      6.474156
  H      -8.567154      3.155297      8.344165
  H      -8.724389      4.849515      7.916875
  H      -8.563196      2.388034      3.297152
  H     -13.041175      3.112865      3.988401
  H     -14.408852      3.952328      5.908386
  H     -13.300185      4.587095      8.046768
  H     -10.849567      4.402694      8.288735
  N      -5.176437      3.994473      4.488774
96
Coordinates from ORCA-job orca E -6203.175848371645
  N      -2.929898      2.245931      4.261170
  Mo     -3.841496      3.603496      5.411303
  N      -4.640831      2.820972      7.049996
  C      -3.788901      2.599592      8.215502
  C      -2.404914      2.098274      7.800726
  N      -1.835579      2.947646      6.745784
  C      -0.985821      2.242816      5.777960
  C      -1.838006      1.441042      4.797906
  C      -1.284399      4.224319      7.220241
  C      -1.518651      5.315754      6.176724
  N      -2.922213      5.337675      5.759613
  H      -1.187896      1.085441      3.975663
  H      -2.226211      0.530082      5.298996
  H      -0.428970      3.008629      5.218129
  H      -0.246173      1.585457      6.274962
  H      -1.240686      6.289273      6.617823
  H      -0.841793      5.164316      5.313510
  H      -1.828906      4.498212      8.135420
  H      -0.209895      4.137086      7.476194
  H      -4.242336      1.839296      8.876665
  H      -3.690865      3.521517      8.823967
  H      -2.513922      1.085820      7.385481
  H      -1.733289      2.031598      8.679302
  C      -3.603302      1.608812      3.130383
  C      -4.488199      0.411571      3.542998
  C      -5.811670      0.358553      2.750677
  C      -5.616991      0.266076      1.264615
  N      -5.824218      1.374084      0.557940
  C      -5.592093      1.316806     -0.780849
  N      -5.174683      0.285106     -1.486780
  C      -4.973542     -0.873325     -0.786884
  C      -4.541720     -2.030900     -1.479431
  C      -4.343719     -3.213100     -0.796200
  C      -4.573081     -3.286534      0.597674
  C      -4.990153     -2.172224      1.297031
  C      -5.193340     -0.941661      0.624374
  C      -3.498145      6.673366      5.601786
  C      -3.311045      7.342507      4.227664
  C      -4.214448      6.779903      3.129776
  C      -5.692054      6.983343      3.360736
  N      -6.068729      7.860774      4.283865
  C      -7.399903      7.990897      4.526645
  N      -8.392881      7.332647      3.965146
  C      -8.036282      6.444459      2.985521
  C      -9.048473      5.703576      2.328481
  C      -8.714565      4.803518      1.339006
  C      -7.364501      4.607624      0.968450
  C      -6.359552      5.313067      1.598605
  C      -6.668874      6.241784      2.621265
  C      -6.082245      2.673473      7.271014
  C      -6.816187      4.015023      7.403764
  C      -8.332645      3.895659      7.578177
  C      -9.115987      3.519584      6.341902
  N      -8.456988      3.075173      5.283545
  C      -9.171071      2.759783      4.170987
  N     -10.476059      2.829197      4.006697
  C     -11.187565      3.281605      5.084806
  C     -12.596996      3.389505      4.980313
  C     -13.339160      3.841042      6.051716
  C     -12.705630      4.200687      7.264572
  C     -11.334122      4.108324      7.390870
  C     -10.543612      3.649404      6.307559
  H      -2.854318      1.286183      2.381898
  H      -4.237262      2.366615      2.653254
  H      -4.751220      0.528361      4.606685
  H      -3.944560     -0.540257      3.446250
  H      -6.412885     -0.493424      3.104638
  H      -6.374467      1.279829      2.953604
  H      -5.773584      2.249699     -1.326215
  H      -4.380736     -1.953723     -2.555628
  H      -4.012671     -4.103930     -1.332644
  H      -4.420889     -4.232745      1.119043
  H      -5.172284     -2.238810      2.369988
  H      -4.572632      6.622298      5.816214
  H      -3.056003      7.330757      6.372542
  H      -2.260295      7.246617      3.909053
  H      -3.517219      8.416219      4.350482
  H      -3.952201      7.237017      2.159015
  H      -4.038377      5.700356      3.010885
  H      -7.665227      8.725591      5.294777
  H     -10.082889      5.861064      2.637588
  H      -9.498689      4.223197      0.848997
  H      -7.114153      3.867857      0.208634
  H      -5.319495      5.143183      1.322821
  H      -6.249314      2.065714      8.179713
  H      -6.523675      2.135682      6.421464
  H      -6.403078      4.569998      8.261474
  H      -6.604185      4.599517      6.496110
  H      -8.577091      3.166473      8.373418
  H      -8.727478      4.859967      7.937189
  H      -8.580142      2.415850      3.314799
  H     -13.060891      3.106426      4.034258
  H     -14.423957      3.925393      5.966589
  H     -13.307860      4.555733      8.102184
  H     -10.854165      4.386534      8.329841
  N      -5.191327      3.992544      4.503070
96
Coordinates from ORCA-job orca E -6203.176135177223
  N      -2.949123      2.241983      4.267004
  Mo     -3.859409      3.596167      5.422301
  N      -4.653262      2.816269      7.065116
  C      -3.796678      2.597507      8.227410
  C      -2.414734      2.094268      7.808231
  N      -1.849185      2.940040      6.748896
  C      -1.003262      2.232752      5.780134
  C      -1.860047      1.432547      4.802392
  C      -1.295551      4.217875      7.217898
  C      -1.531593      5.307129      6.172114
  N      -2.936364      5.329629      5.759339
  H      -1.212616      1.074055      3.979287
  H      -2.250190      0.522702      5.304112
  H      -0.446462      2.996832      5.218063
  H      -0.264141      1.574710      6.276792
  H      -1.250976      6.281435      6.609800
  H      -0.858130      5.152442      5.306772
  H      -1.836591      4.495236      8.134046
  H      -0.220290      4.130443      7.470696
  H      -4.247621      1.838644      8.892201
  H      -3.696699      3.520841      8.833352
  H      -2.526034      1.080400      7.397059
  H      -1.739738      2.030051      8.684452
  C      -3.619565      1.615464      3.129763
  C      -4.514568      0.420982      3.526136
  C      -5.819612      0.367465      2.702965
  C      -5.588396      0.278481      1.222067
  N      -5.770369      1.389946      0.513897
  C      -5.506541      1.334938     -0.818792
  N      -5.080401      0.302111     -1.517900
  C      -4.904473     -0.859788     -0.817045
  C      -4.465350     -2.018415     -1.502879
  C      -4.291411     -3.203940     -0.818648
  C      -4.552771     -3.279418      0.569441
  C      -4.978395     -2.164066      1.262302
  C      -5.157919     -0.930430      0.588624
  C      -3.507590      6.665054      5.585976
  C      -3.309455      7.320173      4.206534
  C      -4.211740      6.751227      3.110485
  C      -5.689477      6.966365      3.332872
  N      -6.063580      7.862432      4.238994
  C      -7.394902      8.006639      4.473734
  N      -8.390265      7.345515      3.919732
  C      -8.035769      6.436086      2.959045
  C      -9.050604      5.688361      2.313815
  C      -8.719196      4.766669      1.343322
  C      -7.368980      4.555884      0.980531
  C      -6.361859      5.267503      1.600382
  C      -6.668452      6.217708      2.603631
  C      -6.094411      2.675379      7.294246
  C      -6.819726      4.020944      7.430805
  C      -8.336317      3.913489      7.613849
  C      -9.126916      3.537672      6.382037
  N      -8.473282      3.094302      5.320199
  C      -9.192863      2.780259      4.211092
  N     -10.498234      2.851439      4.052260
  C     -11.204094      3.303091      5.134032
  C     -12.613377      3.412641      5.035516
  C     -13.350851      3.862782      6.111057
  C     -12.711617      4.219765      7.321773
  C     -11.339417      4.126222      7.442039
  C     -10.554571      3.668275      6.354689
  H      -2.867173      1.291952      2.384835
  H      -4.245844      2.378997      2.652048
  H      -4.800532      0.541140      4.583318
  H      -3.970543     -0.532086      3.442592
  H      -6.428751     -0.485300      3.040697
  H      -6.387121      1.288744      2.894543
  H      -5.669080      2.270866     -1.364986
  H      -4.279053     -1.939411     -2.574881
  H      -3.954760     -4.095768     -1.350005
  H      -4.418501     -4.227997      1.091542
  H      -5.184586     -2.232035      2.330790
  H      -4.583256      6.618389      5.794454
  H      -3.068334      7.328768      6.353371
  H      -2.257998      7.214572      3.893631
  H      -3.509525      8.396336      4.317457
  H      -3.942696      7.196876      2.136199
  H      -4.040945      5.669581      3.003298
  H      -7.658381      8.757144      5.227065
  H     -10.084900      5.857839      2.617011
  H      -9.505373      4.180569      0.863419
  H      -7.119858      3.798693      0.237176
  H      -5.322007      5.085777      1.331541
  H      -6.259934      2.069195      8.204348
  H      -6.543152      2.138739      6.447716
  H      -6.398541      4.573745      8.286151
  H      -6.608548      4.603985      6.522378
  H      -8.583481      3.191130      8.414271
  H      -8.722306      4.882782      7.969364
  H      -8.606457      2.434550      3.353270
  H     -13.081397      3.132299      4.090651
  H     -14.436062      3.948016      6.031039
  H     -13.310063      4.574011      8.162617
  H     -10.854979      4.403636      8.378961
  N      -5.211152      3.986322      4.517522
96
Coordinates from ORCA-job orca E -6203.176436877423
  N      -2.987156      2.256850      4.267916
  Mo     -3.876021      3.613822      5.435078
  N      -4.662279      2.830469      7.078994
  C      -3.797543      2.605330      8.233383
  C      -2.423206      2.091760      7.799766
  N      -1.861509      2.934621      6.738376
  C      -1.029332      2.225034      5.761800
  C      -1.901305      1.434277      4.789798
  C      -1.293087      4.206786      7.204287
  C      -1.526207      5.301262      6.161993
  N      -2.933771      5.337504      5.761626
  H      -1.265327      1.075315      3.957512
  H      -2.293663      0.522203      5.285542
  H      -0.472338      2.984867      5.194578
  H      -0.290330      1.562750      6.253589
  H      -1.232337      6.271408      6.600245
  H      -0.862251      5.141738      5.290204
  H      -1.821492      4.489856      8.125788
  H      -0.216088      4.109573      7.446783
  H      -4.247550      1.849982      8.903013
  H      -3.686586      3.528680      8.837221
  H      -2.546689      1.078955      7.389656
  H      -1.741483      2.021671      8.670650
  C      -3.667429      1.651170      3.128605
  C      -4.569142      0.457436      3.512398
  C      -5.855751      0.390785      2.662042
  C      -5.587464      0.297820      1.187940
  N      -5.743813      1.405186      0.467926
  C      -5.451280      1.335772     -0.858541
  N      -5.017864      0.294504     -1.540337
  C      -4.864668     -0.862428     -0.827070
  C      -4.418231     -2.028895     -1.494579
  C      -4.266919     -3.209978     -0.797523
  C      -4.558691     -3.272628      0.585253
  C      -4.993157     -2.149052      1.260122
  C      -5.150690     -0.919073      0.573224
  C      -3.488657      6.676921      5.577378
  C      -3.274549      7.320465      4.195893
  C      -4.176190      6.748063      3.100123
  C      -5.653991      6.975687      3.317475
  N      -6.021236      7.887760      4.210323
  C      -7.352361      8.047775      4.439989
  N      -8.351973      7.386424      3.894323
  C      -8.002954      6.456459      2.951120
  C      -9.023196      5.701762      2.323013
  C      -8.697688      4.759956      1.368872
  C      -7.348775      4.539591      1.006661
  C      -6.336889      5.256373      1.611844
  C      -6.637023      6.223835      2.599431
  C      -6.103717      2.687286      7.313102
  C      -6.837767      4.026768      7.443205
  C      -8.353617      3.911033      7.633129
  C      -9.142948      3.519816      6.404855
  N      -8.485682      3.071876      5.346348
  C      -9.204138      2.745539      4.240276
  N     -10.510516      2.809669      4.080056
  C     -11.218556      3.263779      5.159195
  C     -12.627838      3.364467      5.061409
  C     -13.367874      3.814705      6.135981
  C     -12.729753      4.181833      7.343762
  C     -11.356297      4.098789      7.463253
  C     -10.570919      3.640152      6.377747
  H      -2.918653      1.326203      2.379562
  H      -4.290120      2.421937      2.657630
  H      -4.873667      0.584979      4.562849
  H      -4.020106     -0.494333      3.442666
  H      -6.467930     -0.464056      2.988401
  H      -6.432612      1.310167      2.840664
  H      -5.597315      2.266647     -1.417357
  H      -4.207561     -1.959333     -2.562762
  H      -3.925322     -4.108247     -1.315056
  H      -4.440889     -4.217590      1.118208
  H      -5.221016     -2.207330      2.324671
  H      -4.564723      6.643302      5.783891
  H      -3.043609      7.341828      6.342129
  H      -2.222171      7.203842      3.891215
  H      -3.465226      8.399465      4.295410
  H      -3.900834      7.186673      2.124154
  H      -4.008387      5.665048      2.999589
  H      -7.611900      8.812816      5.179884
  H     -10.055798      5.880230      2.626446
  H      -9.485192      4.164208      0.903994
  H      -7.103522      3.770671      0.273394
  H      -5.298517      5.063005      1.343208
  H      -6.263904      2.088224      8.229052
  H      -6.551420      2.137400      6.473641
  H      -6.420068      4.588937      8.294817
  H      -6.632650      4.608195      6.533170
  H      -8.595714      3.196909      8.442120
  H      -8.742644      4.881168      7.982802
  H      -8.615134      2.391100      3.388103
  H     -13.096564      3.078658      4.118613
  H     -14.454080      3.891096      6.057564
  H     -13.329842      4.536301      8.183804
  H     -10.873547      4.387976      8.397324
  N      -5.232916      4.017003      4.543629
96
Coordinates from ORCA-job orca E -6203.176745424203
  N      -3.005296      2.253308      4.275617
  Mo     -3.889905      3.609597      5.446483
  N      -4.670118      2.829768      7.095632
  C      -3.800828      2.603766      8.246902
  C      -2.429039      2.088446      7.806841
  N      -1.871086      2.929291      6.741391
  C      -1.044802      2.215567      5.762124
  C      -1.923244      1.425290      4.796769
  C      -1.299347      4.201512      7.202907
  C      -1.534037      5.294524      6.159675
  N      -2.942398      5.331889      5.762465
  H      -1.291824      1.060950      3.963455
  H      -2.319098      0.517064      5.296450
  H      -0.488377      2.971823      5.189761
  H      -0.305111      1.552141      6.251946
  H      -1.238368      6.264921      6.596348
  H      -0.871913      5.133398      5.286805
  H      -1.824501      4.486366      8.125644
  H      -0.221693      4.103509      7.441991
  H      -4.248848      1.849134      8.918482
  H      -3.685484      3.526830      8.850498
  H      -2.555541      1.075584      7.397993
  H      -1.743539      2.017827      8.674859
  C      -3.683883      1.659293      3.129775
  C      -4.602109      0.473937      3.498571
  C      -5.867138      0.416506      2.616391
  C      -5.561518      0.319347      1.149594
  N      -5.685735      1.429575      0.428944
  C      -5.363615      1.361160     -0.890064
  N      -4.927187      0.316745     -1.564920
  C      -4.803420     -0.843869     -0.850756
  C      -4.353387     -2.013936     -1.510413
  C      -4.231596     -3.197948     -0.812823
  C      -4.557188     -3.260685      0.562680
  C      -4.995702     -2.134315      1.229950
  C      -5.123804     -0.900936      0.542547
  C      -3.493069      6.670969      5.562949
  C      -3.273491      7.298819      4.174601
  C      -4.175286      6.718584      3.082010
  C      -5.652798      6.957568      3.289540
  N      -6.019341      7.890213      4.161252
  C      -7.350685      8.062668      4.379518
  N      -8.350988      7.395152      3.842910
  C      -8.002651      6.443481      2.921379
  C      -9.023845      5.681899      2.303310
  C      -8.698967      4.717781      1.371039
  C      -7.348802      4.480552      1.021389
  C      -6.336335      5.205140      1.616766
  C      -6.636173      6.196035      2.581947
  C      -6.110383      2.689193      7.338137
  C      -6.840870      4.030927      7.472016
  C      -8.356446      3.921944      7.665315
  C      -9.150566      3.533048      6.439332
  N      -8.497049      3.090870      5.375932
  C      -9.220069      2.767826      4.272292
  N     -10.526827      2.832074      4.117287
  C     -11.230911      3.280417      5.201054
  C     -12.640225      3.380652      5.108570
  C     -13.376458      3.825339      6.187608
  C     -12.734725      4.186478      7.395160
  C     -11.360865      4.103405      7.509761
  C     -10.578916      3.651040      6.418811
  H      -2.933858      1.330361      2.383629
  H      -4.294499      2.438861      2.659339
  H      -4.930682      0.607136      4.541154
  H      -4.057824     -0.481556      3.445622
  H      -6.494347     -0.432676      2.929049
  H      -6.440840      1.341048      2.777610
  H      -5.486035      2.296215     -1.447790
  H      -4.116082     -1.944350     -2.572968
  H      -3.887214     -4.098602     -1.324383
  H      -4.462269     -4.207985      1.096022
  H      -5.249321     -2.192863      2.288777
  H      -4.570074      6.640879      5.766388
  H      -3.049040      7.343041      6.322111
  H      -2.221140      7.173506      3.873935
  H      -3.459163      8.379605      4.261739
  H      -3.893694      7.144089      2.101907
  H      -4.013337      5.633435      2.995163
  H      -7.609901      8.845387      5.100647
  H     -10.056942      5.873627      2.596463
  H      -9.488305      4.117951      0.914244
  H      -7.102307      3.692255      0.307864
  H      -5.297816      4.999224      1.358560
  H      -6.267282      2.090662      8.255013
  H      -6.562588      2.139977      6.500871
  H      -6.418784      4.589880      8.323271
  H      -6.636290      4.612026      6.561325
  H      -8.599085      3.210446      8.476465
  H      -8.740626      4.894221      8.014244
  H      -8.634322      2.419445      3.416186
  H     -13.111484      3.098936      4.165807
  H     -14.462879      3.901663      6.113017
  H     -13.332167      4.536466      8.238942
  H     -10.875027      4.387851      8.443559
  N      -5.248654      4.015602      4.559267
96
Coordinates from ORCA-job orca E -6203.177068482180
  N      -3.042431      2.259313      4.268607
  Mo     -3.912749      3.611374      5.454517
  N      -4.680228      2.827027      7.108765
  C      -3.801976      2.586995      8.251329
  C      -2.435821      2.071572      7.794181
  N      -1.884705      2.919309      6.729087
  C      -1.070182      2.206956      5.737340
  C      -1.958826      1.424460      4.776965
  C      -1.306006      4.186418      7.194320
  C      -1.544379      5.285607      6.159579
  N      -2.954206      5.328765      5.768591
  H      -1.335801      1.063511      3.936047
  H      -2.354877      0.516290      5.275746
  H      -0.514943      2.962658      5.163109
  H      -0.328213      1.537110      6.215785
  H      -1.245245      6.252726      6.601518
  H      -0.884993      5.128900      5.283838
  H      -1.824973      4.465319      8.122405
  H      -0.227051      4.084295      7.425459
  H      -4.246610      1.827971      8.919571
  H      -3.675808      3.503415      8.863125
  H      -2.568681      1.063059      7.376929
  H      -1.743144      1.990583      8.655643
  C      -3.722798      1.678912      3.114424
  C      -4.644439      0.493130      3.474712
  C      -5.889317      0.419106      2.566630
  C      -5.554281      0.307251      1.106428
  N      -5.674797      1.408645      0.372929
  C      -5.329488      1.333275     -0.939277
  N      -4.870346      0.287724     -1.596821
  C      -4.746488     -0.864885     -0.868761
  C      -4.269339     -2.036207     -1.508044
  C      -4.146996     -3.211579     -0.796485
  C      -4.498655     -3.265313      0.573273
  C      -4.963040     -2.138416      1.220687
  C      -5.092664     -0.913307      0.518818
  C      -3.495675      6.671808      5.564233
  C      -3.271578      7.292215      4.172883
  C      -4.172581      6.711816      3.079878
  C      -5.648418      6.961185      3.280695
  N      -6.013409      7.907019      4.138775
  C      -7.344424      8.089015      4.348009
  N      -8.345696      7.418959      3.816828
  C      -7.999273      6.454683      2.907789
  C      -9.021344      5.693082      2.291739
  C      -8.697839      4.717884      1.370835
  C      -7.346733      4.466810      1.031392
  C      -6.333488      5.191258      1.625291
  C      -6.632504      6.196036      2.577721
  C      -6.117237      2.687882      7.366798
  C      -6.844006      4.032668      7.504190
  C      -8.359075      3.927924      7.696641
  C      -9.156168      3.545797      6.470849
  N      -8.504932      3.113103      5.401851
  C      -9.230613      2.798815      4.297666
  N     -10.537177      2.865149      4.145840
  C     -11.239315      3.304202      5.234518
  C     -12.648816      3.406094      5.144737
  C     -13.382462      3.842387      6.228004
  C     -12.739464      4.192303      7.438121
  C     -11.365815      4.106684      7.550624
  C     -10.584779      3.663441      6.454118
  H      -2.974789      1.355952      2.363923
  H      -4.329634      2.466483      2.652164
  H      -4.995633      0.634194      4.509440
  H      -4.092339     -0.458515      3.444090
  H      -6.515179     -0.432146      2.876932
  H      -6.474395      1.339302      2.702200
  H      -5.451672      2.262975     -1.505396
  H      -4.011957     -1.974064     -2.566278
  H      -3.781277     -4.112500     -1.292356
  H      -4.403266     -4.206027      1.117780
  H      -5.236777     -2.190111      2.275101
  H      -4.573821      6.648298      5.766127
  H      -3.048515      7.343201      6.321277
  H      -2.218901      7.160325      3.876030
  H      -3.452863      8.373890      4.254336
  H      -3.885526      7.130641      2.098502
  H      -4.017341      5.625449      2.999839
  H      -7.602364      8.883362      5.056703
  H     -10.054860      5.896031      2.575468
  H      -9.490044      4.121112      0.914330
  H      -7.098170      3.667959      0.329981
  H      -5.295342      4.974067      1.375777
  H      -6.266478      2.090973      8.285905
  H      -6.576966      2.139175      6.533973
  H      -6.418405      4.586884      8.356070
  H      -6.639046      4.612854      6.592004
  H      -8.601090      3.213654      8.505907
  H      -8.740750      4.899997      8.048846
  H      -8.646500      2.463012      3.435524
  H     -13.120462      3.131952      4.199852
  H     -14.468559      3.920916      6.154642
  H     -13.335396      4.535457      8.285363
  H     -10.878645      4.380821      8.486717
  N      -5.277021      4.029455      4.581684
96
Coordinates from ORCA-job orca E -6203.177406400815
  N      -3.079616      2.266528      4.270817
  Mo     -3.933309      3.620150      5.466740
  N      -4.692295      2.835625      7.125161
  C      -3.806218      2.588234      8.260290
  C      -2.446641      2.066216      7.791563
  N      -1.899763      2.913275      6.723744
  C      -1.096645      2.197783      5.724756
  C      -1.997107      1.423259      4.767873
  C      -1.310925      4.176433      7.186852
  C      -1.548424      5.278418      6.154964
  N      -2.959746      5.330784      5.770503
  H      -1.382422      1.061612      3.921140
  H      -2.394917      0.515953      5.266768
  H      -0.540205      2.951335      5.148698
  H      -0.355893      1.522271      6.196831
  H      -1.241649      6.243136      6.597168
  H      -0.893908      5.119281      5.275889
  H      -1.823061      4.457010      8.118305
  H      -0.231254      4.067834      7.411663
  H      -4.249590      1.830583      8.930765
  H      -3.669769      3.502774      8.872611
  H      -2.588527      1.059447      7.373009
  H      -1.747528      1.979740      8.647178
  C      -3.765646      1.703540      3.110648
  C      -4.693357      0.518796      3.454997
  C      -5.915975      0.439641      2.517711
  C      -5.545907      0.321012      1.066615
  N      -5.646669      1.419542      0.325197
  C      -5.269734      1.337790     -0.978059
  N      -4.797636      0.287729     -1.619272
  C      -4.694480     -0.861798     -0.883354
  C      -4.205566     -2.036958     -1.505949
  C      -4.102659     -3.209478     -0.786392
  C      -4.486247     -3.256170      0.574882
  C      -4.963105     -2.125259      1.205916
  C      -5.073307     -0.903301      0.495695
  C      -3.486854      6.677578      5.552320
  C      -3.251342      7.282443      4.155893
  C      -4.149685      6.696978      3.063690
  C      -5.624739      6.957053      3.255629
  N      -5.986177      7.917305      4.099013
  C      -7.316492      8.109088      4.303345
  N      -8.320327      7.435930      3.781008
  C      -7.977569      6.456179      2.887252
  C      -9.002623      5.689425      2.282564
  C      -8.683092      4.698355      1.377903
  C      -7.333295      4.435898      1.043114
  C      -6.317159      5.165593      1.625780
  C      -6.611702      6.186316      2.562454
  C      -6.127702      2.696628      7.392400
  C      -6.854720      4.040539      7.533787
  C      -8.369003      3.931459      7.729563
  C      -9.166663      3.545921      6.505553
  N      -8.514935      3.117898      5.435058
  C      -9.240438      2.802716      4.330788
  N     -10.547562      2.863726      4.180669
  C     -11.250546      3.296880      5.271625
  C     -12.661002      3.392843      5.184404
  C     -13.394804      3.823087      6.270143
  C     -12.751289      4.173017      7.480036
  C     -11.377079      4.093489      7.589976
  C     -10.595787      3.656325      6.491219
  H      -3.020764      1.386323      2.354834
  H      -4.369333      2.499960      2.659064
  H      -5.068587      0.664494      4.480600
  H      -4.139262     -0.432126      3.441317
  H      -6.547773     -0.411018      2.816803
  H      -6.505311      1.359206      2.635067
  H      -5.375013      2.265579     -1.550895
  H      -3.923346     -1.980108     -2.558121
  H      -3.727545     -4.113457     -1.269427
  H      -4.405822     -4.194516      1.125826
  H      -5.261622     -2.171510      2.253749
  H      -4.565947      6.666597      5.750245
  H      -3.035438      7.351188      6.304570
  H      -2.197792      7.140626      3.866020
  H      -3.425920      8.366035      4.225252
  H      -3.855670      7.105913      2.080292
  H      -3.999522      5.609453      2.993893
  H      -7.571461      8.915256      4.999821
  H     -10.035457      5.901737      2.562060
  H      -9.477773      4.098045      0.930509
  H      -7.086699      3.624330      0.356096
  H      -5.280242      4.939698      1.379490
  H      -6.270485      2.100107      8.312660
  H      -6.592789      2.146959      6.563091
  H      -6.427624      4.594044      8.385443
  H      -6.653559      4.622479      6.621854
  H      -8.607422      3.217080      8.539851
  H      -8.752913      4.903026      8.081294
  H      -8.655468      2.470945      3.466951
  H     -13.133174      3.119135      4.239640
  H     -14.481361      3.897006      6.198804
  H     -13.347271      4.511271      8.329118
  H     -10.889557      4.367427      8.526057
  N      -5.301090      4.048605      4.604508
96
Coordinates from ORCA-job orca E -6203.177773324880
  N      -3.134333      2.290018      4.265176
  Mo     -3.953193      3.648716      5.476860
  N      -4.701056      2.856514      7.137184
  C      -3.804818      2.593770      8.261027
  C      -2.455843      2.060147      7.775257
  N      -1.913960      2.908948      6.707048
  C      -1.131684      2.191663      5.692961
  C      -2.053569      1.431899      4.741852
  C      -1.305037      4.162207      7.170677
  C      -1.539115      5.273863      6.148157
  N      -2.952356      5.345089      5.774943
  H      -1.454573      1.068751      3.884763
  H      -2.455219      0.526113      5.240753
  H      -0.577052      2.944505      5.113603
  H      -0.389925      1.508252      6.150937
  H      -1.218120      6.231894      6.595229
  H      -0.893000      5.114159      5.262791
  H      -1.803654      4.443354      8.109355
  H      -0.224350      4.039829      7.383169
  H      -4.248992      1.838617      8.933562
  H      -3.651559      3.504652      8.874609
  H      -2.613768      1.057806      7.351519
  H      -1.747272      1.961716      8.621477
  C      -3.834427      1.752988      3.100987
  C      -4.773773      0.576103      3.432406
  C      -5.969978      0.487391      2.463350
  C      -5.563481      0.344781      1.024540
  N      -5.646528      1.430016      0.259629
  C      -5.234413      1.322821     -1.032131
  N      -4.745958      0.260050     -1.639662
  C      -4.663333     -0.874665     -0.880034
  C      -4.160290     -2.060972     -1.467903
  C      -4.076504     -3.220252     -0.724464
  C      -4.494410     -3.241493      0.626879
  C      -4.986100     -2.098508      1.224182
  C      -5.076650     -0.890086      0.488938
  C      -3.456389      6.699072      5.549557
  C      -3.210615      7.289409      4.149454
  C      -4.104729      6.699564      3.057494
  C      -5.579334      6.966023      3.242246
  N      -5.938286      7.931642      4.080219
  C      -7.268187      8.124106      4.287870
  N      -8.273405      7.446583      3.773942
  C      -7.932932      6.461180      2.885370
  C      -8.959438      5.686223      2.293307
  C      -8.642459      4.688290      1.396276
  C      -7.295422      4.429107      1.053802
  C      -6.277695      5.167971      1.622134
  C      -6.568353      6.192189      2.555320
  C      -6.135126      2.712893      7.411912
  C      -6.872567      4.049174      7.558669
  C      -8.385306      3.915854      7.755189
  C      -9.175969      3.522217      6.529582
  N      -8.516465      3.098747      5.461841
  C      -9.234240      2.778219      4.353283
  N     -10.542237      2.828002      4.198802
  C     -11.253654      3.253364      5.288913
  C     -12.665783      3.337184      5.198981
  C     -13.406013      3.758678      6.284433
  C     -12.768017      4.112204      7.496209
  C     -11.393471      4.045718      7.608401
  C     -10.605654      3.617892      6.510963
  H      -3.097615      1.437429      2.336982
  H      -4.432303      2.562643      2.662667
  H      -5.175408      0.736012      4.445557
  H      -4.220814     -0.375685      3.445125
  H      -6.612702     -0.356486      2.757866
  H      -6.560042      1.409745      2.551263
  H      -5.321742      2.238983     -1.626191
  H      -3.851805     -2.023733     -2.513576
  H      -3.690125     -4.133101     -1.181093
  H      -4.429328     -4.169497      1.197035
  H      -5.312218     -2.124695      2.264146
  H      -4.534914      6.708486      5.749015
  H      -2.991023      7.369815      6.295768
  H      -2.155946      7.140770      3.865702
  H      -3.380018      8.374525      4.209170
  H      -3.804315      7.102393      2.073687
  H      -3.956421      5.611481      2.994597
  H      -7.521161      8.933807      4.981197
  H      -9.991303      5.897067      2.577760
  H      -9.437065      4.080436      0.959800
  H      -7.049176      3.615443      0.370221
  H      -5.242177      4.945673      1.365382
  H      -6.267636      2.115320      8.332746
  H      -6.603598      2.159676      6.586360
  H      -6.451243      4.604494      8.412484
  H      -6.680000      4.638039      6.649883
  H      -8.612469      3.194257      8.562387
  H      -8.783664      4.880156      8.111529
  H      -8.641862      2.450009      3.491132
  H     -13.134435      3.061392      4.253200
  H     -14.493094      3.822872      6.211094
  H     -13.368568      4.442645      8.345102
  H     -10.910768      4.322077      8.546504
  N      -5.326299      4.100608      4.635151
96
Coordinates from ORCA-job orca E -6203.178120400631
  N      -3.174138      2.304197      4.261742
  Mo     -3.972535      3.660414      5.488692
  N      -4.708124      2.861757      7.151816
  C      -3.802499      2.589547      8.265773
  C      -2.461064      2.051184      7.764741
  N      -1.925800      2.902437      6.695060
  C      -1.158055      2.185653      5.669529
  C      -2.093964      1.436746      4.722697
  C      -1.305296      4.150009      7.158374
  C      -1.541039      5.267665      6.142763
  N      -2.956277      5.348806      5.779654
  H      -1.505366      1.075221      3.857821
  H      -2.496167      0.530748      5.220661
  H      -0.604313      2.938302      5.088964
  H      -0.416132      1.495403      6.116805
  H      -1.211577      6.221838      6.592060
  H      -0.901927      5.108593      5.252097
  H      -1.794005      4.429877      8.102670
  H      -0.223524      4.020369      7.360861
  H      -4.244109      1.834056      8.939587
  H      -3.638503      3.497218      8.881251
  H      -2.628463      1.051791      7.337764
  H      -1.744569      1.945534      8.603283
  C      -3.882357      1.787776      3.093086
  C      -4.831302      0.616150      3.410785
  C      -6.001420      0.520429      2.411463
  C      -5.558304      0.362095      0.985227
  N      -5.618566      1.439653      0.207208
  C      -5.173126      1.318302     -1.072187
  N      -4.672874      0.247643     -1.655960
  C      -4.614175     -0.879560     -0.883146
  C      -4.101203     -2.073617     -1.446017
  C      -4.040706     -3.225580     -0.689003
  C      -4.492567     -3.231575      0.651475
  C      -4.994851     -2.080738      1.224456
  C      -5.062058     -0.879681      0.474915
  C      -3.447412      6.706140      5.545246
  C      -3.193691      7.285169      4.141664
  C      -4.084637      6.691497      3.049093
  C      -5.559299      6.963644      3.225471
  N      -5.918133      7.937710      4.053536
  C      -7.248103      8.134504      4.256769
  N      -8.253430      7.453067      3.748267
  C      -7.912931      6.458875      2.869623
  C      -8.939574      5.678161      2.285294
  C      -8.622865      4.670915      1.398765
  C      -7.275947      4.407865      1.058884
  C      -6.258216      5.152483      1.620050
  C      -6.548362      6.185746      2.543135
  C      -6.140154      2.714052      7.435425
  C      -6.881100      4.047595      7.587789
  C      -8.393185      3.907605      7.786100
  C      -9.183189      3.515985      6.559512
  N      -8.522440      3.099509      5.490013
  C      -9.238852      2.782889      4.379601
  N     -10.546741      2.830246      4.224537
  C     -11.259635      3.247572      5.316664
  C     -12.671912      3.327524      5.226583
  C     -13.413872      3.740639      6.314146
  C     -12.777358      4.089537      7.528190
  C     -11.402630      4.026805      7.640432
  C     -10.613157      3.607241      6.540989
  H      -3.150542      1.475774      2.322805
  H      -4.474732      2.607979      2.666867
  H      -5.258565      0.786235      4.411631
  H      -4.279862     -0.336062      3.446342
  H      -6.653622     -0.319060      2.697499
  H      -6.591569      1.444681      2.474315
  H      -5.241964      2.228764     -1.677358
  H      -3.766362     -2.048161     -2.483921
  H      -3.646458     -4.144417     -1.126487
  H      -4.445508     -4.153919      1.232466
  H      -5.347432     -2.094869      2.255963
  H      -4.526028      6.726734      5.742995
  H      -2.976376      7.377327      6.287489
  H      -2.138334      7.130824      3.863353
  H      -3.359250      8.371326      4.193289
  H      -3.778123      7.088231      2.064708
  H      -3.939003      5.602774      2.992738
  H      -7.500988      8.951698      4.941354
  H      -9.971473      5.892321      2.567333
  H      -9.417851      4.058654      0.968968
  H      -7.028149      3.586103      0.385532
  H      -5.222848      4.927017      1.365147
  H      -6.265196      2.115279      8.356507
  H      -6.612393      2.159996      6.612379
  H      -6.460060      4.601462      8.442721
  H      -6.692505      4.640065      6.680581
  H      -8.616812      3.182181      8.590818
  H      -8.794868      4.869118      8.146254
  H      -8.645221      2.459635      3.516498
  H     -13.139211      3.055541      4.278949
  H     -14.501124      3.801839      6.240692
  H     -13.379182      4.413261      8.378737
  H     -10.920986      4.299356      8.580229
  N      -5.350922      4.125894      4.663308
96
Coordinates from ORCA-job orca E -6203.178489735988
  N      -3.221201      2.341867      4.240996
  Mo     -3.989261      3.677681      5.503310
  N      -4.693885      2.847018      7.165136
  C      -3.772351      2.562517      8.260945
  C      -2.439299      2.030275      7.731801
  N      -1.922645      2.897017      6.664767
  C      -1.178470      2.197123      5.611579
  C      -2.134176      1.467139      4.669777
  C      -1.289069      4.135316      7.134287
  C      -1.540327      5.269260      6.139939
  N      -2.960403      5.358046      5.799895
  H      -1.560946      1.119072      3.789488
  H      -2.527978      0.554700      5.162179
  H      -0.633899      2.959013      5.034659
  H      -0.429995      1.496188      6.031280
  H      -1.201859      6.216300      6.597007
  H      -0.915789      5.122579      5.236724
  H      -1.757108      4.402256      8.092652
  H      -0.203801      3.999360      7.312949
  H      -4.204922      1.799645      8.933015
  H      -3.599417      3.463890      8.883120
  H      -2.614092      1.036947      7.294460
  H      -1.708007      1.914791      8.555940
  C      -3.945640      1.854851      3.072221
  C      -4.914921      0.701499      3.384970
  C      -6.053786      0.593860      2.352929
  C      -5.572588      0.386753      0.945432
  N      -5.603321      1.439010      0.133281
  C      -5.117883      1.275887     -1.125862
  N      -4.605673      0.185781     -1.661253
  C      -4.580465     -0.918373     -0.853691
  C      -4.061957     -2.134431     -1.363310
  C      -4.037395     -3.262945     -0.570428
  C      -4.531367     -3.224200      0.754860
  C      -5.039323     -2.051487      1.277049
  C      -5.070232     -0.873034      0.489381
  C      -3.448140      6.718435      5.573964
  C      -3.198350      7.305428      4.172357
  C      -4.080148      6.712033      3.070546
  C      -5.559922      6.966304      3.238306
  N      -5.937489      7.919910      4.081182
  C      -7.271543      8.095494      4.280176
  N      -8.263996      7.407179      3.755832
  C      -7.903632      6.436389      2.859651
  C      -8.915645      5.648349      2.259654
  C      -8.580043      4.663575      1.353283
  C      -7.227095      4.431255      1.010137
  C      -6.223894      5.181499      1.591452
  C      -6.534101      6.191294      2.532464
  C      -6.122412      2.679386      7.454455
  C      -6.875422      4.004764      7.624289
  C      -8.388240      3.854386      7.819753
  C      -9.173993      3.487708      6.581665
  N      -8.509609      3.082030      5.511491
  C      -9.219379      2.786780      4.393026
  N     -10.523716      2.847573      4.226129
  C     -11.240316      3.255083      5.316367
  C     -12.648882      3.343491      5.212267
  C     -13.400314      3.744672      6.297532
  C     -12.774606      4.072765      7.523759
  C     -11.401279      4.000582      7.649218
  C     -10.603437      3.591561      6.551829
  H      -3.224643      1.539632      2.292073
  H      -4.525462      2.691581      2.662571
  H      -5.370679      0.896771      4.368037
  H      -4.373070     -0.254593      3.458442
  H      -6.729998     -0.225743      2.643101
  H      -6.629704      1.530433      2.368096
  H      -5.165795      2.167000     -1.760812
  H      -3.694997     -2.144245     -2.390701
  H      -3.639071     -4.198380     -0.967562
  H      -4.512273     -4.129223      1.364011
  H      -5.425451     -2.029099      2.296583
  H      -4.524995      6.743400      5.778222
  H      -2.968035      7.385140      6.315508
  H      -2.141405      7.165321      3.894652
  H      -3.375355      8.389770      4.232708
  H      -3.769119      7.118975      2.091560
  H      -3.925670      5.624392      3.005500
  H      -7.539543      8.898933      4.974987
  H      -9.951509      5.838226      2.545081
  H      -9.365019      4.044915      0.912527
  H      -6.961007      3.624936      0.323439
  H      -5.183070      4.977804      1.336970
  H      -6.238873      2.068326      8.369136
  H      -6.593642      2.132195      6.625846
  H      -6.458720      4.550215      8.486593
  H      -6.689909      4.609996      6.725290
  H      -8.611030      3.111568      8.608289
  H      -8.794690      4.805266      8.199887
  H      -8.623227      2.465549      3.534654
  H     -13.105421      3.086698      4.254701
  H     -14.486471      3.812317      6.213156
  H     -13.383731      4.387265      8.372800
  H     -10.927083      4.256519      8.597200
  N      -5.383585      4.164264      4.718640
96
Coordinates from ORCA-job orca E -6203.178923485166
  N      -3.265006      2.369848      4.221594
  Mo     -4.006593      3.696868      5.507460
  N      -4.697346      2.848911      7.167454
  C      -3.765333      2.544553      8.249298
  C      -2.441130      2.012082      7.698382
  N      -1.931919      2.889039      6.635855
  C      -1.206776      2.197180      5.563789
  C      -2.179833      1.482834      4.628531
  C      -1.284317      4.116912      7.112891
  C      -1.537366      5.264258      6.134906
  N      -2.959439      5.365810      5.807807
  H      -1.620438      1.138453      3.738195
  H      -2.573629      0.569303      5.118743
  H      -0.666503      2.962338      4.987290
  H      -0.456116      1.487234      5.963904
  H      -1.189621      6.203609      6.601168
  H      -0.920824      5.125588      5.224904
  H      -1.740206      4.375486      8.079402
  H      -0.198265      3.971183      7.278397
  H      -4.194490      1.775195      8.915939
  H      -3.580544      3.436643      8.881491
  H      -2.626656      1.025387      7.250512
  H      -1.700967      1.882324      8.512492
  C      -4.004238      1.904425      3.053273
  C      -4.986712      0.762859      3.361917
  C      -6.095749      0.639748      2.299694
  C      -5.576741      0.402038      0.910386
  N      -5.587386      1.436575      0.075447
  C      -5.069678      1.247650     -1.167237
  N      -4.542252      0.147295     -1.665495
  C      -4.537327     -0.939672     -0.834164
  C      -4.005027     -2.165840     -1.304076
  C      -4.001098     -3.277344     -0.487004
  C      -4.529720     -3.210954      0.823768
  C      -5.051285     -2.027993      1.307543
  C      -5.062111     -0.866550      0.494419
  C      -3.435017      6.731016      5.584383
  C      -3.181519      7.315456      4.182450
  C      -4.058680      6.718902      3.078582
  C      -5.539404      6.971786      3.239026
  N      -5.922065      7.927559      4.076975
  C      -7.257076      8.100198      4.271156
  N      -8.245873      7.405279      3.748613
  C      -7.880311      6.432526      2.856697
  C      -8.887950      5.637726      2.258353
  C      -8.547154      4.652184      1.354681
  C      -7.193225      4.426989      1.010455
  C      -6.194043      5.183760      1.590820
  C      -6.509442      6.192871      2.531238
  C      -6.122592      2.671951      7.467533
  C      -6.884048      3.991036      7.646946
  C      -8.395347      3.827914      7.841461
  C      -9.179406      3.469182      6.599688
  N      -8.514137      3.072700      5.526134
  C      -9.222808      2.787940      4.403911
  N     -10.527315      2.851283      4.236761
  C     -11.245095      3.247743      5.330975
  C     -12.653982      3.338037      5.227127
  C     -13.405803      3.728293      6.315902
  C     -12.780782      4.043364      7.545623
  C     -11.407621      3.969674      7.671023
  C     -10.608894      3.572191      6.569974
  H      -3.293342      1.587275      2.264974
  H      -4.575911      2.752321      2.656182
  H      -5.469055      0.980041      4.327828
  H      -4.451141     -0.193280      3.470925
  H      -6.784319     -0.170614      2.586979
  H      -6.667520      1.578621      2.278495
  H      -5.100259      2.125700     -1.821381
  H      -3.611323     -2.197186     -2.321060
  H      -3.592336     -4.220642     -0.853691
  H      -4.526313     -4.102911      1.452169
  H      -5.463826     -1.983981      2.315934
  H      -4.511700      6.765212      5.788942
  H      -2.947982      7.393102      6.325542
  H      -2.123570      7.175736      3.908298
  H      -3.359494      8.399690      4.240229
  H      -3.743276      7.123081      2.099856
  H      -3.903221      5.631074      3.017030
  H      -7.529237      8.905893      4.961558
  H      -9.924867      5.823793      2.542182
  H      -9.329217      4.029720      0.914427
  H      -6.922441      3.622460      0.322925
  H      -5.152526      4.987329      1.334217
  H      -6.227706      2.058240      8.381622
  H      -6.596974      2.123423      6.641845
  H      -6.470348      4.533259      8.512515
  H      -6.703788      4.603190      6.751747
  H      -8.612485      3.075206      8.622312
  H      -8.808379      4.771994      8.231390
  H      -8.625827      2.476980      3.541720
  H     -13.109923      3.091028      4.266968
  H     -14.491873      3.797318      6.231617
  H     -13.390333      4.349432      8.397478
  H     -10.933866      4.215672      8.621863
  N      -5.404699      4.206208      4.744450
96
Coordinates from ORCA-job orca E -6203.179346932689
  N      -3.334641      2.409704      4.182490
  Mo     -4.037098      3.724514      5.503746
  N      -4.711490      2.851490      7.159224
  C      -3.764473      2.512576      8.219365
  C      -2.454239      1.980564      7.634721
  N      -1.953582      2.873420      6.581738
  C      -1.255744      2.194584      5.482455
  C      -2.252610      1.504490      4.556238
  C      -1.284991      4.083822      7.073370
  C      -1.536636      5.251878      6.121558
  N      -2.961168      5.374035      5.814981
  H      -1.713632      1.167541      3.650546
  H      -2.646088      0.586941      5.039172
  H      -0.718967      2.963458      4.907845
  H      -0.504558      1.469805      5.853446
  H      -1.173819      6.178274      6.603279
  H      -0.932148      5.125642      5.201789
  H      -1.725057      4.329110      8.050647
  H      -0.198775      3.922518      7.221797
  H      -4.188318      1.731679      8.874871
  H      -3.560132      3.387235      8.869965
  H      -2.656662      1.004942      7.169622
  H      -1.702418      1.825932      8.434194
  C      -4.095924      1.963977      3.018232
  C      -5.073378      0.819805      3.330868
  C      -6.154928      0.650761      2.244690
  C      -5.598560      0.389133      0.873285
  N      -5.619593      1.399048      0.008186
  C      -5.074857      1.188623     -1.219737
  N      -4.505917      0.090221     -1.674234
  C      -4.485787     -0.971245     -0.810612
  C      -3.906890     -2.193007     -1.233662
  C      -3.887453     -3.280261     -0.384181
  C      -4.445059     -3.191782      0.912984
  C      -5.010699     -2.012121      1.351279
  C      -5.040362     -0.875662      0.504288
  C      -3.419538      6.746886      5.608053
  C      -3.164173      7.337293      4.210200
  C      -4.035123      6.738307      3.104851
  C      -5.516023      6.985475      3.258411
  N      -5.909131      7.941186      4.091231
  C      -7.246163      8.102543      4.278468
  N      -8.226600      7.394030      3.757967
  C      -7.849605      6.419128      2.872502
  C      -8.845595      5.608712      2.276327
  C      -8.491187      4.623499      1.378131
  C      -7.135435      4.419079      1.029865
  C      -6.147107      5.193458      1.604605
  C      -6.476066      6.196136      2.548431
  C      -6.131157      2.666143      7.481611
  C      -6.898819      3.978149      7.676695
  C      -8.407069      3.803512      7.870404
  C      -9.187987      3.454395      6.624152
  N      -8.520069      3.057014      5.550328
  C      -9.225763      2.785591      4.420905
  N     -10.530875      2.864493      4.250088
  C     -11.251922      3.258803      5.346799
  C     -12.661469      3.369117      5.239752
  C     -13.411806      3.758735      6.329728
  C     -12.786870      4.053848      7.563182
  C     -11.415163      3.962962      7.692414
  C     -10.616419      3.567588      6.590730
  H      -3.398235      1.650543      2.217961
  H      -4.671219      2.816745      2.635073
  H      -5.581167      1.055127      4.280418
  H      -4.527680     -0.124884      3.477601
  H      -6.834107     -0.165376      2.536036
  H      -6.744781      1.575301      2.185755
  H      -5.113278      2.047114     -1.898031
  H      -3.490840     -2.241410     -2.240847
  H      -3.443660     -4.220930     -0.714561
  H      -4.427764     -4.064551      1.567517
  H      -5.442691     -1.952071      2.350490
  H      -4.496006      6.790392      5.814317
  H      -2.923366      7.396913      6.353210
  H      -2.104810      7.199793      3.938479
  H      -3.344658      8.420526      4.268699
  H      -3.717246      7.139340      2.125929
  H      -3.875632      5.650790      3.047383
  H      -7.528253      8.908287      4.964564
  H      -9.884803      5.782547      2.557870
  H      -9.264442      3.991090      0.938672
  H      -6.856837      3.625529      0.333024
  H      -5.104744      5.021556      1.338195
  H      -6.217129      2.050726      8.395671
  H      -6.614626      2.114199      6.664248
  H      -6.485755      4.515262      8.545579
  H      -6.725002      4.598328      6.785808
  H      -8.619761      3.039881      8.642507
  H      -8.824895      4.741477      8.271575
  H      -8.626004      2.484919      3.553040
  H     -13.117506      3.137844      4.276546
  H     -14.496553      3.842824      6.243451
  H     -13.395403      4.360326      8.415525
  H     -10.942407      4.196124      8.647187
  N      -5.436255      4.273210      4.770285
96
Coordinates from ORCA-job orca E -6203.179763487541
  N      -3.383672      2.437851      4.163637
  Mo     -4.055775      3.737097      5.513599
  N      -4.706839      2.841855      7.167119
  C      -3.745182      2.483071      8.206637
  C      -2.445775      1.955860      7.594341
  N      -1.958956      2.862893      6.546786
  C      -1.282951      2.199074      5.425414
  C      -2.298326      1.525022      4.507116
  C      -1.277718      4.063236      7.045086
  C      -1.537410      5.245768      6.113125
  N      -2.964704      5.377096      5.824274
  H      -1.775419      1.198607      3.588409
  H      -2.685392      0.602742      4.985917
  H      -0.754791      2.975612      4.853125
  H      -0.527049      1.466742      5.771943
  H      -1.166072      6.164184      6.603270
  H      -0.943907      5.131034      5.184586
  H      -1.702306      4.296542      8.032094
  H      -0.190180      3.895017      7.175526
  H      -4.162247      1.693239      8.856128
  H      -3.528715      3.347036      8.867438
  H      -2.658587      0.987871      7.118412
  H      -1.681725      1.787951      8.379218
  C      -4.163088      2.017874      3.003550
  C      -5.152619      0.885255      3.310846
  C      -6.199234      0.699480      2.194820
  C      -5.600951      0.408886      0.847360
  N      -5.594720      1.400541     -0.038140
  C      -5.009462      1.165539     -1.243002
  N      -4.426650      0.058188     -1.656492
  C      -4.435806     -0.986046     -0.771622
  C      -3.845713     -2.217286     -1.150659
  C      -3.856128     -3.286961     -0.279332
  C      -4.455728     -3.171737      0.997039
  C      -5.033156     -1.982561      1.392893
  C      -5.032448     -0.863224      0.522532
  C      -3.414894      6.753591      5.620365
  C      -3.155880      7.344424      4.222728
  C      -4.019750      6.743087      3.111839
  C      -5.502962      6.985916      3.256833
  N      -5.902550      7.937393      4.091185
  C      -7.240788      8.093862      4.274924
  N      -8.216828      7.382546      3.750409
  C      -7.833426      6.413802      2.861450
  C      -8.825175      5.600678      2.261711
  C      -8.465369      4.621100      1.358986
  C      -7.108235      4.424636      1.010730
  C      -6.123854      5.200593      1.591492
  C      -6.458335      6.197949      2.538575
  C      -6.122412      2.644919      7.501253
  C      -6.899534      3.950931      7.700967
  C      -8.408056      3.766631      7.890430
  C      -9.187859      3.432154      6.638584
  N      -8.520874      3.044364      5.561441
  C      -9.226268      2.789851      4.428800
  N     -10.530036      2.875633      4.256301
  C     -11.250075      3.259574      5.355586
  C     -12.658201      3.373796      5.247091
  C     -13.409660      3.752737      6.339811
  C     -12.786536      4.032508      7.578186
  C     -11.415391      3.936695      7.708717
  C     -10.615868      3.551547      6.603809
  H      -3.478360      1.707835      2.190193
  H      -4.732159      2.882917      2.640982
  H      -5.688064      1.141456      4.239165
  H      -4.615044     -0.058075      3.493659
  H      -6.892080     -0.107901      2.479714
  H      -6.782736      1.625611      2.097792
  H      -5.026629      2.009704     -1.940738
  H      -3.397315     -2.286787     -2.142705
  H      -3.403622     -4.234759     -0.576153
  H      -4.461738     -4.031386      1.668909
  H      -5.498382     -1.901189      2.375651
  H      -4.490675      6.804635      5.827415
  H      -2.912582      7.399413      6.365653
  H      -2.095077      7.211968      3.955394
  H      -3.340777      8.427179      4.281531
  H      -3.696376      7.145506      2.135086
  H      -3.857266      5.655709      3.054025
  H      -7.527771      8.897974      4.960831
  H      -9.865570      5.768210      2.543437
  H      -9.235656      3.986349      0.916674
  H      -6.824679      3.633185      0.312734
  H      -5.079728      5.033067      1.326836
  H      -6.196501      2.029371      8.416556
  H      -6.608421      2.088998      6.687583
  H      -6.491412      4.486025      8.573372
  H      -6.727617      4.576817      6.813872
  H      -8.618893      2.992691      8.652406
  H      -8.830436      4.697166      8.302498
  H      -8.627767      2.492872      3.560622
  H     -13.112688      3.153621      4.280283
  H     -14.494054      3.839991      6.252091
  H     -13.396025      4.330247      8.433019
  H     -10.943452      4.156754      8.666836
  N      -5.463531      4.305776      4.813029
96
Coordinates from ORCA-job orca E -6203.180171421332
  N      -3.446872      2.468575      4.140200
  Mo     -4.086088      3.743262      5.529231
  N      -4.702015      2.817708      7.179873
  C      -3.718595      2.435300      8.189788
  C      -2.433103      1.920588      7.538761
  N      -1.969170      2.848492      6.499796
  C      -1.317580      2.208552      5.351551
  C      -2.352928      1.550897      4.443058
  C      -1.277961      4.039279      7.007175
  C      -1.551896      5.238733      6.100793
  N      -2.983205      5.375305      5.836584
  H      -1.850000      1.242231      3.506963
  H      -2.727408      0.618742      4.912602
  H      -0.802486      2.997059      4.783533
  H      -0.554120      1.469689      5.667409
  H      -1.172880      6.148392      6.601193
  H      -0.973358      5.141151      5.160767
  H      -1.685054      4.255701      8.005292
  H      -0.188435      3.867998      7.116123
  H      -4.122299      1.631614      8.830799
  H      -3.486886      3.284194      8.864672
  H      -2.656101      0.961707      7.049247
  H      -1.651871      1.737402      8.303048
  C      -4.244379      2.072852      2.985780
  C      -5.234834      0.940360      3.285946
  C      -6.247151      0.727945      2.143330
  C      -5.601586      0.417431      0.822439
  N      -5.568429      1.391906     -0.081415
  C      -4.936104      1.136749     -1.258405
  N      -4.330348      0.026017     -1.627474
  C      -4.366480     -1.000870     -0.723712
  C      -3.752951     -2.234385     -1.055401
  C      -3.789980     -3.287067     -0.164665
  C      -4.441203     -3.152575      1.084446
  C      -5.042766     -1.960495      1.434177
  C      -5.014245     -0.857357      0.543571
  C      -3.429910      6.753361      5.638937
  C      -3.168900      7.347971      4.243025
  C      -4.021072      6.740323      3.125864
  C      -5.507341      6.972592      3.261051
  N      -5.918249      7.910586      4.104819
  C      -7.258814      8.057194      4.281465
  N      -8.226862      7.347936      3.740208
  C      -7.831764      6.395642      2.838957
  C      -8.815501      5.587818      2.219388
  C      -8.444768      4.626770      1.301211
  C      -7.084444      4.443614      0.958719
  C      -6.107230      5.212988      1.560660
  C      -6.453249      6.191599      2.522695
  C      -6.111865      2.609655      7.534940
  C      -6.892816      3.910687      7.751022
  C      -8.402534      3.725182      7.934712
  C      -9.178775      3.416251      6.673860
  N      -8.509240      3.032022      5.597713
  C      -9.209336      2.804123      4.457153
  N     -10.509622      2.912320      4.274177
  C     -11.232278      3.291785      5.371933
  C     -12.636803      3.427062      5.252643
  C     -13.392579      3.801274      6.344090
  C     -12.776530      4.054903      7.591944
  C     -11.407984      3.938114      7.732907
  C     -10.604663      3.556867      6.629383
  H      -3.570533      1.772092      2.159306
  H      -4.814091      2.945945      2.643888
  H      -5.796058      1.207287      4.195304
  H      -4.695730      0.003522      3.496343
  H      -6.943186     -0.079393      2.420516
  H      -6.834776      1.647629      2.011297
  H      -4.932453      1.965978     -1.974038
  H      -3.264779     -2.319195     -2.027326
  H      -3.319107     -4.236803     -0.424913
  H      -4.468245     -3.999658      1.771693
  H      -5.548149     -1.864799      2.395542
  H      -4.505119      6.805984      5.846534
  H      -2.924533      7.395878      6.385745
  H      -2.105645      7.226482      3.981116
  H      -3.363925      8.429066      4.302384
  H      -3.693627      7.146247      2.151765
  H      -3.848940      5.653977      3.066899
  H      -7.555459      8.850974      4.975330
  H      -9.858609      5.744272      2.497800
  H      -9.208602      3.995012      0.843047
  H      -6.795465      3.666032      0.247285
  H      -5.059596      5.054186      1.301295
  H      -6.169074      1.989113      8.448108
  H      -6.606510      2.054126      6.725052
  H      -6.486394      4.436323      8.630260
  H      -6.719627      4.547412      6.871960
  H      -8.618681      2.939265      8.682494
  H      -8.823169      4.649384      8.361294
  H      -8.609224      2.505099      3.592337
  H     -13.085779      3.226778      4.278571
  H     -14.474849      3.904700      6.248224
  H     -13.389394      4.348681      8.445720
  H     -10.941619      4.137732      8.698037
  N      -5.506459      4.334165      4.874020
96
Coordinates from ORCA-job orca E -6203.180455066155
  N      -3.504661      2.515597      4.112753
  Mo     -4.108796      3.769694      5.537455
  N      -4.702660      2.813229      7.179449
  C      -3.703511      2.401074      8.162317
  C      -2.432659      1.894261      7.477275
  N      -1.981677      2.842431      6.451104
  C      -1.353366      2.224337      5.278154
  C      -2.407434      1.589153      4.375474
  C      -1.275577      4.018178      6.972614
  C      -1.552718      5.236788      6.093993
  N      -2.985819      5.386802      5.849284
  H      -1.923027      1.298659      3.423891
  H      -2.775078      0.648235      4.832660
  H      -0.844823      3.022560      4.717896
  H      -0.588231      1.475420      5.564561
  H      -1.163012      6.134263      6.608495
  H      -0.985567      5.155803      5.145428
  H      -1.668666      4.217318      7.979967
  H      -0.185965      3.837767      7.064310
  H      -4.100207      1.584923      8.791464
  H      -3.453795      3.231951      8.853015
  H      -2.669396      0.947481      6.970750
  H      -1.639103      1.689744      8.223381
  C      -4.319692      2.146370      2.960780
  C      -5.311461      1.013952      3.254548
  C      -6.295524      0.773188      2.091777
  C      -5.616022      0.431383      0.795459
  N      -5.561902      1.380401     -0.134695
  C      -4.895817      1.094751     -1.285849
  N      -4.275209     -0.022822     -1.605983
  C      -4.333017     -1.024138     -0.675468
  C      -3.704876     -2.262913     -0.955204
  C      -3.762800     -3.290755     -0.036811
  C      -4.450487     -3.125026      1.188704
  C      -5.066723     -1.926808      1.487802
  C      -5.017113     -0.848592      0.568284
  C      -3.420879      6.769366      5.659739
  C      -3.157310      7.364890      4.265055
  C      -4.000650      6.751838      3.144924
  C      -5.488549      6.975447      3.269683
  N      -5.913059      7.906628      4.113963
  C      -7.256034      8.038472      4.283810
  N      -8.213663      7.319630      3.736421
  C      -7.804047      6.375681      2.832666
  C      -8.775004      5.558379      2.205630
  C      -8.388499      4.606465      1.284654
  C      -7.024989      4.443036      0.945533
  C      -6.059840      5.221760      1.554346
  C      -6.422102      6.189583      2.521353
  C      -6.106654      2.586726      7.549058
  C      -6.899732      3.875963      7.787532
  C      -8.407834      3.674034      7.964759
  C      -9.178358      3.386039      6.695753
  N      -8.503934      3.010250      5.619291
  C      -9.197531      2.803611      4.470359
  N     -10.495731      2.925641      4.279672
  C     -11.224014      3.294128      5.378182
  C     -12.627285      3.440734      5.251511
  C     -13.387899      3.804127      6.343262
  C     -12.778504      4.035330      7.598557
  C     -11.411741      3.907402      7.747044
  C     -10.603062      3.536755      6.643720
  H      -3.657811      1.855729      2.121542
  H      -4.889220      3.028479      2.639906
  H      -5.895518      1.292859      4.146103
  H      -4.771796      0.084211      3.492533
  H      -6.995407     -0.029773      2.371078
  H      -6.883268      1.686326      1.924173
  H      -4.874595      1.902668     -2.024423
  H      -3.188623     -2.372057     -1.909986
  H      -3.280390     -4.244869     -0.256581
  H      -4.493885     -3.952914      1.898163
  H      -5.599884     -1.807731      2.431317
  H      -4.495418      6.829056      5.868489
  H      -2.909002      7.405478      6.407455
  H      -2.092262      7.248712      4.007156
  H      -3.357730      8.444896      4.322975
  H      -3.669575      7.157130      2.171906
  H      -3.821487      5.666316      3.088876
  H      -7.564705      8.826512      4.979040
  H      -9.820941      5.699960      2.480799
  H      -9.142209      3.967738      0.819905
  H      -6.725926      3.674488      0.229152
  H      -5.009602      5.080503      1.295812
  H      -6.145316      1.956421      8.456129
  H      -6.604779      2.032734      6.740121
  H      -6.498843      4.390734      8.675619
  H      -6.731580      4.528530      6.919192
  H      -8.619887      2.870336      8.694823
  H      -8.835838      4.586244      8.409598
  H      -8.593195      2.515502      3.604087
  H     -13.071071      3.257583      4.271787
  H     -14.468771      3.916504      6.241841
  H     -13.395168      4.320837      8.452329
  H     -10.951125      4.089645      8.718411
  N      -5.533175      4.389861      4.918608
96
Coordinates from ORCA-job orca E -6203.180638383414
  N      -3.525527      2.554948      4.088983
  Mo     -4.127614      3.775123      5.551059
  N      -4.693462      2.780605      7.178970
  C      -3.675587      2.351203      8.135349
  C      -2.409753      1.873705      7.420721
  N      -1.981013      2.850476      6.412790
  C      -1.354060      2.267043      5.222172
  C      -2.409311      1.639700      4.313888
  C      -1.284801      4.023341      6.955129
  C      -1.579784      5.256545      6.103406
  N      -3.016002      5.395745      5.870782
  H      -1.932882      1.379708      3.349121
  H      -2.756830      0.681362      4.750621
  H      -0.859018      3.084914      4.678190
  H      -0.579559      1.520000      5.487148
  H      -1.197272      6.148008      6.633701
  H      -1.019156      5.202846      5.149004
  H      -1.676463      4.197727      7.967679
  H      -0.192982      3.852955      7.039058
  H      -4.055158      1.514756      8.748008
  H      -3.421700      3.164056      8.845324
  H      -2.641913      0.935566      6.895971
  H      -1.604782      1.659245      8.151770
  C      -4.350020      2.190176      2.941639
  C      -5.330495      1.045427      3.233232
  C      -6.309264      0.786264      2.067289
  C      -5.614773      0.419994      0.786097
  N      -5.530452      1.352715     -0.159013
  C      -4.843286      1.039018     -1.290019
  N      -4.230272     -0.091233     -1.578509
  C      -4.319434     -1.075720     -0.633357
  C      -3.698199     -2.324574     -0.879557
  C      -3.786047     -3.336543      0.053682
  C      -4.499607     -3.144304      1.260305
  C      -5.110482     -1.935311      1.526386
  C      -5.028266     -0.872098      0.591960
  C      -3.463927      6.775535      5.693918
  C      -3.194778      7.391401      4.308781
  C      -4.017673      6.777757      3.174707
  C      -5.508875      6.985125      3.282096
  N      -5.956016      7.893282      4.139482
  C      -7.302983      8.003504      4.294100
  N      -8.244051      7.286775      3.715722
  C      -7.810487      6.369266      2.796067
  C      -8.762327      5.557206      2.133625
  C      -8.349791      4.632380      1.196943
  C      -6.978932      4.489151      0.880672
  C      -6.031987      5.262499      1.522926
  C      -6.421744      6.204287      2.504436
  C      -6.091741      2.531484      7.560618
  C      -6.889033      3.809488      7.840463
  C      -8.398030      3.604150      8.007523
  C      -9.162238      3.360948      6.726210
  N      -8.482522      2.992827      5.650890
  C      -9.166523      2.827697      4.489993
  N     -10.459064      2.979623      4.286196
  C     -11.193418      3.338322      5.383307
  C     -12.592050      3.511549      5.242956
  C     -13.359186      3.866313      6.333338
  C     -12.760551      4.061437      7.600367
  C     -11.398146      3.905731      7.762480
  C     -10.583089      3.541965      6.661262
  H      -3.692662      1.910276      2.095489
  H      -4.929021      3.070704      2.630927
  H      -5.920262      1.318837      4.122381
  H      -4.780652      0.121626      3.470807
  H      -7.007562     -0.014076      2.355675
  H      -6.899306      1.694297      1.883795
  H      -4.799719      1.830904     -2.044349
  H      -3.162067     -2.454179     -1.820684
  H      -3.308173     -4.298738     -0.139141
  H      -4.567981     -3.960177      1.981664
  H      -5.663921     -1.798588      2.455631
  H      -4.540641      6.818211      5.892799
  H      -2.966792      7.408183      6.454388
  H      -2.125512      7.293810      4.060077
  H      -3.412005      8.467575      4.375605
  H      -3.680748      7.193619      2.208235
  H      -3.823409      5.694973      3.112787
  H      -7.631790      8.771560      5.002739
  H      -9.814109      5.679122      2.395835
  H      -9.087152      3.995982      0.703437
  H      -6.666865      3.737378      0.153478
  H      -4.975262      5.136190      1.283510
  H      -6.112454      1.877117      8.450737
  H      -6.595068      1.992645      6.743660
  H      -6.489987      4.297625      8.744657
  H      -6.719160      4.489324      6.993145
  H      -8.616394      2.776742      8.708532
  H      -8.823833      4.502800      8.480769
  H      -8.558688      2.542126      3.626262
  H     -13.027821      3.356028      4.254398
  H     -14.436627      3.999885      6.221845
  H     -13.382263      4.340044      8.452515
  H     -10.947192      4.058895      8.743392
  N      -5.561813      4.401412      4.960402
96
Coordinates from ORCA-job orca E -6203.180866809536
  N      -3.533850      2.575027      4.077790
  Mo     -4.129187      3.789027      5.545956
  N      -4.692216      2.781844      7.167749
  C      -3.673386      2.342673      8.118975
  C      -2.408776      1.870934      7.398736
  N      -1.981615      2.856369      6.398249
  C      -1.358793      2.281428      5.200741
  C      -2.416554      1.659022      4.292992
  C      -1.283155      4.023671      6.948483
  C      -1.578190      5.264177      6.107828
  N      -3.014071      5.406608      5.874289
  H      -1.943729      1.406686      3.324927
  H      -2.762676      0.698088      4.724856
  H      -0.868155      3.103372      4.659167
  H      -0.581014      1.534947      5.457200
  H      -1.195730      6.150451      6.646957
  H      -1.016135      5.219378      5.153822
  H      -1.672047      4.189693      7.963520
  H      -0.191315      3.851629      7.028154
  H      -4.053205      1.501417      8.724700
  H      -3.418288      3.149534      8.835446
  H      -2.642109      0.937929      6.865655
  H      -1.602913      1.650130      8.126950
  C      -4.363067      2.221461      2.930320
  C      -5.360653      1.092742      3.221201
  C      -6.318780      0.829801      2.040690
  C      -5.607642      0.430800      0.778738
  N      -5.490616      1.348867     -0.176648
  C      -4.790086      1.008824     -1.292178
  N      -4.190639     -0.135130     -1.554148
  C      -4.313529     -1.105403     -0.597357
  C      -3.710917     -2.368865     -0.815969
  C      -3.833954     -3.366658      0.128402
  C      -4.564519     -3.145409      1.319786
  C      -5.156990     -1.922143      1.559618
  C      -5.039714     -0.873111      0.612600
  C      -3.455732      6.789549      5.698247
  C      -3.175694      7.407072      4.316167
  C      -3.989914      6.794343      3.175198
  C      -5.481393      7.006851      3.271692
  N      -5.929619      7.920594      4.122530
  C      -7.276749      8.039386      4.266900
  N      -8.217737      7.324569      3.686415
  C      -7.783502      6.400342      2.774127
  C      -8.735960      5.590679      2.109455
  C      -8.323261      4.661115      1.177276
  C      -6.951725      4.511663      0.866767
  C      -6.004302      5.282585      1.512004
  C      -6.393858      6.228390      2.490087
  C      -6.087782      2.518638      7.546835
  C      -6.897510      3.785001      7.842573
  C      -8.402995      3.555268      8.007878
  C      -9.169312      3.330569      6.724130
  N      -8.491677      2.992833      5.636761
  C      -9.180091      2.847781      4.475268
  N     -10.475788      2.991230      4.282688
  C     -11.207961      3.316466      5.392352
  C     -12.609604      3.478667      5.265073
  C     -13.373053      3.801040      6.367758
  C     -12.768591      3.974058      7.634899
  C     -11.403882      3.828814      7.784781
  C     -10.591915      3.498575      6.670584
  H      -3.710605      1.935065      2.082835
  H      -4.930388      3.109314      2.621744
  H      -5.963506      1.386805      4.094967
  H      -4.825255      0.167653      3.485199
  H      -7.036886      0.046681      2.328956
  H      -6.888776      1.744358      1.828515
  H      -4.715616      1.791644     -2.054391
  H      -3.161352     -2.520976     -1.745904
  H      -3.370687     -4.339782     -0.043872
  H      -4.660563     -3.950084      2.050451
  H      -5.723704     -1.762355      2.477159
  H      -4.533614      6.837298      5.891302
  H      -2.959065      7.417214      6.463061
  H      -2.104352      7.310538      4.076662
  H      -3.394157      8.483114      4.382289
  H      -3.643803      7.208040      2.210978
  H      -3.798565      5.711068      3.116688
  H      -7.605697      8.812455      4.969714
  H      -9.788516      5.719500      2.365201
  H      -9.061072      4.028650      0.679543
  H      -6.637338      3.758211      0.141372
  H      -4.947927      5.151161      1.275995
  H      -6.101429      1.855752      8.430704
  H      -6.587591      1.983741      6.725559
  H      -6.504420      4.263171      8.754360
  H      -6.736772      4.479818      7.005670
  H      -8.605174      2.708205      8.690214
  H      -8.840639      4.435465      8.504150
  H      -8.573408      2.590228      3.601056
  H     -13.050699      3.340153      4.276805
  H     -14.452485      3.925800      6.265745
  H     -13.387473      4.227294      8.497063
  H     -10.948247      3.964304      8.766108
  N      -5.563698      4.419830      4.960908
96
Coordinates from ORCA-job orca E -6203.181043362998
  N      -3.525978      2.616591      4.058257
  Mo     -4.119905      3.813065      5.539173
  N      -4.676146      2.777935      7.145342
  C      -3.655061      2.333998      8.091723
  C      -2.388006      1.877090      7.366498
  N      -1.967322      2.877098      6.377383
  C      -1.346257      2.319998      5.170301
  C      -2.404417      1.703227      4.259606
  C      -1.270316      4.039099      6.940237
  C      -1.572283      5.289861      6.117348
  N      -3.008949      5.429804      5.886847
  H      -1.933803      1.464709      3.287321
  H      -2.745472      0.735982      4.681528
  H      -0.863471      3.151471      4.636378
  H      -0.562177      1.576194      5.414342
  H      -1.192627      6.170102      6.668261
  H      -1.011404      5.260942      5.162025
  H      -1.654933      4.190505      7.959260
  H      -0.177567      3.869635      7.012873
  H      -4.031114      1.484842      8.688813
  H      -3.404660      3.135392      8.815856
  H      -2.616165      0.949204      6.822677
  H      -1.580576      1.653232      8.091949
  C      -4.362965      2.273065      2.913679
  C      -5.380036      1.164402      3.211070
  C      -6.329003      0.898251      2.025193
  C      -5.616726      0.444672      0.783021
  N      -5.459614      1.334843     -0.192687
  C      -4.758333      0.945712     -1.291019
  N      -4.193086     -0.223110     -1.518140
  C      -4.358827     -1.165658     -0.539920
  C      -3.797308     -2.453876     -0.721099
  C      -3.964521     -3.423915      0.245352
  C      -4.699126     -3.149029      1.422863
  C      -5.251558     -1.900814      1.626592
  C      -5.089454     -0.880035      0.655607
  C      -3.454393      6.813777      5.726227
  C      -3.170171      7.448713      4.353184
  C      -3.969133      6.839443      3.199493
  C      -5.463583      7.037007      3.284436
  N      -5.928366      7.937219      4.140580
  C      -7.277952      8.044034      4.271693
  N      -8.206794      7.327524      3.673930
  C      -7.755228      6.416784      2.756685
  C      -8.694093      5.606688      2.073417
  C      -8.264387      4.692551      1.133198
  C      -6.888465      4.560485      0.832468
  C      -5.954203      5.330903      1.497855
  C      -6.361526      6.260503      2.484095
  C      -6.068861      2.486255      7.509905
  C      -6.898938      3.731451      7.837679
  C      -8.399941      3.466814      7.998078
  C      -9.165037      3.276698      6.707975
  N      -8.485029      2.977382      5.610995
  C      -9.171559      2.865684      4.444892
  N     -10.467521      3.007727      4.255588
  C     -11.202374      3.290851      5.374457
  C     -12.604682      3.446586      5.250540
  C     -13.372021      3.726947      6.361981
  C     -12.770181      3.863682      7.634875
  C     -11.404439      3.724570      7.781609
  C     -10.588720      3.436824      6.658460
  H      -3.717934      1.974758      2.064892
  H      -4.916119      3.169619      2.605095
  H      -5.987552      1.482062      4.073307
  H      -4.861123      0.236350      3.497901
  H      -7.074259      0.145091      2.325124
  H      -6.868176      1.823816      1.780764
  H      -4.650204      1.707219     -2.070692
  H      -3.243910     -2.647147     -1.641144
  H      -3.533182     -4.416106      0.101304
  H      -4.830184     -3.931796      2.171646
  H      -5.821796     -1.698719      2.533583
  H      -4.533045      6.855922      5.916043
  H      -2.961557      7.433256      6.500285
  H      -2.096091      7.367569      4.120757
  H      -3.401728      8.521372      4.430444
  H      -3.617480      7.264130      2.242118
  H      -3.768228      5.758312      3.134183
  H      -7.620440      8.807115      4.978850
  H      -9.750177      5.723790      2.320247
  H      -8.991929      4.060919      0.619474
  H      -6.559083      3.821095      0.098971
  H      -4.894424      5.211473      1.270394
  H      -6.076369      1.800366      8.376335
  H      -6.558384      1.965927      6.673501
  H      -6.515062      4.189597      8.763401
  H      -6.751652      4.453715      7.021804
  H      -8.581096      2.588543      8.646116
  H      -8.854019      4.316017      8.531449
  H      -8.562086      2.646272      3.562920
  H     -13.043235      3.336754      4.257567
  H     -14.452362      3.846503      6.262401
  H     -13.391835      4.084338      8.504140
  H     -10.951129      3.831935      8.767446
  N      -5.558691      4.443560      4.964013
96
Coordinates from ORCA-job orca E -6203.181159118672
  N      -3.511211      2.632171      4.050388
  Mo     -4.117081      3.818828      5.534186
  N      -4.671861      2.772112      7.132427
  C      -3.651286      2.332212      8.081643
  C      -2.379109      1.885335      7.359285
  N      -1.961976      2.890654      6.374071
  C      -1.334592      2.340541      5.166636
  C      -2.387419      1.722185      4.251181
  C      -1.272242      4.053933      6.943205
  C      -1.579137      5.306728      6.125847
  N      -3.016266      5.440152      5.892730
  H      -1.913236      1.489499      3.279218
  H      -2.725711      0.751444      4.667555
  H      -0.855311      3.176252      4.636328
  H      -0.546964      1.600642      5.410363
  H      -1.205352      6.186082      6.682234
  H      -1.016701      5.285855      5.171300
  H      -1.659242      4.199289      7.962229
  H      -0.178797      3.889813      7.017117
  H      -4.023945      1.478887      8.674868
  H      -3.408974      3.133120      8.809011
  H      -2.599092      0.957144      6.812601
  H      -1.572701      1.664992      8.087047
  C      -4.346996      2.288774      2.904825
  C      -5.371258      1.187300      3.205951
  C      -6.321774      0.922441      2.020610
  C      -5.612470      0.445107      0.785925
  N      -5.429372      1.324654     -0.195014
  C      -4.732946      0.910642     -1.287545
  N      -4.195196     -0.273170     -1.503945
  C      -4.385827     -1.203657     -0.518980
  C      -3.853081     -2.505594     -0.688006
  C      -4.044549     -3.463564      0.286095
  C      -4.775034     -3.161801      1.459477
  C      -5.299916     -1.899918      1.650991
  C      -5.113823     -0.891672      0.671398
  C      -3.466371      6.823069      5.737987
  C      -3.171489      7.469516      4.372893
  C      -3.957109      6.864893      3.208152
  C      -5.452186      7.062141      3.277929
  N      -5.926033      7.961201      4.130220
  C      -7.276886      8.070358      4.244419
  N      -8.199550      7.357512      3.632814
  C      -7.738109      6.446298      2.720921
  C      -8.669661      5.639710      2.023701
  C      -8.229556      4.726844      1.086987
  C      -6.850122      4.592485      0.804100
  C      -5.922953      5.358844      1.483381
  C      -6.341298      6.287207      2.466408
  C      -6.062972      2.467045      7.488096
  C      -6.900504      3.699873      7.841848
  C      -8.398214      3.416369      8.002314
  C      -9.165918      3.253894      6.709892
  N      -8.485940      2.987892      5.604038
  C      -9.173796      2.902140      4.436136
  N     -10.471708      3.038567      4.253793
  C     -11.206524      3.286624      5.381675
  C     -12.610724      3.434312      5.265568
  C     -13.377335      3.679526      6.385862
  C     -12.773163      3.787379      7.660189
  C     -11.405983      3.655325      7.799975
  C     -10.590846      3.404026      6.667881
  H      -3.702114      1.982918      2.058941
  H      -4.893993      3.187006      2.589755
  H      -5.976975      1.511859      4.067088
  H      -4.858479      0.256957      3.496827
  H      -7.078629      0.183781      2.327050
  H      -6.846141      1.853830      1.765214
  H      -4.604512      1.662714     -2.072919
  H      -3.301692     -2.718713     -1.604871
  H      -3.635591     -4.466453      0.151360
  H      -4.924725     -3.934594      2.215070
  H      -5.866027     -1.677291      2.555828
  H      -4.547145      6.857889      5.917107
  H      -2.984267      7.438810      6.521733
  H      -2.094945      7.394116      4.150081
  H      -3.408440      8.540481      4.455785
  H      -3.595595      7.292887      2.256050
  H      -3.754794      5.783943      3.141599
  H      -7.626847      8.832370      4.948982
  H      -9.728598      5.759212      2.256500
  H      -8.951216      4.099204      0.560633
  H      -6.513615      3.856608      0.071106
  H      -4.860532      5.238001      1.269507
  H      -6.068724      1.763065      8.339979
  H      -6.548618      1.961666      6.640749
  H      -6.518204      4.142109      8.775903
  H      -6.762781      4.440856      7.041117
  H      -8.565417      2.517217      8.625105
  H      -8.859267      4.243972      8.562872
  H      -8.564443      2.708828      3.547393
  H     -13.051451      3.347136      4.271477
  H     -14.458889      3.792955      6.292329
  H     -13.394262      3.980028      8.536553
  H     -10.951416      3.740169      8.787464
  N      -5.557554      4.441216      4.953645
96
Coordinates from ORCA-job orca E -6203.181230545304
  N      -3.511706      2.654840      4.044048
  Mo     -4.116391      3.830098      5.536912
  N      -4.660961      2.767328      7.127115
  C      -3.636286      2.324427      8.070437
  C      -2.364659      1.888644      7.340488
  N      -1.955323      2.903875      6.362093
  C      -1.329337      2.367035      5.147911
  C      -2.382286      1.749751      4.232018
  C      -1.268486      4.064655      6.939828
  C      -1.582354      5.323437      6.134829
  N      -3.020691      5.452902      5.905193
  H      -1.910664      1.527959      3.256073
  H      -2.712406      0.773188      4.641300
  H      -0.857698      3.210047      4.622181
  H      -0.536056      1.630019      5.382591
  H      -1.211573      6.199177      6.698774
  H      -1.021985      5.314239      5.178920
  H      -1.653535      4.199748      7.961005
  H      -0.174252      3.903865      7.009890
  H      -4.003883      1.464540      8.657372
  H      -3.395403      3.120091      8.803887
  H      -2.582003      0.963662      6.787355
  H      -1.554920      1.666148      8.063872
  C      -4.354636      2.315270      2.902546
  C      -5.379363      1.215598      3.209861
  C      -6.333733      0.947569      2.028221
  C      -5.629341      0.448015      0.799677
  N      -5.432988      1.314769     -0.189871
  C      -4.742574      0.878893     -1.278091
  N      -4.222596     -0.315003     -1.482246
  C      -4.425505     -1.231902     -0.487187
  C      -3.910118     -2.542689     -0.641987
  C      -4.113293     -3.486850      0.343018
  C      -4.838801     -3.161980      1.513527
  C      -5.347472     -1.891318      1.690819
  C      -5.148975     -0.896680      0.699790
  C      -3.475701      6.835312      5.760028
  C      -3.174553      7.493255      4.401645
  C      -3.943105      6.887743      3.225981
  C      -5.439878      7.076998      3.276839
  N      -5.930226      7.968782      4.127260
  C      -7.283090      8.073031      4.220400
  N      -8.193603      7.362380      3.588555
  C      -7.714791      6.458286      2.678628
  C      -8.632629      5.654680      1.960132
  C      -8.174602      4.750157      1.023849
  C      -6.790258      4.620274      0.764216
  C      -5.876139      5.382903      1.464816
  C      -6.313470      6.303793      2.446822
  C      -6.048588      2.443638      7.476377
  C      -6.899926      3.661700      7.847722
  C      -8.394363      3.355489      8.002257
  C      -9.162248      3.225777      6.705849
  N      -8.481024      2.992873      5.593484
  C      -9.168026      2.937590      4.423363
  N     -10.466345      3.074603      4.244329
  C     -11.202396      3.287741      5.378208
  C     -12.607197      3.431383      5.265809
  C     -13.375221      3.641683      6.392052
  C     -12.772145      3.716864      7.669260
  C     -11.404471      3.587398      7.805943
  C     -10.587710      3.371697      6.667565
  H      -3.715870      2.009280      2.051963
  H      -4.900964      3.215215      2.591789
  H      -5.982845      1.541933      4.071886
  H      -4.866465      0.285798      3.502363
  H      -7.098266      0.220966      2.344026
  H      -6.847969      1.881719      1.762583
  H      -4.602906      1.620081     -2.072137
  H      -3.361856     -2.773046     -1.556561
  H      -3.717584     -4.496518      0.219460
  H      -4.997492     -3.923867      2.278281
  H      -5.908863     -1.651231      2.594219
  H      -4.557879      6.863755      5.932172
  H      -3.001077      7.447029      6.551507
  H      -2.095401      7.429714      4.188333
  H      -3.422902      8.561283      4.489172
  H      -3.572245      7.319259      2.279051
  H      -3.733915      5.807844      3.159944
  H      -7.646743      8.829583      4.923902
  H      -9.695668      5.770421      2.175703
  H      -8.885299      4.125555      0.479149
  H      -6.442032      3.890921      0.030703
  H      -4.809656      5.265221      1.269550
  H      -6.049365      1.726465      8.317549
  H      -6.527961      1.946142      6.620770
  H      -6.524114      4.093382      8.789327
  H      -6.770834      4.417753      7.059410
  H      -8.547213      2.433183      8.594117
  H      -8.865067      4.156519      8.591942
  H      -8.557632      2.772019      3.529783
  H     -13.047817      3.369312      4.269708
  H     -14.457238      3.752259      6.301135
  H     -13.394468      3.881468      8.550392
  H     -10.951070      3.645754      8.795834
  N      -5.560666      4.450652      4.962859
96
Coordinates from ORCA-job orca E -6203.181271421437
  N      -3.501115      2.660947      4.042927
  Mo     -4.119436      3.832618      5.532009
  N      -4.668037      2.767253      7.119091
  C      -3.648158      2.336477      8.072896
  C      -2.370702      1.900437      7.353163
  N      -1.959838      2.912672      6.372797
  C      -1.327385      2.373699      5.163455
  C      -2.374557      1.754243      4.242021
  C      -1.277430      4.076619      6.949348
  C      -1.592317      5.332853      6.140378
  N      -3.030580      5.458659      5.907890
  H      -1.896163      1.528471      3.270152
  H      -2.709893      0.779330      4.651278
  H      -0.853258      3.215842      4.638213
  H      -0.534630      1.637964      5.404078
  H      -1.224423      6.210962      6.702546
  H      -1.030114      5.321488      5.185607
  H      -1.664499      4.213542      7.969489
  H      -0.182904      3.918890      7.021994
  H      -4.016387      1.479909      8.664282
  H      -3.414494      3.138806      8.801306
  H      -2.581805      0.971809      6.803548
  H      -1.564260      1.684475      8.082177
  C      -4.333109      2.318993      2.893627
  C      -5.362465      1.221489      3.193000
  C      -6.318685      0.963197      2.010358
  C      -5.617419      0.453996      0.783298
  N      -5.407132      1.316761     -0.207605
  C      -4.721824      0.869435     -1.294207
  N      -4.219227     -0.332110     -1.496660
  C      -4.435389     -1.244221     -0.500535
  C      -3.937874     -2.561901     -0.653376
  C      -4.153815     -3.501690      0.333083
  C      -4.874958     -3.165255      1.503040
  C      -5.366875     -1.887565      1.678082
  C      -5.154832     -0.897191      0.685638
  C      -3.487098      6.840052      5.761094
  C      -3.172689      7.502287      4.407897
  C      -3.926375      6.896130      3.223713
  C      -5.423578      7.083739      3.259562
  N      -5.922815      7.974570      4.105760
  C      -7.276718      8.077406      4.185834
  N      -8.180310      7.365561      3.545527
  C      -7.691740      6.459212      2.642929
  C      -8.601522      5.649892      1.920655
  C      -8.133468      4.741855      0.993016
  C      -6.746804      4.615122      0.744956
  C      -5.840555      5.384482      1.448131
  C      -6.288186      6.307093      2.423740
  C      -6.057078      2.442627      7.461596
  C      -6.906427      3.656151      7.852342
  C      -8.398296      3.341962      8.019516
  C      -9.175641      3.223231      6.728145
  N      -8.499263      3.005979      5.610006
  C      -9.192235      2.957328      4.443412
  N     -10.492292      3.089531      4.272641
  C     -11.223266      3.287100      5.412700
  C     -12.629320      3.424957      5.309319
  C     -13.392555      3.618118      6.442119
  C     -12.782939      3.681935      7.716899
  C     -11.413712      3.558602      7.844903
  C     -10.602131      3.360313      6.699856
  H      -3.684956      2.006186      2.052628
  H      -4.873235      3.218767      2.570861
  H      -5.963301      1.543391      4.058379
  H      -4.852288      0.287892      3.478251
  H      -7.091955      0.246203      2.326115
  H      -6.821511      1.903047      1.743207
  H      -4.570569      1.607509     -2.088653
  H      -3.392356     -2.800766     -1.567373
  H      -3.771629     -4.516746      0.211080
  H      -5.043666     -3.923695      2.269105
  H      -5.924689     -1.638475      2.581162
  H      -4.571123      6.864665      5.922038
  H      -3.022453      7.451323      6.558836
  H      -2.091038      7.442919      4.206065
  H      -3.426058      8.569082      4.495115
  H      -3.545958      7.328144      2.280862
  H      -3.714579      5.816618      3.160299
  H      -7.648093      8.833431      4.885937
  H      -9.666512      5.763027      2.127861
  H      -8.837812      4.111325      0.447020
  H      -6.390392      3.882520      0.018485
  H      -4.772062      5.270150      1.260920
  H      -6.062551      1.711609      8.290849
  H      -6.537246      1.960874      6.597320
  H      -6.522415      4.081195      8.793858
  H      -6.786916      4.418252      7.068499
  H      -8.539281      2.410684      8.600286
  H      -8.867970      4.131432      8.625585
  H      -8.585518      2.802804      3.545498
  H     -13.074826      3.372514      4.314750
  H     -14.475616      3.723845      6.358371
  H     -13.401378      3.832727      8.603165
  H     -10.955364      3.608441      8.833043
  N      -5.562989      4.447186      4.949370
96
Coordinates from ORCA-job orca E -6203.181316827016
  N      -3.508242      2.677511      4.036704
  Mo     -4.119470      3.847914      5.529405
  N      -4.665603      2.776198      7.112818
  C      -3.644297      2.339606      8.062616
  C      -2.369002      1.905032      7.337899
  N      -1.959050      2.921638      6.361585
  C      -1.329801      2.388247      5.147982
  C      -2.379201      1.772211      4.226328
  C      -1.273838      4.081423      6.943457
  C      -1.588470      5.342342      6.142215
  N      -3.027070      5.470541      5.912553
  H      -1.903518      1.552304      3.251838
  H      -2.710678      0.794409      4.631846
  H      -0.857306      3.233003      4.625488
  H      -0.536338      1.651371      5.382610
  H      -1.219400      6.216995      6.709035
  H      -1.027546      5.336247      5.186702
  H      -1.659438      4.213192      7.964839
  H      -0.179513      3.921522      7.013877
  H      -4.012460      1.480539      8.650278
  H      -3.407854      3.137681      8.794679
  H      -2.582841      0.979447      6.784236
  H      -1.560923      1.684182      8.063673
  C      -4.350235      2.335301      2.894040
  C      -5.372091      1.233618      3.202558
  C      -6.334747      0.967267      2.026635
  C      -5.640876      0.447937      0.799759
  N      -5.433987      1.303538     -0.198027
  C      -4.755236      0.846984     -1.285288
  N      -4.258483     -0.357705     -1.482788
  C      -4.471502     -1.262493     -0.479320
  C      -3.979290     -2.582794     -0.626560
  C      -4.191877     -3.515162      0.367594
  C      -4.904541     -3.168420      1.539788
  C      -5.391266     -1.888063      1.709400
  C      -5.182278     -0.905141      0.709033
  C      -3.483355      6.853183      5.777536
  C      -3.162515      7.527753      4.432026
  C      -3.901868      6.923044      3.238655
  C      -5.400100      7.102839      3.259484
  N      -5.914580      7.984267      4.106245
  C      -7.269942      8.078535      4.170268
  N      -8.161618      7.366004      3.514092
  C      -7.656965      6.468447      2.611589
  C      -8.552604      5.657523      1.873272
  C      -8.066943      4.758910      0.945401
  C      -6.676883      4.643440      0.712918
  C      -5.784469      5.414439      1.431195
  C      -6.250019      6.327335      2.407705
  C      -6.052597      2.440003      7.451190
  C      -6.913991      3.642684      7.847921
  C      -8.401158      3.305707      8.012921
  C      -9.181315      3.205574      6.721618
  N      -8.506536      3.014038      5.597653
  C      -9.202445      2.983465      4.431797
  N     -10.504510      3.108455      4.268014
  C     -11.233708      3.277777      5.414152
  C     -12.641835      3.404751      5.319091
  C     -13.402146      3.569815      6.458176
  C     -12.788376      3.615363      7.731620
  C     -11.417801      3.501722      7.852010
  C     -10.608720      3.332196      6.700410
  H      -3.710072      2.026538      2.045481
  H      -4.896510      3.234038      2.579150
  H      -5.970019      1.553902      4.070697
  H      -4.855414      0.303414      3.487047
  H      -7.106717      0.253356      2.352297
  H      -6.838693      1.905081      1.755649
  H      -4.605651      1.578566     -2.086171
  H      -3.440412     -2.829391     -1.542405
  H      -3.813773     -4.532250      0.250187
  H      -5.070891     -3.921218      2.311895
  H      -5.942736     -1.631462      2.614277
  H      -4.568310      6.875725      5.932582
  H      -3.023281      7.457254      6.583247
  H      -2.078876      7.478165      4.238277
  H      -3.425104      8.591805      4.524698
  H      -3.514251      7.359274      2.300723
  H      -3.684074      5.844641      3.174352
  H      -7.654252      8.827194      4.871311
  H      -9.620760      5.761954      2.068627
  H      -8.759296      4.126891      0.386075
  H      -6.308825      3.914799     -0.011408
  H      -4.713148      5.308859      1.256799
  H      -6.054092      1.703911      8.275865
  H      -6.528370      1.959235      6.583635
  H      -6.534907      4.068087      8.791145
  H      -6.803707      4.409126      7.066960
  H      -8.525578      2.357561      8.569874
  H      -8.879981      4.072314      8.640515
  H      -8.597365      2.850944      3.528615
  H     -13.091975      3.366405      4.326118
  H     -14.486419      3.667279      6.380482
  H     -13.404668      3.743751      8.622852
  H     -10.956189      3.536102      8.839293
  N      -5.561717      4.467678      4.948259
96
Coordinates from ORCA-job orca E -6203.181332233489
  N      -3.519895      2.685300      4.033007
  Mo     -4.128002      3.850396      5.531135
  N      -4.668914      2.772627      7.112994
  C      -3.645164      2.331150      8.057607
  C      -2.371642      1.900882      7.327473
  N      -1.964533      2.922764      6.355291
  C      -1.338034      2.396089      5.137515
  C      -2.389103      1.781153      4.217598
  C      -1.279732      4.080494      6.941647
  C      -1.597204      5.345066      6.147423
  N      -3.036096      5.472531      5.919398
  H      -1.915763      1.564111      3.241582
  H      -2.717721      0.802280      4.622565
  H      -0.870135      3.244186      4.616661
  H      -0.541948      1.660259      5.366135
  H      -1.228951      6.217342      6.718338
  H      -1.037119      5.345085      5.191412
  H      -1.664101      4.206484      7.964191
  H      -0.185145      3.921433      7.009682
  H      -4.011921      1.468968      8.641711
  H      -3.407108      3.125477      8.793234
  H      -2.586829      0.978210      6.769659
  H      -1.561358      1.676510      8.049705
  C      -4.362929      2.344651      2.891307
  C      -5.384402      1.242748      3.199890
  C      -6.344901      0.974842      2.022654
  C      -5.648893      0.453855      0.797720
  N      -5.438630      1.308094     -0.199949
  C      -4.755592      0.850480     -1.284127
  N      -4.257821     -0.354163     -1.478595
  C      -4.475164     -1.258256     -0.475115
  C      -3.983209     -2.579259     -0.618965
  C      -4.200129     -3.510348      0.375339
  C      -4.916932     -3.161852      1.544514
  C      -5.403295     -1.881033      1.711194
  C      -5.190153     -0.899361      0.710272
  C      -3.494019      6.855284      5.789507
  C      -3.164774      7.537431      4.449720
  C      -3.886761      6.930258      3.246695
  C      -5.386742      7.098449      3.250203
  N      -5.918335      7.975076      4.091250
  C      -7.275006      8.060677      4.136908
  N      -8.153167      7.343930      3.467325
  C      -7.630707      6.451998      2.569659
  C      -8.511327      5.638513      1.816034
  C      -8.007082      4.745425      0.892272
  C      -6.612918      4.637562      0.680165
  C      -5.735396      5.410976      1.414061
  C      -6.220171      6.319875      2.384887
  C      -6.054670      2.436819      7.455807
  C      -6.913969      3.640487      7.854336
  C      -8.400812      3.304619      8.024000
  C      -9.187227      3.211206      6.735661
  N      -8.518250      3.031722      5.606216
  C      -9.221081      3.006159      4.444522
  N     -10.524469      3.124746      4.289331
  C     -11.247416      3.281368      5.440667
  C     -12.656583      3.399386      5.354767
  C     -13.411200      3.551707      6.499210
  C     -12.790537      3.592603      7.769500
  C     -11.418660      3.486850      7.881059
  C     -10.615318      3.330756      6.723466
  H      -3.723961      2.038737      2.040657
  H      -4.910532      3.243530      2.579995
  H      -5.984182      1.564417      4.066228
  H      -4.868538      0.312584      3.486050
  H      -7.117496      0.260837      2.347393
  H      -6.848994      1.912317      1.749549
  H      -4.601157      1.581730     -2.084635
  H      -3.441185     -2.827385     -1.532573
  H      -3.822223     -4.527818      0.260540
  H      -5.086740     -3.913846      2.316659
  H      -5.958473     -1.622883      2.613405
  H      -4.579975      6.875797      5.937103
  H      -3.040143      7.455571      6.601770
  H      -2.078963      7.497029      4.267148
  H      -3.436442      8.599262      4.543200
  H      -3.491564      7.370779      2.313855
  H      -3.660341      5.853506      3.182447
  H      -7.673464      8.806268      4.833192
  H      -9.582848      5.737307      1.995649
  H      -8.687549      4.112151      0.319565
  H      -6.230759      3.910068     -0.038072
  H      -4.661028      5.310326      1.256519
  H      -6.053856      1.700983      8.280795
  H      -6.533510      1.956249      6.589868
  H      -6.531193      4.066533      8.795491
  H      -6.805057      4.405484      7.071784
  H      -8.523718      2.353859      8.576798
  H      -8.876408      4.068271      8.657293
  H      -8.621417      2.883484      3.537066
  H     -13.112723      3.363967      4.364471
  H     -14.496581      3.642433      6.428305
  H     -13.402551      3.710895      8.665195
  H     -10.951286      3.516928      8.865699
  N      -5.571372      4.472773      4.955701
96
Coordinates from ORCA-job orca E -6203.181345369951
  N      -3.512566      2.674870      4.040730
  Mo     -4.124609      3.848163      5.530532
  N      -4.672083      2.779394      7.116359
  C      -3.652107      2.343344      8.067460
  C      -2.376884      1.906271      7.344418
  N      -1.965155      2.921607      6.367401
  C      -1.335278      2.386302      5.155248
  C      -2.384350      1.769188      4.234213
  C      -1.280434      4.081921      6.948576
  C      -1.594049      5.342364      6.146068
  N      -3.032229      5.470882      5.914419
  H      -1.907788      1.546882      3.260860
  H      -2.717099      0.792966      4.642191
  H      -0.862404      3.229917      4.631461
  H      -0.542257      1.649501      5.391621
  H      -1.225424      6.217232      6.712776
  H      -1.031816      5.335715      5.191311
  H      -1.667098      4.214524      7.969428
  H      -0.186184      3.921915      7.020167
  H      -4.022088      1.486196      8.656891
  H      -3.415145      3.142965      8.797696
  H      -2.592013      0.980707      6.791458
  H      -1.569310      1.685106      8.070603
  C      -4.350304      2.333650      2.895406
  C      -5.375721      1.233873      3.198531
  C      -6.334321      0.973811      2.018312
  C      -5.637640      0.455755      0.792551
  N      -5.422386      1.313449     -0.201188
  C      -4.740663      0.857888     -1.286722
  N      -4.248116     -0.348209     -1.486144
  C      -4.470942     -1.255928     -0.487113
  C      -3.985676     -2.578663     -0.636854
  C      -4.208269     -3.513417      0.352805
  C      -4.924010     -3.166894      1.523142
  C      -5.404010     -1.884404      1.695468
  C      -5.185299     -0.899210      0.699266
  C      -3.488099      6.853776      5.779449
  C      -3.159478      7.532473      4.437879
  C      -3.885482      6.925915      3.236899
  C      -5.385175      7.097606      3.244323
  N      -5.912192      7.975776      4.086651
  C      -7.268520      8.065806      4.134990
  N      -8.150329      7.352657      3.466287
  C      -7.632550      6.459147      2.567470
  C      -8.517426      5.650104      1.813918
  C      -8.017987      4.756615      0.887928
  C      -6.624538      4.643222      0.674154
  C      -5.743139      5.411764      1.408585
  C      -6.222792      6.321620      2.380877
  C      -6.059447      2.448607      7.457047
  C      -6.915738      3.655938      7.851390
  C      -8.402543      3.322699      8.025686
  C      -9.191212      3.220241      6.739772
  N      -8.523654      3.042605      5.609268
  C      -9.229478      3.007503      4.449644
  N     -10.534106      3.116340      4.297311
  C     -11.255245      3.271351      5.450000
  C     -12.665464      3.378967      5.367605
  C     -13.418127      3.529142      6.513743
  C     -12.794331      3.578676      7.782219
  C     -11.421328      3.483372      7.890299
  C     -10.620166      3.329200      6.730970
  H      -3.707590      2.026612      2.048032
  H      -4.895103      3.233092      2.581157
  H      -5.976450      1.555321      4.064221
  H      -4.863700      0.300941      3.482952
  H      -7.109783      0.261028      2.338497
  H      -6.834822      1.914219      1.748439
  H      -4.583023      1.592347     -2.083527
  H      -3.444215     -2.825215     -1.551246
  H      -3.835506     -4.532258      0.233405
  H      -5.098024     -3.921594      2.291700
  H      -5.958185     -1.627394      2.598625
  H      -4.573796      6.876288      5.928158
  H      -3.032451      7.455700      6.589558
  H      -2.074060      7.489314      4.253387
  H      -3.428536      8.595057      4.530308
  H      -3.491734      7.365880      2.303247
  H      -3.661403      5.848804      3.172101
  H      -7.663232      8.812569      4.832221
  H      -9.588312      5.753383      1.994820
  H      -8.701517      4.127393      0.314477
  H      -6.245300      3.914927     -0.044864
  H      -4.669471      5.306227      1.249738
  H      -6.062250      1.714607      8.283713
  H      -6.538178      1.967341      6.591298
  H      -6.530639      4.085860      8.789912
  H      -6.806753      4.416726      7.064720
  H      -8.525127      2.375920      8.585339
  H      -8.876719      4.090953      8.654629
  H      -8.630931      2.886592      3.540990
  H     -13.124308      3.337723      4.378733
  H     -14.504341      3.611583      6.445500
  H     -13.404707      3.695544      8.679175
  H     -10.951252      3.520775      8.873435
  N      -5.565612      4.468201      4.946891
96
Coordinates from ORCA-job orca E -6203.181351913980
  N      -3.515804      2.682142      4.035924
  Mo     -4.124702      3.855584      5.527586
  N      -4.675338      2.784447      7.110930
  C      -3.655803      2.347353      8.062216
  C      -2.381411      1.907326      7.339382
  N      -1.967287      2.922224      6.363059
  C      -1.339019      2.385898      5.150589
  C      -2.390015      1.772989      4.228593
  C      -1.279029      4.080292      6.944586
  C      -1.589953      5.342185      6.143115
  N      -3.028005      5.474485      5.913504
  H      -1.914132      1.550171      3.254885
  H      -2.726078      0.797422      4.635524
  H      -0.862397      3.228241      4.627904
  H      -0.548939      1.645791      5.386699
  H      -1.218377      6.215760      6.710023
  H      -1.028692      5.334549      5.187765
  H      -1.664373      4.213149      7.965928
  H      -0.185117      3.917417      7.014954
  H      -4.027147      1.491857      8.652991
  H      -3.416595      3.147481      8.791137
  H      -2.598683      0.982464      6.785995
  H      -1.574458      1.684155      8.065605
  C      -4.355117      2.342910      2.890721
  C      -5.382632      1.244755      3.192210
  C      -6.336369      0.982884      2.008455
  C      -5.635868      0.456983      0.788162
  N      -5.413532      1.308453     -0.209711
  C      -4.729825      0.844673     -1.290226
  N      -4.241252     -0.364463     -1.481362
  C      -4.471668     -1.266046     -0.478546
  C      -3.991452     -2.591355     -0.620045
  C      -4.221650     -3.520351      0.373347
  C      -4.940122     -3.165174      1.539321
  C      -5.415460     -1.879876      1.703513
  C      -5.188961     -0.900529      0.703350
  C      -3.480562      6.858483      5.780656
  C      -3.149402      7.539144      4.440933
  C      -3.873918      6.934183      3.238496
  C      -5.373585      7.105133      3.245806
  N      -5.901120      7.979810      4.091374
  C      -7.257561      8.067140      4.141217
  N      -8.138704      7.354517      3.470975
  C      -7.620312      6.464792      2.568766
  C      -8.504406      5.656543      1.813360
  C      -8.004320      4.766889      0.884294
  C      -6.611015      4.656528      0.668962
  C      -5.730399      5.424821      1.404655
  C      -6.210534      6.330227      2.380783
  C      -6.063099      2.451912      7.449356
  C      -6.919925      3.657632      7.847527
  C      -8.405711      3.322061      8.024096
  C      -9.195792      3.217231      6.739835
  N      -8.528751      3.046933      5.607951
  C      -9.236644      3.009165      4.449566
  N     -10.542465      3.108715      4.299807
  C     -11.262810      3.256408      5.454257
  C     -12.674056      3.355166      5.375018
  C     -13.425328      3.497962      6.523167
  C     -12.799132      3.549381      7.790386
  C     -11.425221      3.463136      7.895378
  C     -10.625533      3.315984      6.734112
  H      -3.713179      2.035372      2.043120
  H      -4.898897      3.243517      2.577604
  H      -5.986897      1.569849      4.054087
  H      -4.872921      0.311978      3.481165
  H      -7.114914      0.273558      2.328226
  H      -6.833386      1.923412      1.733524
  H      -4.566829      1.574573     -2.090089
  H      -3.447671     -2.844647     -1.531198
  H      -3.852801     -4.541337      0.260353
  H      -5.119965     -3.915311      2.311007
  H      -5.971417     -1.616077      2.603552
  H      -4.566346      6.882870      5.928330
  H      -3.024356      7.457625      6.592492
  H      -2.063611      7.496660      4.257817
  H      -3.418913      8.601473      4.534496
  H      -3.480262      7.376678      2.306082
  H      -3.648490      5.857531      3.171704
  H      -7.653098      8.810623      4.841546
  H      -9.575264      5.757216      1.995821
  H      -8.686953      4.138121      0.309430
  H      -6.231200      3.930357     -0.051823
  H      -4.656824      5.322078      1.243849
  H      -6.065911      1.714793      8.273112
  H      -6.541227      1.973046      6.581597
  H      -6.533374      4.087165      8.785755
  H      -6.813112      4.418781      7.060928
  H      -8.526221      2.374975      8.583760
  H      -8.880415      4.089678      8.653731
  H      -8.638633      2.893773      3.539408
  H     -13.135012      3.313843      4.387109
  H     -14.512182      3.573339      6.457395
  H     -13.408293      3.660851      8.688764
  H     -10.953165      3.502889      8.877546
  N      -5.563994      4.479827      4.944432
96
Coordinates from ORCA-job orca E -6203.181359739176
  N      -3.514547      2.682105      4.036393
  Mo     -4.124168      3.857365      5.526483
  N      -4.679434      2.788168      7.109788
  C      -3.661808      2.350673      8.062999
  C      -2.387090      1.907693      7.342679
  N      -1.969515      2.920858      6.365935
  C      -1.340632      2.381940      5.154839
  C      -2.391862      1.770071      4.232748
  C      -1.280083      4.078255      6.947346
  C      -1.588031      5.339997      6.144553
  N      -3.025607      5.474650      5.913250
  H      -1.915199      1.543931      3.260244
  H      -2.731227      0.796398      4.641391
  H      -0.861741      3.222629      4.631693
  H      -0.552403      1.640538      5.392802
  H      -1.215439      6.213324      6.711173
  H      -1.025788      5.330593      5.189812
  H      -1.666385      4.212571      7.968131
  H      -0.186523      3.913616      7.019046
  H      -4.035355      1.496750      8.654689
  H      -3.422362      3.151654      8.790935
  H      -2.605283      0.982760      6.789793
  H      -1.581712      1.683839      8.070423
  C      -4.352191      2.344165      2.889799
  C      -5.382808      1.248681      3.190621
  C      -6.335612      0.988130      2.005642
  C      -5.635572      0.460602      0.785869
  N      -5.410840      1.310735     -0.212559
  C      -4.728738      0.844264     -1.292899
  N      -4.243550     -0.366355     -1.483371
  C      -4.475877     -1.266399     -0.479678
  C      -3.999152     -2.593055     -0.620200
  C      -4.231176     -3.520543      0.374268
  C      -4.947894     -3.162350      1.540373
  C      -5.419933     -1.875719      1.703531
  C      -5.191747     -0.898023      0.702186
  C      -3.475423      6.859343      5.778730
  C      -3.140543      7.538644      4.439366
  C      -3.863953      6.934808      3.235628
  C      -5.363314      7.108590      3.239871
  N      -5.890653      7.986556      4.082130
  C      -7.246962      8.077559      4.128454
  N      -8.128330      7.366275      3.457073
  C      -7.610025      6.473688      2.557703
  C      -8.494475      5.667941      1.800072
  C      -7.994514      4.775377      0.873737
  C      -6.600812      4.659143      0.663663
  C      -5.719957      5.424931      1.401710
  C      -6.200087      6.333975      2.374450
  C      -6.068096      2.459168      7.447426
  C      -6.921871      3.667224      7.845115
  C      -8.407717      3.335014      8.025032
  C      -9.199733      3.224058      6.742513
  N      -8.534137      3.064284      5.608291
  C      -9.245141      3.020596      4.451853
  N     -10.552455      3.104987      4.306235
  C     -11.270948      3.242575      5.463211
  C     -12.683424      3.326284      5.388589
  C     -13.432605      3.459077      6.539323
  C     -12.803049      3.515100      7.804613
  C     -11.427946      3.443368      7.905154
  C     -10.630492      3.306824      6.741196
  H      -3.709683      2.035596      2.043063
  H      -4.894013      3.245831      2.576066
  H      -5.987868      1.577255      4.050665
  H      -4.876680      0.314696      3.481847
  H      -7.115470      0.279809      2.324675
  H      -6.831005      1.929609      1.730616
  H      -4.564505      1.573251     -2.093282
  H      -3.456510     -2.848658     -1.531396
  H      -3.865173     -4.542641      0.262011
  H      -5.128991     -3.911240      2.312996
  H      -5.974287     -1.609308      2.603766
  H      -4.561472      6.885918      5.924267
  H      -3.019613      7.457947      6.591233
  H      -2.054525      7.493921      4.258183
  H      -3.408070      8.601570      4.532069
  H      -3.467821      7.377001      2.304090
  H      -3.640222      5.857800      3.168910
  H      -7.642286      8.822954      4.826833
  H      -9.565582      5.773351      1.978445
  H      -8.677458      4.149117      0.296546
  H      -6.220729      3.930980     -0.054776
  H      -4.646132      5.317323      1.245038
  H      -6.072952      1.722061      8.271199
  H      -6.546854      1.981246      6.579552
  H      -6.532590      4.097550      8.781764
  H      -6.814953      4.426571      7.056871
  H      -8.529564      2.391442      8.590304
  H      -8.880951      4.107094      8.650527
  H      -8.648588      2.914053      3.539632
  H     -13.147249      3.282006      4.402205
  H     -14.520442      3.522896      6.477075
  H     -13.410608      3.618800      8.705080
  H     -10.953016      3.487113      8.885786
  N      -5.561493      4.482407      4.939725
96
Coordinates from ORCA-job orca E -6203.181376514168
  N      -3.514214      2.687043      4.036288
  Mo     -4.121333      3.867617      5.522889
  N      -4.688553      2.801621      7.104839
  C      -3.676175      2.361789      8.062718
  C      -2.401523      1.909855      7.348016
  N      -1.974502      2.918814      6.370937
  C      -1.346182      2.373681      5.162062
  C      -2.399300      1.766910      4.239387
  C      -1.279464      4.072687      6.952411
  C      -1.578691      5.335345      6.147759
  N      -3.014939      5.478313      5.913306
  H      -1.922046      1.533986      3.268832
  H      -2.747769      0.797523      4.650321
  H      -0.860877      3.210120      4.638161
  H      -0.563162      1.627810      5.403237
  H      -1.201773      6.206952      6.714136
  H      -1.014630      5.321454      5.194196
  H      -1.666393      4.210331      7.972485
  H      -0.186939      3.901924      7.025797
  H      -4.056307      1.512404      8.656770
  H      -3.434484      3.164521      8.788042
  H      -2.623306      0.985360      6.795877
  H      -1.600193      1.682763      8.079197
  C      -4.349634      2.353903      2.887307
  C      -5.392485      1.269525      3.187279
  C      -6.341673      1.013798      1.998292
  C      -5.643019      0.473745      0.783472
  N      -5.406998      1.316368     -0.218513
  C      -4.728576      0.837291     -1.295677
  N      -4.255648     -0.379224     -1.479490
  C      -4.497515     -1.271100     -0.470821
  C      -4.032928     -2.602989     -0.603134
  C      -4.274961     -3.522611      0.396259
  C      -4.989863     -3.151133      1.559364
  C      -5.450177     -1.859287      1.714529
  C      -5.211533     -0.889375      0.708008
  C      -3.456933      6.865477      5.777340
  C      -3.113223      7.543168      4.439537
  C      -3.831326      6.942344      3.230882
  C      -5.330205      7.119917      3.225828
  N      -5.860608      7.998834      4.065102
  C      -7.216949      8.093952      4.102381
  N      -8.095847      7.387304      3.423089
  C      -7.574110      6.494809      2.525668
  C      -8.456116      5.695371      1.758748
  C      -7.953095      4.802119      0.834761
  C      -6.558234      4.679059      0.636262
  C      -5.679667      5.439163      1.383216
  C      -6.163328      6.348940      2.353585
  C      -6.079523      2.480227      7.438654
  C      -6.927346      3.692103      7.837422
  C      -8.412864      3.365420      8.024078
  C      -9.209232      3.239454      6.745487
  N      -8.547521      3.114572      5.604753
  C      -9.266102      3.054726      4.453409
  N     -10.576787      3.092143      4.318884
  C     -11.290239      3.195785      5.482794
  C     -12.705298      3.231100      5.420606
  C     -13.448730      3.330111      6.578497
  C     -12.810827      3.398811      7.838833
  C     -11.433235      3.373223      7.927439
  C     -10.641905      3.272478      6.755925
  H      -3.706657      2.038130      2.043562
  H      -4.882407      3.259762      2.569983
  H      -5.998925      1.609272      4.042042
  H      -4.898019      0.331990      3.486560
  H      -7.130312      0.314487      2.316319
  H      -6.826245      1.959343      1.717564
  H      -4.557091      1.560806     -2.099613
  H      -3.491313     -2.868952     -1.511966
  H      -3.918606     -4.548783      0.290121
  H      -5.179011     -3.893891      2.335982
  H      -6.003018     -1.582071      2.612415
  H      -4.543404      6.898151      5.919130
  H      -3.000543      7.461388      6.591596
  H      -2.026429      7.495745      4.264111
  H      -3.378245      8.606855      4.531212
  H      -3.428689      7.385808      2.302633
  H      -3.609415      5.865015      3.163244
  H      -7.614771      8.838706      4.799949
  H      -9.528085      5.806637      1.928184
  H      -8.634135      4.181329      0.249532
  H      -6.175086      3.952317     -0.081836
  H      -4.605026      5.325845      1.234816
  H      -6.089796      1.741043      8.260664
  H      -6.558432      2.006419      6.568794
  H      -6.532498      4.122048      8.771789
  H      -6.820668      4.449501      7.047271
  H      -8.536451      2.430118      8.602536
  H      -8.884396      4.146604      8.640125
  H      -8.673215      2.976823      3.535800
  H     -13.176366      3.178196      4.438140
  H     -14.538612      3.356905      6.525631
  H     -13.413945      3.475496      8.745048
  H     -10.951240      3.427154      8.904143
  N      -5.553231      4.498677      4.930252
96
Coordinates from ORCA-job orca E -6203.181404577129
  N      -3.510921      2.697621      4.035238
  Mo     -4.115850      3.883037      5.519254
  N      -4.699677      2.820298      7.097665
  C      -3.694194      2.375400      8.060657
  C      -2.419778      1.912764      7.352480
  N      -1.979927      2.917327      6.376479
  C      -1.351166      2.365815      5.170549
  C      -2.405997      1.767146      4.245011
  C      -1.278089      4.065819      6.960294
  C      -1.564745      5.330444      6.154243
  N      -2.999005      5.484681      5.914594
  H      -1.927386      1.527318      3.276814
  H      -2.765604      0.802249      4.656807
  H      -0.856480      3.197521      4.647998
  H      -0.575786      1.613329      5.415802
  H      -1.182754      6.199372      6.721289
  H      -0.997690      5.311418      5.202549
  H      -1.667442      4.206643      7.978985
  H      -0.187183      3.886634      7.037400
  H      -4.082829      1.530303      8.655400
  H      -3.449581      3.178208      8.784873
  H      -2.645846      0.989402      6.800210
  H      -1.624041      1.680446      8.088100
  C      -4.346034      2.370395      2.884582
  C      -5.401872      1.299143      3.187177
  C      -6.350552      1.045969      1.996992
  C      -5.657304      0.487864      0.787674
  N      -5.410273      1.318562     -0.221455
  C      -4.740969      0.820327     -1.295820
  N      -4.285303     -0.404170     -1.469869
  C      -4.536556     -1.283230     -0.452460
  C      -4.089353     -2.622216     -0.573236
  C      -4.341562     -3.529371      0.434999
  C      -5.049952     -3.138070      1.595677
  C      -5.493515     -1.839037      1.739468
  C      -5.243692     -0.881486      0.723912
  C      -3.428704      6.875294      5.773763
  C      -3.071182      7.547328      4.436828
  C      -3.786742      6.951407      3.224131
  C      -5.283769      7.143198      3.208678
  N      -5.810840      8.030789      4.040870
  C      -7.166263      8.141313      4.067403
  N      -8.047720      7.443967      3.381964
  C      -7.529003      6.543386      2.490963
  C      -8.414186      5.754389      1.717089
  C      -7.914651      4.852903      0.799323
  C      -6.519711      4.711218      0.614156
  C      -5.638008      5.460702      1.368239
  C      -6.118620      6.379052      2.332052
  C      -6.093672      2.506774      7.424842
  C      -6.935497      3.722017      7.825530
  C      -8.420603      3.400891      8.016667
  C      -9.218508      3.253841      6.741139
  N      -8.560931      3.179043      5.594088
  C      -9.285296      3.096975      4.447365
  N     -10.597229      3.069058      4.323405
  C     -11.305312      3.123831      5.494203
  C     -12.720844      3.091515      5.443980
  C     -13.458047      3.142293      6.609036
  C     -12.813429      3.228047      7.864832
  C     -11.435399      3.266976      7.941938
  C     -10.650906      3.216721      6.762876
  H      -3.704611      2.045430      2.043072
  H      -4.868329      3.281191      2.563760
  H      -6.007597      1.652457      4.036914
  H      -4.919545      0.358373      3.495730
  H      -7.148205      0.358279      2.318329
  H      -6.823075      1.995415      1.708839
  H      -4.561644      1.534509     -2.106319
  H      -3.552455     -2.903547     -1.480232
  H      -3.998697     -4.561032      0.337790
  H      -5.247550     -3.871147      2.379357
  H      -6.041350     -1.546189      2.635435
  H      -4.515692      6.917345      5.909016
  H      -2.972139      7.468844      6.589661
  H      -1.983832      7.490293      4.267988
  H      -3.327569      8.613448      4.525214
  H      -3.374260      7.391533      2.298521
  H      -3.573551      5.872249      3.158059
  H      -7.561124      8.891535      4.760750
  H      -9.486088      5.881036      1.876095
  H      -8.598206      4.240352      0.208336
  H      -6.139200      3.979892     -0.100401
  H      -4.563637      5.331970      1.230272
  H      -6.111396      1.763724      8.243365
  H      -6.571260      2.038906      6.550987
  H      -6.536115      4.150280      8.758684
  H      -6.827990      4.478440      7.034588
  H      -8.547581      2.477325      8.612706
  H      -8.892928      4.194242      8.617370
  H      -8.696279      3.060675      3.524591
  H     -13.197990      3.027308      4.465129
  H     -14.548396      3.117521      6.565219
  H     -13.411800      3.266633      8.776661
  H     -10.947416      3.334787      8.914864
  N      -5.539814      4.522334      4.917406
96
Coordinates from ORCA-job orca E -6203.181443040596
  N      -3.509122      2.713483      4.035436
  Mo     -4.107627      3.905402      5.517327
  N      -4.712017      2.847126      7.091024
  C      -3.714926      2.392079      8.058217
  C      -2.442349      1.915646      7.355776
  N      -1.986248      2.915384      6.382233
  C      -1.358332      2.357247      5.178849
  C      -2.416118      1.770272      4.249598
  C      -1.274308      4.055533      6.970088
  C      -1.543203      5.323526      6.163350
  N      -2.974488      5.493955      5.916655
  H      -1.937110      1.523942      3.283240
  H      -2.788558      0.809918      4.660625
  H      -0.852332      3.183673      4.658846
  H      -0.592540      1.596109      5.427568
  H      -1.154179      6.188207      6.732028
  H      -0.972165      5.298200      5.214152
  H      -1.666715      4.199994      7.987061
  H      -0.185852      3.864189      7.052046
  H      -4.114803      1.551164      8.651559
  H      -3.464831      3.192274      8.783329
  H      -2.675195      0.994679      6.802345
  H      -1.653181      1.674772      8.095746
  C      -4.347292      2.393858      2.885003
  C      -5.418220      1.339564      3.194314
  C      -6.369448      1.088202      2.005662
  C      -5.686016      0.505800      0.802786
  N      -5.429215      1.320541     -0.216728
  C      -4.773147      0.798052     -1.288049
  N      -4.337726     -0.435474     -1.449058
  C      -4.596807     -1.297424     -0.419230
  C      -4.169328     -2.644268     -0.524471
  C      -4.430544     -3.534595      0.496327
  C      -5.129318     -3.118417      1.654363
  C      -5.553677     -1.811328      1.782946
  C      -5.293242     -0.870375      0.754666
  C      -3.385526      6.889375      5.766328
  C      -3.011376      7.548416      4.427357
  C      -3.729855      6.958158      3.213482
  C      -5.223093      7.176391      3.188248
  N      -5.738198      8.079022      4.011740
  C      -7.091256      8.216884      4.028495
  N      -7.981701      7.534613      3.339770
  C      -7.474876      6.618833      2.457463
  C      -8.370723      5.844557      1.681317
  C      -7.884080      4.927426      0.772274
  C      -6.491043      4.756365      0.597612
  C      -5.598768      5.490762      1.354321
  C      -6.067040      6.424126      2.309898
  C      -6.109815      2.542384      7.409341
  C      -6.946749      3.760677      7.809964
  C      -8.431630      3.444552      8.000934
  C      -9.225030      3.266372      6.726174
  N      -8.571940      3.256232      5.574891
  C      -9.296611      3.142783      4.430704
  N     -10.604340      3.028295      4.313515
  C     -11.306901      3.020038      5.489059
  C     -12.717579      2.898440      5.446353
  C     -13.448779      2.887189      6.616335
  C     -12.802834      2.996925      7.869591
  C     -11.429368      3.121105      7.939416
  C     -10.651822      3.136062      6.755092
  H      -3.710474      2.055713      2.044994
  H      -4.856047      3.310811      2.560204
  H      -6.020155      1.708778      4.039843
  H      -4.948927      0.395784      3.513493
  H      -7.178142      0.416769      2.334252
  H      -6.826642      2.041937      1.706946
  H      -4.587137      1.499078     -2.108357
  H      -3.639797     -2.944951     -1.429580
  H      -4.102723     -4.572230      0.411242
  H      -5.335029     -3.838552      2.447890
  H      -6.094687     -1.499189      2.676520
  H      -4.472538      6.946349      5.895449
  H      -2.925590      7.481855      6.581102
  H      -1.924297      7.473522      4.264174
  H      -3.251508      8.618893      4.508820
  H      -3.304781      7.387743      2.288487
  H      -3.534173      5.875348      3.153085
  H      -7.475724      8.977925      4.715848
  H      -9.440765      5.995652      1.831456
  H      -8.576360      4.325464      0.180459
  H      -6.121040      4.015776     -0.112940
  H      -4.526367      5.338310      1.224915
  H      -6.136839      1.795798      8.224524
  H      -6.583917      2.079763      6.530603
  H      -6.545881      4.186568      8.743568
  H      -6.836325      4.517011      7.019387
  H      -8.564614      2.538895      8.621992
  H      -8.909018      4.254555      8.576380
  H      -8.711632      3.160255      3.504960
  H     -13.196364      2.817789      4.469444
  H     -14.535680      2.794405      6.578225
  H     -13.396697      2.986188      8.785158
  H     -10.939501      3.208060      8.909919
  N      -5.520819      4.558252      4.905679
96
Coordinates from ORCA-job orca E -6203.181472213995
  N      -3.509071      2.730509      4.035512
  Mo     -4.100674      3.925166      5.518385
  N      -4.717031      2.867898      7.087475
  C      -3.724849      2.403201      8.055206
  C      -2.454401      1.918903      7.353923
  N      -1.988593      2.917285      6.383586
  C      -1.362175      2.357678      5.180299
  C      -2.422102      1.780078      4.247417
  C      -1.269204      4.050430      6.976099
  C      -1.525692      5.322080      6.171217
  N      -2.954806      5.503965      5.919684
  H      -1.943431      1.533493      3.280929
  H      -2.800896      0.820512      4.654686
  H      -0.849352      3.182083      4.663742
  H      -0.602299      1.590565      5.428978
  H      -1.132306      6.183067      6.742433
  H      -0.951798      5.294187      5.223755
  H      -1.663588      4.195585      7.992194
  H      -0.182609      3.850253      7.061064
  H      -4.131861      1.563142      8.644956
  H      -3.470244      3.198910      8.783480
  H      -2.691969      1.000409      6.798415
  H      -1.668788      1.670973      8.095410
  C      -4.354242      2.414405      2.888722
  C      -5.432914      1.371034      3.207364
  C      -6.391071      1.119843      2.024418
  C      -5.719014      0.517723      0.825006
  N      -5.458407      1.320206     -0.203254
  C      -4.813750      0.779980     -1.272868
  N      -4.392481     -0.459551     -1.424069
  C      -4.655383     -1.308810     -0.384705
  C      -4.242417     -2.661099     -0.478749
  C      -4.508572     -3.538697      0.551577
  C      -5.198801     -3.104375      1.708233
  C      -5.608862     -1.791650      1.826027
  C      -5.341958     -0.863148      0.788120
  C      -3.351731      6.902740      5.761533
  C      -2.964917      7.550703      4.420453
  C      -3.687875      6.963833      3.207631
  C      -5.177243      7.206774      3.175427
  N      -5.679882      8.122887      3.991765
  C      -7.030282      8.285231      4.001842
  N      -7.929865      7.614589      3.313656
  C      -7.435653      6.683597      2.440093
  C      -8.342131      5.918197      1.667592
  C      -7.868536      4.986061      0.766871
  C      -6.477937      4.792307      0.596260
  C      -5.575287      5.517154      1.349832
  C      -6.030886      6.464248      2.298103
  C      -6.117047      2.565367      7.398275
  C      -6.954536      3.783373      7.797810
  C      -8.439032      3.465429      7.983605
  C      -9.223911      3.264368      6.706639
  N      -8.572183      3.299077      5.555677
  C      -9.290848      3.161875      4.410343
  N     -10.591335      2.985211      4.291920
  C     -11.292267      2.933237      5.467097
  C     -12.695440      2.746243      5.422507
  C     -13.425532      2.693411      6.592080
  C     -12.785769      2.824653      7.846610
  C     -11.419260      3.010339      7.918164
  C     -10.643328      3.068418      6.734146
  H      -3.723756      2.065344      2.048210
  H      -4.854295      3.334994      2.561398
  H      -6.028209      1.748462      4.053783
  H      -4.968545      0.426108      3.530631
  H      -7.207231      0.462429      2.362715
  H      -6.837081      2.076117      1.717250
  H      -4.623725      1.470645     -2.100927
  H      -3.719804     -2.975900     -1.383068
  H      -4.191497     -4.580353      0.475331
  H      -5.409508     -3.814850      2.509071
  H      -6.144385     -1.465905      2.718076
  H      -4.438547      6.970657      5.885795
  H      -2.889488      7.495211      6.574915
  H      -1.878505      7.460288      4.261000
  H      -3.191061      8.624660      4.495626
  H      -3.252291      7.379821      2.281296
  H      -3.509749      5.877571      3.155594
  H      -7.403822      9.057703      4.682459
  H      -9.409914      6.088630      1.813324
  H      -8.569633      4.389736      0.179574
  H      -6.119489      4.041461     -0.109748
  H      -4.505207      5.347140      1.224390
  H      -6.150054      1.816282      8.210979
  H      -6.586630      2.105182      6.515521
  H      -6.557050      4.207363      8.733795
  H      -6.841756      4.541375      7.009166
  H      -8.574668      2.572197      8.621141
  H      -8.924479      4.284867      8.539694
  H      -8.707284      3.216793      3.485585
  H     -13.169138      2.650270      4.444374
  H     -14.506979      2.551058      6.552624
  H     -13.378900      2.780931      8.761612
  H     -10.933696      3.113873      8.889181
  N      -5.506599      4.589503      4.902481
96
Coordinates from ORCA-job orca E -6203.181522141832
  N      -3.510706      2.751935      4.038481
  Mo     -4.093683      3.953578      5.518842
  N      -4.726815      2.899636      7.083265
  C      -3.742666      2.426670      8.055343
  C      -2.474335      1.929284      7.359164
  N      -1.995186      2.922674      6.390301
  C      -1.371044      2.356598      5.188911
  C      -2.434408      1.790081      4.252608
  C      -1.265686      4.047786      6.985736
  C      -1.505262      5.322496      6.180753
  N      -2.931207      5.519787      5.922546
  H      -1.955720      1.538687      3.287341
  H      -2.824540      0.834323      4.658351
  H      -0.848372      3.175801      4.673830
  H      -0.619753      1.581843      5.440026
  H      -1.105685      6.179082      6.754327
  H      -0.927345      5.289556      5.235851
  H      -1.662228      4.196595      8.000474
  H      -0.181653      3.835868      7.074723
  H      -4.159949      1.591139      8.644276
  H      -3.483106      3.220577      8.783685
  H      -2.718593      1.012753      6.803360
  H      -1.693893      1.674350      8.103728
  C      -4.360692      2.443194      2.892838
  C      -5.456080      1.419542      3.218317
  C      -6.418485      1.175671      2.037785
  C      -5.759111      0.544745      0.846311
  N      -5.479769      1.329341     -0.190917
  C      -4.846147      0.761898     -1.253285
  N      -4.452780     -0.488484     -1.389286
  C      -4.735961     -1.319409     -0.340542
  C      -4.353789     -2.681726     -0.418221
  C      -4.640976     -3.540871      0.621896
  C      -5.322476     -3.077542      1.772453
  C      -5.702648     -1.754514      1.874376
  C      -5.413364     -0.844587      0.826035
  C      -3.308984      6.922781      5.755394
  C      -2.903271      7.558794      4.414233
  C      -3.626280      6.975947      3.199747
  C      -5.111110      7.243926      3.154415
  N      -5.604962      8.171825      3.962776
  C      -6.952441      8.357483      3.960473
  N      -7.857618      7.698702      3.268020
  C      -7.371985      6.754350      2.403990
  C      -8.284818      5.998811      1.629033
  C      -7.819269      5.054140      0.737084
  C      -6.430834      4.838203      0.577724
  C      -5.522389      5.552764      1.333832
  C      -5.970019      6.511498      2.274005
  C      -6.129813      2.600690      7.382820
  C      -6.969006      3.817893      7.779980
  C      -8.451431      3.491692      7.962374
  C      -9.228425      3.260812      6.685579
  N      -8.587100      3.355852      5.532406
  C      -9.301106      3.185724      4.388352
  N     -10.587196      2.921513      4.273786
  C     -11.277151      2.809134      5.451554
  C     -12.664884      2.528317      5.411501
  C     -13.383934      2.417125      6.583926
  C     -12.748459      2.581162      7.836778
  C     -11.396690      2.855416      7.903986
  C     -10.632239      2.973770      6.717035
  H      -3.736345      2.078598      2.054357
  H      -4.845331      3.370226      2.560297
  H      -6.044787      1.812222      4.062284
  H      -5.006192      0.469863      3.548353
  H      -7.249698      0.541352      2.383105
  H      -6.842541      2.138041      1.718870
  H      -4.638930      1.437933     -2.089224
  H      -3.837571     -3.018879     -1.318145
  H      -4.347429     -4.590239      0.558319
  H      -5.550355     -3.773660      2.581137
  H      -6.232183     -1.406317      2.761531
  H      -4.395650      7.005126      5.871332
  H      -2.844977      7.513287      6.569197
  H      -1.817193      7.451932      4.263113
  H      -3.114534      8.636210      4.482281
  H      -3.176480      7.377836      2.274014
  H      -3.466535      5.886503      3.156595
  H      -7.318264      9.140214      4.633542
  H      -9.350781      6.187869      1.765033
  H      -8.524970      4.465214      0.147938
  H      -6.079798      4.077883     -0.121700
  H      -4.454184      5.366079      1.216898
  H      -6.170617      1.848544      8.192344
  H      -6.593650      2.143607      6.495092
  H      -6.575379      4.242594      8.717315
  H      -6.856426      4.576301      6.991773
  H      -8.583656      2.611120      8.617350
  H      -8.948286      4.318247      8.498718
  H      -8.726749      3.291217      3.461803
  H     -13.136092      2.408845      4.434780
  H     -14.453603      2.203098      6.547965
  H     -13.333103      2.491493      8.753825
  H     -10.913947      2.984218      8.873418
  N      -5.489542      4.631961      4.895450
96
Coordinates from ORCA-job orca E -6203.181577561558
  N      -3.513559      2.774088      4.042182
  Mo     -4.087658      3.982799      5.519879
  N      -4.737988      2.932365      7.079320
  C      -3.762282      2.450993      8.055941
  C      -2.496157      1.940355      7.365059
  N      -2.003408      2.928563      6.397829
  C      -1.381524      2.355990      5.198393
  C      -2.448176      1.800785      4.258438
  C      -1.263779      4.045356      6.996407
  C      -1.485911      5.323020      6.191388
  N      -2.908370      5.535994      5.926105
  H      -1.969458      1.544637      3.294407
  H      -2.849736      0.848931      4.662458
  H      -0.848888      3.169851      4.684915
  H      -0.639028      1.573586      5.451998
  H      -1.080228      6.175043      6.767514
  H      -0.903751      5.284952      5.249233
  H      -1.662658      4.197900      8.009686
  H      -0.182525      3.821477      7.089677
  H      -4.190052      1.620093      8.643824
  H      -3.497833      3.242929      8.784512
  H      -2.747131      1.025895      6.808881
  H      -1.721116      1.678332      8.112798
  C      -4.368668      2.473052      2.897869
  C      -5.480781      1.470009      3.230708
  C      -6.448019      1.233697      2.053139
  C      -5.803018      0.573310      0.869965
  N      -5.505325      1.338858     -0.176468
  C      -4.884088      0.743615     -1.231227
  N      -4.519711     -0.517091     -1.351457
  C      -4.822927     -1.328450     -0.293113
  C      -4.472729     -2.700159     -0.353844
  C      -4.780727     -3.539572      0.696310
  C      -5.452109     -3.046543      1.840449
  C      -5.801209     -1.713801      1.925936
  C      -5.489724     -0.823782      0.866887
  C      -3.266299      6.943002      5.749575
  C      -2.841380      7.566098      4.408359
  C      -3.564632      6.987129      3.192434
  C      -5.044206      7.280949      3.133673
  N      -5.528495      8.220949      3.933811
  C      -6.872424      8.430607      3.918941
  N      -7.783342      7.783978      3.222409
  C      -7.307161      6.825817      2.368320
  C      -8.226637      6.080228      1.591333
  C      -7.769937      5.122582      0.708551
  C      -6.384229      4.883980      0.560382
  C      -5.469739      5.588142      1.318604
  C      -5.908614      6.558885      2.250363
  C      -6.143995      2.636827      7.366729
  C      -6.985638      3.852936      7.760601
  C      -8.465856      3.517442      7.938161
  C      -9.232846      3.255572      6.661226
  N      -8.606290      3.411090      5.506714
  C      -9.312900      3.206705      4.363447
  N     -10.577863      2.853402      4.251499
  C     -11.252684      2.680393      5.431036
  C     -12.617868      2.304029      5.394216
  C     -13.322119      2.134321      6.568723
  C     -12.694126      2.332652      7.820395
  C     -11.363662      2.697113      7.884484
  C     -10.614487      2.875911      6.695396
  H      -3.751182      2.092530      2.061401
  H      -4.837382      3.406431      2.559996
  H      -6.062058      1.878149      4.072363
  H      -5.045599      0.515747      3.567489
  H      -7.294070      0.623774      2.405925
  H      -6.849384      2.201649      1.722075
  H      -4.659832      1.403909     -2.075279
  H      -3.963986     -3.060209     -1.249144
  H      -4.511597     -4.596167      0.645857
  H      -5.697025     -3.727284      2.657179
  H      -6.323735     -1.342604      2.807937
  H      -4.352538      7.040214      5.856949
  H      -2.800412      7.531636      6.563656
  H      -1.755984      7.442195      4.265816
  H      -3.037092      8.646849      4.468902
  H      -3.100549      7.373817      2.267315
  H      -3.424162      5.894764      3.158663
  H      -7.229796      9.223948      4.584106
  H      -9.290286      6.288329      1.717566
  H      -8.480447      4.541057      0.117944
  H      -6.041318      4.113849     -0.132153
  H      -4.403815      5.384459      1.210113
  H      -6.192960      1.881730      8.173050
  H      -6.601300      2.182601      6.473805
  H      -6.597032      4.278659      8.699616
  H      -6.872909      4.611756      6.972890
  H      -8.595077      2.650256      8.610700
  H      -8.975329      4.350551      8.453406
  H      -8.751268      3.362961      3.435792
  H     -13.084267      2.159837      4.418553
  H     -14.374608      1.847303      6.535264
  H     -13.267411      2.196870      8.738873
  H     -10.886230      2.852378      8.852697
  N      -5.472980      4.675464      4.888745
96
Coordinates from ORCA-job orca E -6203.181612330843
  N      -3.517253      2.795933      4.046154
  Mo     -4.082955      4.011513      5.521021
  N      -4.750753      2.964630      7.075159
  C      -3.783837      2.475128      8.056642
  C      -2.519767      1.951456      7.371441
  N      -2.013336      2.934403      6.406022
  C      -1.393366      2.355410      5.208703
  C      -2.462877      1.811403      4.264815
  C      -1.264010      4.042877      7.007969
  C      -1.468646      5.323271      6.202932
  N      -2.887378      5.551684      5.930239
  H      -1.983915      1.550509      3.302150
  H      -2.875827      0.863555      4.667021
  H      -0.850778      3.163875      4.696986
  H      -0.659729      1.565538      5.464985
  H      -1.057196      6.170725      6.781749
  H      -0.882051      5.280121      5.263696
  H      -1.665475      4.199130      8.019674
  H      -0.185676      3.807224      7.105795
  H      -4.222085      1.648902      8.643314
  H      -3.514894      3.265114      8.785528
  H      -2.777137      1.039089      6.814796
  H      -1.750388      1.682527      8.122567
  C      -4.377238      2.502730      2.903038
  C      -5.505788      1.520715      3.243229
  C      -6.477831      1.291888      2.068696
  C      -5.848164      0.602023      0.894325
  N      -5.532601      1.347619     -0.161335
  C      -4.924650      0.724515     -1.208046
  N      -4.589727     -0.545737     -1.312045
  C      -4.912500     -1.336556     -0.244059
  C      -4.594736     -2.716767     -0.287359
  C      -4.923059     -3.535440      0.772892
  C      -5.583360     -3.012547      1.910195
  C      -5.900925     -1.670950      1.978766
  C      -5.567731     -0.801900      0.908930
  C      -3.225488      6.962376      5.744563
  C      -2.781473      7.572441      4.403613
  C      -3.504903      6.997507      3.186156
  C      -4.978639      7.317117      3.113898
  N      -5.453017      8.268941      3.905973
  C      -6.792835      8.502597      3.878482
  N      -7.709310      7.868395      3.177668
  C      -7.243023      6.896740      2.333368
  C      -8.169072      6.161450      1.554126
  C      -7.721625      5.191138      0.680343
  C      -6.339117      4.929842      0.543417
  C      -5.418674      5.623258      1.303977
  C      -5.848418      6.605715      2.227490
  C      -6.159745      2.672411      7.349744
  C      -7.004240      3.887302      7.739692
  C      -8.482134      3.542083      7.911742
  C      -9.237809      3.248926      6.634780
  N      -8.630691      3.463029      5.479453
  C      -9.327883      3.224090      4.336864
  N     -10.565417      2.783107      4.226968
  C     -11.220641      2.551291      5.407830
  C     -12.556586      2.080867      5.373672
  C     -13.241975      1.854393      6.549874
  C     -12.623896      2.087296      7.800532
  C     -11.320881      2.540621      7.862015
  C     -10.591093      2.778088      6.671176
  H      -3.766878      2.106373      2.068713
  H      -4.829852      3.442173      2.559733
  H      -6.079343      1.944355      4.082392
  H      -5.085409      0.562185      3.586932
  H      -7.338171      0.707025      2.428920
  H      -6.856282      2.264691      1.725178
  H      -4.683742      1.368231     -2.060243
  H      -4.094205     -3.099848     -1.177715
  H      -4.678702     -4.598586      0.735937
  H      -5.844934     -3.677103      2.735028
  H      -6.415693     -1.276592      2.855290
  H      -4.311063      7.074297      5.843198
  H      -2.757891      7.549069      6.559060
  H      -1.697072      7.431572      4.269771
  H      -2.961529      8.656249      4.456857
  H      -3.026808      7.368817      2.261910
  H      -3.383909      5.902633      3.161508
  H      -7.141407      9.306280      4.535882
  H      -9.229973      6.388602      1.670539
  H      -8.436886      4.617283      0.088082
  H      -6.004642      4.150171     -0.142365
  H      -4.355382      5.402535      1.203958
  H      -6.217134      1.914437      8.152804
  H      -6.609957      2.220930      6.451486
  H      -6.621233      4.314351      8.680452
  H      -6.891177      4.646393      6.952369
  H      -8.608889      2.688733      8.601589
  H      -9.004666      4.381095      8.405215
  H      -8.782736      3.429614      3.408467
  H     -13.016454      1.911633      4.398962
  H     -14.272213      1.495510      6.518490
  H     -13.182703      1.906726      8.720147
  H     -10.850670      2.722643      8.829134
  N      -5.457470      4.718113      4.881768
96
Coordinates from ORCA-job orca E -6203.181611356047
  N      -3.532109      2.801016      4.054295
  Mo     -4.080578      4.021986      5.530557
  N      -4.738319      2.976688      7.089211
  C      -3.767068      2.482351      8.063824
  C      -2.509201      1.955684      7.369345
  N      -2.008514      2.938220      6.400665
  C      -1.398410      2.359289      5.198961
  C      -2.475002      1.816939      4.261127
  C      -1.251795      4.044372      6.997866
  C      -1.455062      5.325505      6.193741
  N      -2.873902      5.558701      5.925419
  H      -2.002518      1.559583      3.294309
  H      -2.884179      0.867017      4.662832
  H      -0.859913      3.168126      4.683183
  H      -0.662627      1.569481      5.449265
  H      -1.039891      6.171575      6.772066
  H      -0.871097      5.282044      5.252806
  H      -1.647911      4.202435      8.011437
  H      -0.173907      3.804786      7.091050
  H      -4.204581      1.656184      8.650936
  H      -3.491120      3.269689      8.792792
  H      -2.772916      1.043999      6.814553
  H      -1.734227      1.684759      8.113999
  C      -4.402771      2.505365      2.918948
  C      -5.532046      1.527518      3.266529
  C      -6.507378      1.301281      2.095125
  C      -5.879386      0.601926      0.924468
  N      -5.555579      1.343112     -0.132470
  C      -4.941151      0.714733     -1.172080
  N      -4.610054     -0.557023     -1.269198
  C      -4.945495     -1.344031     -0.202071
  C      -4.634853     -2.725897     -0.239773
  C      -4.975501     -3.540390      0.819715
  C      -5.641307     -3.011369      1.950792
  C      -5.951775     -1.667855      2.014270
  C      -5.606253     -0.803152      0.944691
  C      -3.204954      6.970352      5.734008
  C      -2.763463      7.571604      4.387843
  C      -3.501926      6.998893      3.178748
  C      -4.971446      7.339331      3.112971
  N      -5.430318      8.294961      3.909614
  C      -6.767270      8.545502      3.888332
  N      -7.695239      7.921200      3.193466
  C      -7.245118      6.943639      2.347020
  C      -8.184046      6.215019      1.576489
  C      -7.751494      5.240659      0.699440
  C      -6.372414      4.969046      0.550006
  C      -5.439931      5.655720      1.301758
  C      -5.854337      6.640121      2.230071
  C      -6.145956      2.677545      7.364643
  C      -7.000512      3.887912      7.747262
  C      -8.477035      3.525928      7.904902
  C      -9.212629      3.226459      6.618076
  N      -8.586979      3.445664      5.473270
  C      -9.260504      3.199340      4.318840
  N     -10.490139      2.742459      4.187180
  C     -11.164074      2.504160      5.355706
  C     -12.492072      2.014200      5.296115
  C     -13.197753      1.781775      6.459046
  C     -12.608598      2.028467      7.721143
  C     -11.313364      2.499518      7.807370
  C     -10.562131      2.742712      6.630652
  H      -3.799214      2.100940      2.083659
  H      -4.853209      3.444517      2.573043
  H      -6.100381      1.950164      4.109586
  H      -5.110291      0.568157      3.606900
  H      -7.373393      0.726933      2.457628
  H      -6.877177      2.275086      1.745389
  H      -4.690058      1.353736     -2.024832
  H      -4.130240     -3.113558     -1.125851
  H      -4.736229     -4.604800      0.787047
  H      -5.912721     -3.672688      2.775038
  H      -6.471891     -1.269552      2.885940
  H      -4.289184      7.088957      5.838124
  H      -2.729260      7.558699      6.542593
  H      -1.681518      7.418783      4.247674
  H      -2.931799      8.657351      4.437947
  H      -3.023232      7.353471      2.248442
  H      -3.398945      5.901901      3.163457
  H      -7.102188      9.355080      4.545672
  H      -9.242172      6.450171      1.701511
  H      -8.476637      4.671281      0.114976
  H      -6.051895      4.184371     -0.137364
  H      -4.378815      5.429786      1.191502
  H      -6.200571      1.924017      8.171896
  H      -6.593046      2.217769      6.468612
  H      -6.630119      4.317085      8.692238
  H      -6.887296      4.649655      6.962629
  H      -8.597088      2.670881      8.593005
  H      -9.013924      4.358584      8.393484
  H      -8.700890      3.409424      3.400392
  H     -12.928015      1.834596      4.312246
  H     -14.221782      1.407764      6.408339
  H     -13.183276      1.843389      8.629862
  H     -10.865778      2.690214      8.783279
  N      -5.456969      4.736218      4.902225
96
Coordinates from ORCA-job orca E -6203.181666392657
  N      -3.533169      2.813095      4.049075
  Mo     -4.085240      4.030800      5.526348
  N      -4.749161      2.981394      7.080088
  C      -3.781807      2.484903      8.057498
  C      -2.522376      1.957466      7.366723
  N      -2.017510      2.941536      6.401937
  C      -1.404486      2.364409      5.200816
  C      -2.479025      1.826213      4.258031
  C      -1.261380      4.045066      7.004540
  C      -1.460108      5.328683      6.203484
  N      -2.877626      5.564680      5.930566
  H      -2.003334      1.569938      3.292504
  H      -2.891840      0.876465      4.656342
  H      -0.863077      3.173445      4.688379
  H      -0.670764      1.572893      5.451576
  H      -1.045913      6.172385      6.786027
  H      -0.872611      5.287408      5.264672
  H      -1.660682      4.200862      8.017229
  H      -0.184112      3.803798      7.100666
  H      -4.222452      1.659139      8.642741
  H      -3.507224      3.271598      8.787685
  H      -2.785797      1.047360      6.809203
  H      -1.750070      1.684165      8.113223
  C      -4.398253      2.523610      2.907660
  C      -5.535179      1.551323      3.246234
  C      -6.502481      1.330803      2.067040
  C      -5.870040      0.622961      0.903741
  N      -5.527721      1.357857     -0.151813
  C      -4.908551      0.720331     -1.183113
  N      -4.589713     -0.555096     -1.273361
  C      -4.945312     -1.335823     -0.208183
  C      -4.649777     -2.721080     -0.239522
  C      -5.010389     -3.529222      0.818264
  C      -5.681431     -2.990011      1.941288
  C      -5.977617     -1.643042      1.998460
  C      -5.611984     -0.784904      0.930252
  C      -3.205212      6.977073      5.740450
  C      -2.753433      7.580251      4.398985
  C      -3.478514      7.003328      3.184153
  C      -4.949215      7.335279      3.105190
  N      -5.420871      8.290422      3.894862
  C      -6.759022      8.533076      3.860231
  N      -7.676923      7.901362      3.158496
  C      -7.213412      6.923521      2.319665
  C      -8.140522      6.187312      1.541782
  C      -7.693476      5.212549      0.672447
  C      -6.311749      4.947113      0.538787
  C      -5.390937      5.641647      1.297343
  C      -5.819924      6.627480      2.217315
  C      -6.157589      2.683956      7.353066
  C      -7.010596      3.894334      7.739239
  C      -8.485259      3.528974      7.908779
  C      -9.232929      3.223294      6.630668
  N      -8.622957      3.445392      5.477777
  C      -9.308073      3.188672      4.332247
  N     -10.534400      2.717742      4.216916
  C     -11.192118      2.476786      5.394302
  C     -12.515461      1.971452      5.353367
  C     -13.204668      1.737566      6.525838
  C     -12.603509      1.997741      7.779406
  C     -11.312466      2.482770      7.847611
  C     -10.577577      2.727348      6.660889
  H      -3.791384      2.117802      2.075640
  H      -4.842202      3.465651      2.560236
  H      -6.107657      1.977523      4.084753
  H      -5.121734      0.589213      3.588963
  H      -7.376441      0.764559      2.422932
  H      -6.861003      2.306991      1.712393
  H      -4.640595      1.354326     -2.034525
  H      -4.140520     -3.116469     -1.119506
  H      -4.782883     -4.596328      0.790436
  H      -5.968181     -3.646220      2.764419
  H      -6.501440     -1.236706      2.864175
  H      -4.290127      7.096468      5.836573
  H      -2.735036      7.562972      6.554033
  H      -1.669667      7.431436      4.268710
  H      -2.926418      8.665347      4.447360
  H      -2.993595      7.358977      2.257561
  H      -3.369979      5.906825      3.171072
  H      -7.104689      9.342962      4.511578
  H      -9.201118      6.417315      1.654878
  H      -8.408735      4.638068      0.081001
  H      -5.980022      4.161076     -0.141184
  H      -4.327680      5.421116      1.198598
  H      -6.213118      1.928263      8.158204
  H      -6.606085      2.227272      6.456110
  H      -6.634758      4.325634      8.681050
  H      -6.903370      4.654656      6.952469
  H      -8.595904      2.674698      8.599439
  H      -9.020031      4.361040      8.400679
  H      -8.761955      3.401665      3.406058
  H     -12.961637      1.781191      4.376205
  H     -14.224926      1.351806      6.489373
  H     -13.165449      1.811741      8.695857
  H     -10.855609      2.683940      8.817172
  N      -5.458329      4.748563      4.894620
96
Coordinates from ORCA-job orca E -6203.181689608230
  N      -3.528001      2.813927      4.049633
  Mo     -4.088356      4.028656      5.526011
  N      -4.753566      2.975884      7.077417
  C      -3.787288      2.482417      8.057603
  C      -2.524156      1.959154      7.370417
  N      -2.019529      2.945237      6.407537
  C      -1.401427      2.370249      5.207745
  C      -2.472011      1.829578      4.261878
  C      -1.268575      4.050778      7.012877
  C      -1.469409      5.334344      6.212330
  N      -2.886869      5.565923      5.935679
  H      -1.992879      1.574391      3.297767
  H      -2.883775      0.879058      4.659301
  H      -0.860604      3.180742      4.697001
  H      -0.666393      1.580516      5.460180
  H      -1.059500      6.178859      6.796778
  H      -0.879215      5.295791      5.275103
  H      -1.670935      4.204532      8.024693
  H      -0.190772      3.812886      7.111517
  H      -4.226903      1.655514      8.641924
  H      -3.517289      3.270345      8.788262
  H      -2.783370      1.048647      6.811587
  H      -1.753082      1.687906      8.118905
  C      -4.389436      2.523063      2.906236
  C      -5.524599      1.547889      3.242437
  C      -6.494068      1.331953      2.064193
  C      -5.864735      0.628700      0.896742
  N      -5.523520      1.367700     -0.156020
  C      -4.907445      0.734326     -1.191430
  N      -4.590980     -0.541280     -1.288474
  C      -4.945954     -1.326394     -0.226245
  C      -4.653336     -2.712033     -0.264689
  C      -5.012807     -3.524250      0.790460
  C      -5.679386     -2.988806      1.917927
  C      -5.972896     -1.641616      1.981965
  C      -5.608786     -0.779593      0.916428
  C      -3.219130      6.977434      5.747899
  C      -2.759615      7.587632      4.412182
  C      -3.469112      7.009462      3.188660
  C      -4.941547      7.330124      3.096328
  N      -5.429054      8.276829      3.886498
  C      -6.768711      8.508631      3.839369
  N      -7.674067      7.873927      3.124105
  C      -7.194095      6.904838      2.284463
  C      -8.106956      6.166444      1.491869
  C      -7.643036      5.200433      0.621613
  C      -6.258007      4.945984      0.501461
  C      -5.351091      5.643021      1.274384
  C      -5.797367      6.619974      2.195685
  C      -6.162050      2.677145      7.349304
  C      -7.015454      3.887048      7.735591
  C      -8.488647      3.521183      7.915247
  C      -9.247787      3.213598      6.644485
  N      -8.648065      3.427041      5.484593
  C      -9.346933      3.171069      4.347025
  N     -10.577589      2.707900      4.246154
  C     -11.224467      2.475176      5.431466
  C     -12.551571      1.978251      5.407104
  C     -13.229943      1.754759      6.587952
  C     -12.613870      2.017186      7.833801
  C     -11.318822      2.493699      7.885920
  C     -10.594972      2.726869      6.690362
  H      -3.780217      2.120980      2.074262
  H      -4.835751      3.464564      2.560040
  H      -6.096242      1.970762      4.083309
  H      -5.110419      0.584415      3.580359
  H      -7.367238      0.764305      2.419862
  H      -6.853303      2.309719      1.714530
  H      -4.640058      1.372501     -2.039972
  H      -4.147166     -3.104459     -1.147762
  H      -4.787650     -4.591685      0.757145
  H      -5.964707     -3.648151      2.739051
  H      -6.492505     -1.237614      2.851223
  H      -4.305351      7.091860      5.836005
  H      -2.757920      7.562264      6.567385
  H      -1.673627      7.446969      4.291288
  H      -2.940531      8.671333      4.462295
  H      -2.978316      7.372237      2.267982
  H      -3.352012      5.913987      3.172560
  H      -7.127814      9.311576      4.492016
  H      -9.170405      6.388117      1.594319
  H      -8.347138      4.624730      0.018098
  H      -5.912533      4.165663     -0.178263
  H      -4.285349      5.430538      1.186373
  H      -6.216926      1.921551      8.154513
  H      -6.610329      2.220415      6.452445
  H      -6.635142      4.322043      8.673874
  H      -6.912988      4.644462      6.945426
  H      -8.594595      2.667229      8.607793
  H      -9.020108      4.353084      8.411118
  H      -8.809652      3.378646      3.413923
  H     -13.009508      1.786099      4.435832
  H     -14.253008      1.375566      6.564254
  H     -13.167502      1.840068      8.757048
  H     -10.850196      2.697626      8.849623
  N      -5.461290      4.743171      4.890300
96
Coordinates from ORCA-job orca E -6203.181702204861
  N      -3.526143      2.826348      4.050222
  Mo     -4.090444      4.036501      5.528775
  N      -4.756779      2.977459      7.075965
  C      -3.791524      2.482280      8.056519
  C      -2.526226      1.963330      7.370088
  N      -2.021513      2.953083      6.410887
  C      -1.400773      2.382221      5.210465
  C      -2.469080      1.842966      4.261404
  C      -1.272786      4.057754      7.020659
  C      -1.473582      5.343354      6.223484
  N      -2.890597      5.573779      5.944188
  H      -1.987761      1.591382      3.297485
  H      -2.880308      0.890847      4.655428
  H      -0.860096      3.194627      4.702648
  H      -0.665227      1.592648      5.461726
  H      -1.066297      6.186696      6.811529
  H      -0.881150      5.308630      5.287513
  H      -1.677113      4.208228      8.032208
  H      -0.194919      3.820660      7.120631
  H      -4.230956      1.652767      8.637168
  H      -3.524388      3.268356      8.790282
  H      -2.783125      1.054195      6.807962
  H      -1.755800      1.691056      8.118864
  C      -4.385941      2.536161      2.905590
  C      -5.522480      1.561906      3.238882
  C      -6.494287      1.355380      2.060777
  C      -5.870801      0.648053      0.892649
  N      -5.523985      1.385345     -0.159286
  C      -4.912406      0.749164     -1.195044
  N      -4.606036     -0.528832     -1.294066
  C      -4.967255     -1.312568     -0.232744
  C      -4.685614     -2.700396     -0.272735
  C      -5.050478     -3.510674      0.782164
  C      -5.711419     -2.971085      1.911000
  C      -5.994542     -1.621796      1.976534
  C      -5.625226     -0.761991      0.911046
  C      -3.224180      6.985134      5.757801
  C      -2.755354      7.598691      4.426634
  C      -3.449173      7.014993      3.196662
  C      -4.922247      7.327337      3.088107
  N      -5.424368      8.269245      3.874780
  C      -6.764543      8.493686      3.812052
  N      -7.657688      7.855843      3.084471
  C      -7.162679      6.891287      2.248484
  C      -8.061961      6.150310      1.442999
  C      -7.582901      5.188129      0.576763
  C      -6.195120      4.940519      0.472547
  C      -5.301248      5.640981      1.257866
  C      -5.763523      6.613894      2.175922
  C      -6.165224      2.674224      7.344700
  C      -7.024005      3.882595      7.723602
  C      -8.494215      3.511603      7.914186
  C      -9.258129      3.183262      6.651910
  N      -8.662825      3.373896      5.485901
  C      -9.368301      3.102350      4.356167
  N     -10.600723      2.642001      4.268626
  C     -11.242534      2.431054      5.460660
  C     -12.571222      1.938491      5.450543
  C     -13.245141      1.737676      6.638009
  C     -12.622456      2.019256      7.876540
  C     -11.325374      2.492020      7.914793
  C     -10.606466      2.701967      6.712148
  H      -3.775892      2.135063      2.073866
  H      -4.831335      3.478181      2.560311
  H      -6.091588      1.981850      4.082894
  H      -5.110648      0.595300      3.570696
  H      -7.371942      0.794711      2.416627
  H      -6.845789      2.336537      1.712069
  H      -4.640757      1.386949     -2.042610
  H      -4.183208     -3.095983     -1.156543
  H      -4.833756     -4.579814      0.747664
  H      -6.000629     -3.628985      2.731946
  H      -6.509278     -1.214030      2.846838
  H      -4.311390      7.097015      5.837267
  H      -2.770802      7.568991      6.582417
  H      -1.667378      7.464646      4.316334
  H      -2.943174      8.681282      4.474793
  H      -2.950720      7.377887      2.280176
  H      -3.326936      5.919995      3.184186
  H      -7.135985      9.292689      4.462580
  H      -9.127591      6.367066      1.532197
  H      -8.277099      4.610526     -0.036486
  H      -5.837703      4.161830     -0.203124
  H      -4.233413      5.433951      1.183048
  H      -6.219737      1.922474      8.153423
  H      -6.609255      2.211637      6.448815
  H      -6.641682      4.327854      8.656186
  H      -6.928866      4.633215      6.926093
  H      -8.593368      2.666651      8.619321
  H      -9.028196      4.346814      8.402058
  H      -8.835639      3.293738      3.417002
  H     -13.033545      1.731633      4.484328
  H     -14.269528      1.361568      6.625492
  H     -13.172793      1.860617      8.805128
  H     -10.851289      2.711382      8.872661
  N      -5.461732      4.753702      4.892056
96
Coordinates from ORCA-job orca E -6203.181711927981
  N      -3.534126      2.826004      4.050564
  Mo     -4.095720      4.035860      5.530153
  N      -4.757250      2.975841      7.078727
  C      -3.789786      2.480945      8.057211
  C      -2.525582      1.963240      7.367998
  N      -2.024111      2.954037      6.408365
  C      -1.405034      2.384718      5.206391
  C      -2.474551      1.844491      4.258764
  C      -1.275398      4.058952      7.017524
  C      -1.478271      5.344743      6.221450
  N      -2.895754      5.573941      5.943746
  H      -1.994669      1.594688      3.293619
  H      -2.883232      0.891169      4.652713
  H      -0.866543      3.198266      4.697958
  H      -0.667728      1.596116      5.455645
  H      -1.071291      6.188066      6.809801
  H      -0.886651      5.311394      5.284909
  H      -1.678357      4.208587      8.029777
  H      -0.197200      3.822677      7.115810
  H      -4.227457      1.650903      8.638333
  H      -3.521819      3.266975      8.790732
  H      -2.782984      1.054226      6.805958
  H      -1.753175      1.691325      8.114823
  C      -4.396109      2.534780      2.907215
  C      -5.527853      1.554386      3.239378
  C      -6.499434      1.345965      2.061287
  C      -5.873541      0.641731      0.892158
  N      -5.525253      1.381308     -0.158052
  C      -4.909146      0.747629     -1.192924
  N      -4.600276     -0.529703     -1.292771
  C      -4.964166     -1.315792     -0.234190
  C      -4.681316     -2.703255     -0.276235
  C      -5.049210     -3.516192      0.775486
  C      -5.714247     -2.979572      1.903187
  C      -5.998468     -1.630633      1.970844
  C      -5.626374     -0.768123      0.908480
  C      -3.230157      6.985445      5.760811
  C      -2.758084      7.603890      4.433480
  C      -3.447073      7.021903      3.200591
  C      -4.919522      7.334681      3.086851
  N      -5.424812      8.276648      3.871332
  C      -6.764557      8.502030      3.801777
  N      -7.654450      7.865398      3.068983
  C      -7.155951      6.899829      2.236163
  C      -8.051195      6.159299      1.425470
  C      -7.567624      5.195872      0.562962
  C      -6.179886      4.945550      0.468770
  C      -5.290247      5.646559      1.257800
  C      -5.756702      6.621319      2.171405
  C      -6.164834      2.672112      7.350246
  C      -7.023005      3.880746      7.729290
  C      -8.492818      3.508525      7.920378
  C      -9.257547      3.183150      6.658010
  N      -8.661103      3.370981      5.491663
  C      -9.367287      3.099938      4.362025
  N     -10.599981      2.639213      4.275200
  C     -11.242295      2.429974      5.467478
  C     -12.570947      1.936148      5.458646
  C     -13.244773      1.737604      6.646547
  C     -12.622659      2.022790      7.884379
  C     -11.325967      2.496296      7.921573
  C     -10.606709      2.703870      6.718554
  H      -3.785911      2.137893      2.073603
  H      -4.846381      3.475567      2.564103
  H      -6.098376      1.969111      4.085160
  H      -5.111111      0.588634      3.567687
  H      -7.375329      0.782309      2.416440
  H      -6.853838      2.326307      1.713783
  H      -4.634390      1.386923     -2.038399
  H      -4.175852     -3.096534     -1.159341
  H      -4.831636     -4.585088      0.739333
  H      -6.005555     -3.639490      2.721750
  H      -6.516373     -1.225313      2.840505
  H      -4.317601      7.096226      5.837886
  H      -2.779169      7.566832      6.588463
  H      -1.669456      7.472398      4.326331
  H      -2.948326      8.685903      4.484016
  H      -2.945198      7.385392      2.286320
  H      -3.324727      5.926820      3.187586
  H      -7.138557      9.302035      4.449674
  H      -9.117105      6.377605      1.507589
  H      -8.258144      4.618717     -0.054555
  H      -5.819903      4.163202     -0.200528
  H      -4.222303      5.438040      1.190104
  H      -6.217884      1.920852      8.159474
  H      -6.610838      2.209322      6.455400
  H      -6.640288      4.326523      8.661533
  H      -6.928388      4.631281      6.931494
  H      -8.589740      2.660633      8.622084
  H      -9.026570      4.341605      8.411963
  H      -8.834208      3.289763      3.422301
  H     -13.033140      1.725933      4.493172
  H     -14.268796      1.360455      6.634878
  H     -13.172896      1.865606      8.813200
  H     -10.852212      2.717743      8.878816
  N      -5.468830      4.752551      4.896405
96
Coordinates from ORCA-job orca E -6203.181718914727
  N      -3.538942      2.828986      4.050748
  Mo     -4.097420      4.037492      5.532747
  N      -4.755801      2.975351      7.081202
  C      -3.786430      2.476879      8.055985
  C      -2.523346      1.961717      7.362866
  N      -2.023963      2.955139      6.404923
  C      -1.406403      2.389061      5.200752
  C      -2.476957      1.849209      4.254187
  C      -1.274713      4.058884      7.015471
  C      -1.478469      5.345870      6.221726
  N      -2.896178      5.575011      5.945291
  H      -1.998798      1.602579      3.287375
  H      -2.882906      0.894131      4.646729
  H      -0.869783      3.204286      4.693058
  H      -0.667752      1.600790      5.447047
  H      -1.071368      6.188443      6.811053
  H      -0.887575      5.314220      5.284667
  H      -1.676767      4.206710      8.028348
  H      -0.196426      3.822443      7.112397
  H      -4.222894      1.644368      8.634488
  H      -3.517467      3.259997      8.792224
  H      -2.781271      1.054041      6.798897
  H      -1.749441      1.688074      8.107541
  C      -4.404893      2.535795      2.910793
  C      -5.529886      1.548786      3.245989
  C      -6.506036      1.337959      2.072077
  C      -5.882505      0.636378      0.900135
  N      -5.542138      1.377834     -0.151339
  C      -4.927640      0.747280     -1.189020
  N      -4.613508     -0.528623     -1.290675
  C      -4.969180     -1.316663     -0.230738
  C      -4.679904     -2.702792     -0.274221
  C      -5.039374     -3.517606      0.778945
  C      -5.702220     -2.984387      1.909567
  C      -5.992499     -1.636804      1.978729
  C      -5.628960     -0.772344      0.914963
  C      -3.230063      6.986745      5.762940
  C      -2.756067      7.604811      4.436161
  C      -3.444161      7.021928      3.203296
  C      -4.915213      7.339721      3.085887
  N      -5.418963      8.284292      3.868210
  C      -6.757441      8.515640      3.794034
  N      -7.647663      7.882852      3.058422
  C      -7.150790      6.914254      2.228119
  C      -8.046613      6.177355      1.414868
  C      -7.564816      5.210065      0.555706
  C      -6.177965      4.952782      0.466867
  C      -5.287711      5.650610      1.257970
  C      -5.752634      6.628929      2.168636
  C      -6.162772      2.668486      7.353689
  C      -7.024013      3.875459      7.730973
  C      -8.493464      3.501270      7.920380
  C      -9.256081      3.173263      6.657301
  N      -8.656793      3.355875      5.491549
  C      -9.362239      3.085307      4.361358
  N     -10.596500      2.629495      4.273236
  C     -11.241563      2.424786      5.464670
  C     -12.571926      1.935867      5.454041
  C     -13.248458      1.741207      6.640986
  C     -12.627429      2.025637      7.879545
  C     -11.329286      2.494989      7.918444
  C     -10.607230      2.698712      6.716337
  H      -3.796342      2.143061      2.073896
  H      -4.860951      3.474875      2.571024
  H      -6.098263      1.957420      4.096082
  H      -5.106186      0.584360      3.569297
  H      -7.378471      0.771333      2.430963
  H      -6.865171      2.317180      1.726060
  H      -4.659877      1.388023     -2.035626
  H      -4.176344     -3.093535     -1.159539
  H      -4.816811     -4.585447      0.741690
  H      -5.987063     -3.645898      2.729131
  H      -6.508988     -1.234181      2.850490
  H      -4.317554      7.097804      5.838758
  H      -2.779652      7.567695      6.591253
  H      -1.667361      7.472967      4.330475
  H      -2.946075      8.686887      4.485775
  H      -2.939273      7.381007      2.288914
  H      -3.325737      5.926312      3.193659
  H      -7.130113      9.317242      4.440724
  H      -9.111671      6.401278      1.492479
  H      -8.256249      4.635332     -0.063043
  H      -5.819861      4.167331     -0.199991
  H      -4.220489      5.436877      1.194650
  H      -6.213860      1.918604      8.164276
  H      -6.607778      2.203037      6.459709
  H      -6.643013      4.322312      8.663406
  H      -6.929825      4.626073      6.933205
  H      -8.590828      2.654715      8.623504
  H      -9.028950      4.334549      8.409707
  H      -8.827243      3.271773      3.422347
  H     -13.032875      1.726413      4.487775
  H     -14.273849      1.367803      6.628064
  H     -13.179790      1.871308      8.807594
  H     -10.856215      2.715419      8.876149
  N      -5.470906      4.756458      4.902039
96
Coordinates from ORCA-job orca E -6203.181726114674
  N      -3.550166      2.837652      4.049460
  Mo     -4.103231      4.044265      5.535134
  N      -4.759880      2.978869      7.082222
  C      -3.788961      2.474864      8.052686
  C      -2.527887      1.961019      7.355033
  N      -2.029277      2.957357      6.399826
  C      -1.414368      2.394951      5.192583
  C      -2.487070      1.857958      4.246817
  C      -1.277684      4.057849      7.013233
  C      -1.480703      5.347543      6.223972
  N      -2.898333      5.578770      5.948914
  H      -2.011375      1.614885      3.277842
  H      -2.891475      0.901275      4.637033
  H      -0.878548      3.211654      4.686435
  H      -0.675409      1.605689      5.434812
  H      -1.072486      6.187924      6.815635
  H      -0.890533      5.318436      5.286381
  H      -1.678363      4.202855      8.027069
  H      -0.199633      3.819499      7.108177
  H      -4.225088      1.640074      8.628129
  H      -3.517841      3.254281      8.792028
  H      -2.787751      1.055663      6.788266
  H      -1.752822      1.683824      8.097210
  C      -4.420887      2.545009      2.912945
  C      -5.537858      1.549350      3.249283
  C      -6.517800      1.335945      2.078954
  C      -5.897035      0.634184      0.905719
  N      -5.562558      1.374680     -0.148340
  C      -4.951253      0.743537     -1.187629
  N      -4.634900     -0.531872     -1.288509
  C      -4.984508     -1.318861     -0.225845
  C      -4.692485     -2.704477     -0.268207
  C      -5.046033     -3.518300      0.787696
  C      -5.705681     -2.984692      1.920018
  C      -5.998536     -1.637604      1.988123
  C      -5.640774     -0.774059      0.921630
  C      -3.229553      6.991675      5.770374
  C      -2.747106      7.613194      4.448384
  C      -3.426748      7.030709      3.210912
  C      -4.896060      7.351921      3.082253
  N      -5.403838      8.297596      3.860583
  C      -6.740839      8.533411      3.774239
  N      -7.626226      7.904960      3.029158
  C      -7.125180      6.934245      2.203815
  C      -8.015838      6.200796      1.381827
  C      -7.529661      5.230316      0.528718
  C      -6.143185      4.966657      0.454564
  C      -5.257972      5.661593      1.253579
  C      -5.727653      6.643044      2.158382
  C      -6.166359      2.669741      7.355551
  C      -7.030307      3.875774      7.729060
  C      -8.498590      3.498988      7.919903
  C      -9.260209      3.160201      6.659056
  N      -8.662814      3.337880      5.491562
  C      -9.368847      3.057825      4.363898
  N     -10.601256      2.596526      4.279946
  C     -11.243974      2.395716      5.473322
  C     -12.571900      1.900088      5.467238
  C     -13.245902      1.709095      6.656184
  C     -12.624836      2.004022      7.892245
  C     -11.329077      2.480157      7.926731
  C     -10.609441      2.680096      6.722441
  H      -3.814365      2.159776      2.070904
  H      -4.884045      3.482942      2.579827
  H      -6.105040      1.950010      4.103976
  H      -5.106422      0.586314      3.566482
  H      -7.387527      0.767696      2.441708
  H      -6.880380      2.313971      1.733108
  H      -4.688339      1.383375     -2.036407
  H      -4.191602     -3.095641     -1.154854
  H      -4.821308     -4.585722      0.751332
  H      -5.986028     -3.645532      2.741669
  H      -6.512768     -1.234638      2.861070
  H      -4.317345      7.103625      5.840518
  H      -2.782918      7.568958      6.603310
  H      -1.657522      7.483343      4.349787
  H      -2.939246      8.694840      4.498422
  H      -2.914495      7.387413      2.299699
  H      -3.310648      5.934809      3.203639
  H      -7.116884      9.335398      4.418505
  H      -9.080564      6.429974      1.447957
  H      -8.217299      4.658124     -0.096554
  H      -5.782282      4.178245     -0.207278
  H      -4.191127      5.442985      1.201645
  H      -6.215897      1.922139      8.168260
  H      -6.610472      2.200803      6.462863
  H      -6.649788      4.326552      8.659821
  H      -6.937906      4.624206      6.928981
  H      -8.594955      2.657345      8.628991
  H      -9.036693      4.334353      8.402855
  H      -8.835767      3.241004      3.423195
  H     -13.032930      1.682639      4.502771
  H     -14.269456      1.330581      6.646826
  H     -13.175300      1.852307      8.821843
  H     -10.855754      2.708594      8.882398
  N      -5.475665      4.768209      4.907512
96
Coordinates from ORCA-job orca E -6203.181732115294
  N      -3.572914      2.850075      4.044178
  Mo     -4.116246      4.050443      5.538643
  N      -4.764521      2.977494      7.084231
  C      -3.787825      2.465058      8.044525
  C      -2.530986      1.956109      7.335853
  N      -2.037457      2.959197      6.385249
  C      -1.428540      2.405521      5.170908
  C      -2.505826      1.872261      4.228244
  C      -1.282805      4.054976      7.003118
  C      -1.489367      5.349898      6.223768
  N      -2.908082      5.581955      5.954830
  H      -2.035887      1.637034      3.254446
  H      -2.904948      0.911756      4.614363
  H      -0.896829      3.226348      4.667132
  H      -0.686943      1.615882      5.403800
  H      -1.079529      6.186617      6.819435
  H      -0.902756      5.327624      5.283780
  H      -1.679008      4.192920      8.019697
  H      -0.204416      3.815673      7.091728
  H      -4.220577      1.625388      8.615381
  H      -3.512522      3.238197      8.788889
  H      -2.794089      1.054859      6.764114
  H      -1.751932      1.673399      8.071791
  C      -4.451415      2.559446      2.913306
  C      -5.550085      1.543466      3.248699
  C      -6.533826      1.321685      2.083011
  C      -5.912734      0.624880      0.907105
  N      -5.591395      1.366832     -0.149977
  C      -4.980886      0.739254     -1.192110
  N      -4.653535     -0.533352     -1.292858
  C      -4.989224     -1.321690     -0.226819
  C      -4.684428     -2.704620     -0.268617
  C      -5.024236     -3.519973      0.790564
  C      -5.682627     -2.990728      1.925701
  C      -5.987628     -1.646304      1.993295
  C      -5.643714     -0.781058      0.923578
  C      -3.238806      6.996332      5.786732
  C      -2.745190      7.628467      4.474144
  C      -3.407915      7.046526      3.227599
  C      -4.876007      7.365150      3.081278
  N      -5.395290      8.309848      3.853117
  C      -6.731108      8.544933      3.747761
  N      -7.605195      7.917989      2.988199
  C      -7.092196      6.946906      2.170624
  C      -7.970467      6.213400      1.335495
  C      -7.471934      5.240923      0.491806
  C      -6.084796      4.975644      0.440356
  C      -5.211513      5.671392      1.251249
  C      -5.694241      6.654902      2.146858
  C      -6.169111      2.664169      7.363823
  C      -7.036394      3.868621      7.733903
  C      -8.503295      3.488896      7.927836
  C      -9.266287      3.141474      6.670112
  N      -8.668662      3.303219      5.500415
  C      -9.378244      3.016676      4.376368
  N     -10.613887      2.563397      4.298180
  C     -11.256433      2.377722      5.494119
  C     -12.587358      1.889982      5.494480
  C     -13.260576      1.713844      6.686116
  C     -12.636033      2.016530      7.918510
  C     -11.337641      2.485647      7.946705
  C     -10.618520      2.670084      6.739517
  H      -3.847916      2.193154      2.060329
  H      -4.930778      3.494692      2.595964
  H      -6.118025      1.926810      4.110931
  H      -5.101501      0.584766      3.555050
  H      -7.395770      0.744634      2.450351
  H      -6.908073      2.295841      1.738710
  H      -4.729667      1.379656     -2.043954
  H      -4.185003     -3.092584     -1.157484
  H      -4.789636     -4.585288      0.754688
  H      -5.952338     -3.652854      2.749873
  H      -6.501033     -1.246802      2.868310
  H      -4.327274      7.106640      5.848753
  H      -2.799443      7.566452      6.628463
  H      -1.653718      7.506960      4.387060
  H      -2.945697      8.708415      4.527339
  H      -2.885727      7.404988      2.322734
  H      -3.289197      5.950883      3.221060
  H      -7.117028      9.345237      4.388261
  H      -9.035840      6.443886      1.384476
  H      -8.150133      4.668293     -0.143267
  H      -5.714882      4.185199     -0.214051
  H      -4.144335      5.451194      1.216831
  H      -6.212846      1.920469      8.180294
  H      -6.615001      2.189458      6.474992
  H      -6.655656      4.324357      8.662180
  H      -6.947011      4.614529      6.931059
  H      -8.597712      2.650333      8.640899
  H      -9.042778      4.325480      8.407000
  H      -8.845024      3.187151      3.433392
  H     -13.051286      1.666214      4.532849
  H     -14.286353      1.341312      6.681735
  H     -13.185973      1.876349      8.850225
  H     -10.861570      2.720238      8.899536
  N      -5.490239      4.779962      4.920573
96
Coordinates from ORCA-job orca E -6203.181735925924
  N      -3.570667      2.846032      4.047290
  Mo     -4.114888      4.048855      5.539471
  N      -4.764721      2.978948      7.086443
  C      -3.788630      2.469104      8.048742
  C      -2.531677      1.957549      7.342105
  N      -2.036970      2.957972      6.389210
  C      -1.428049      2.400831      5.176440
  C      -2.505391      1.866850      4.234319
  C      -1.281795      4.054775      7.004635
  C      -1.488103      5.348406      6.222888
  N      -2.906859      5.580794      5.954096
  H      -2.035049      1.628847      3.261392
  H      -2.906215      0.907780      4.622190
  H      -0.895241      3.219989      4.671103
  H      -0.687368      1.610974      5.411505
  H      -1.077586      6.186014      6.816833
  H      -0.901931      5.324124      5.282678
  H      -1.677634      4.194833      8.021061
  H      -0.203473      3.815270      7.093367
  H      -4.221920      1.631489      8.622209
  H      -3.513248      3.244552      8.790672
  H      -2.795065      1.055015      6.772532
  H      -1.753278      1.676258      8.079266
  C      -4.445934      2.557767      2.913555
  C      -5.549171      1.545750      3.245477
  C      -6.529037      1.326663      2.076078
  C      -5.905864      0.628579      0.902050
  N      -5.579071      1.369895     -0.153749
  C      -4.967615      0.740774     -1.194390
  N      -4.643733     -0.532746     -1.294559
  C      -4.984829     -1.320417     -0.229717
  C      -4.684127     -2.704250     -0.271146
  C      -5.029661     -3.518976      0.786672
  C      -5.689919     -2.988133      1.920000
  C      -5.991026     -1.642813      1.987168
  C      -5.641140     -0.778192      0.918896
  C      -3.236755      6.995109      5.783096
  C      -2.744813      7.624649      4.468464
  C      -3.410511      7.042777      3.223256
  C      -4.878680      7.362749      3.079968
  N      -5.394685      8.309228      3.851847
  C      -6.730641      8.545150      3.750631
  N      -7.607803      7.917203      2.995482
  C      -7.098220      6.944716      2.177501
  C      -7.980092      6.210151      1.347143
  C      -7.485228      5.236651      0.502559
  C      -6.098253      4.971572      0.445254
  C      -5.221382      5.668132      1.251753
  C      -5.700442      6.652309      2.148654
  C      -6.169640      2.667464      7.366015
  C      -7.036039      3.873451      7.733145
  C      -8.503370      3.495158      7.927070
  C      -9.265419      3.145498      6.669342
  N      -8.667788      3.308517      5.499918
  C      -9.375615      3.018875      4.375621
  N     -10.609977      2.562286      4.296998
  C     -11.252869      2.376297      5.492718
  C     -12.582780      1.886074      5.492507
  C     -13.256662      1.709914      6.683811
  C     -12.633620      2.015029      7.916414
  C     -11.335985      2.486348      7.945145
  C     -10.616372      2.670846      6.738361
  H      -3.840968      2.189932      2.062294
  H      -4.921360      3.494549      2.595105
  H      -6.119183      1.932149      4.105019
  H      -5.105272      0.585839      3.554827
  H      -7.393984      0.751809      2.439929
  H      -6.899458      2.301949      1.730807
  H      -4.711784      1.380800     -2.045148
  H      -4.183209     -3.093389     -1.158657
  H      -4.798217     -4.584990      0.751092
  H      -5.964200     -3.649698      2.743107
  H      -6.505810     -1.242086      2.860797
  H      -4.325039      7.106355      5.846458
  H      -2.795794      7.566633      6.623033
  H      -1.653683      7.501470      4.379534
  H      -2.943711      8.704963      4.520809
  H      -2.889823      7.400919      2.317396
  H      -3.292599      5.947055      3.216520
  H      -7.113725      9.347099      4.390763
  H      -9.045287      6.440466      1.400743
  H      -8.166185      4.662856     -0.128560
  H      -5.730994      4.180753     -0.210177
  H      -4.154407      5.447721      1.212903
  H      -6.214397      1.925507      8.184035
  H      -6.615414      2.191161      6.477985
  H      -6.655578      4.330755      8.660749
  H      -6.945718      4.617602      6.928809
  H      -8.598783      2.658300      8.642070
  H      -9.042793      4.333194      8.403798
  H      -8.841944      3.189471      3.432895
  H     -13.045629      1.660453      4.530780
  H     -14.281733      1.335466      6.678941
  H     -13.184070      1.875038      8.847861
  H     -10.861261      2.723225      8.898160
  N      -5.488763      4.776577      4.919315
96
Coordinates from ORCA-job orca E -6203.181737985929
  N      -3.575668      2.848822      4.047898
  Mo     -4.117808      4.051149      5.541067
  N      -4.766851      2.980471      7.087811
  C      -3.789726      2.469607      8.048619
  C      -2.533762      1.957661      7.340432
  N      -2.039339      2.958582      6.387887
  C      -1.431888      2.402140      5.174093
  C      -2.510547      1.869103      4.232939
  C      -1.282985      4.054414      7.003546
  C      -1.489852      5.349053      6.223651
  N      -2.908850      5.582228      5.956429
  H      -2.041487      1.631595      3.259272
  H      -2.911168      0.909889      4.620619
  H      -0.899682      3.221598      4.668561
  H      -0.690942      1.612123      5.407792
  H      -1.078563      6.185849      6.818234
  H      -0.904724      5.325978      5.282768
  H      -1.677383      4.193353      8.020689
  H      -0.204643      3.814439      7.090519
  H      -4.222708      1.632119      8.622465
  H      -3.513055      3.244781      8.790357
  H      -2.798381      1.055731      6.770482
  H      -1.754873      1.675356      8.076673
  C      -4.451017      2.563059      2.913811
  C      -5.552292      1.548287      3.243099
  C      -6.530836      1.329463      2.072659
  C      -5.906918      0.631154      0.899166
  N      -5.579225      1.372258     -0.156410
  C      -4.967080      0.742931     -1.196492
  N      -4.643386     -0.530650     -1.296241
  C      -4.985521     -1.318207     -0.231578
  C      -4.685203     -2.702113     -0.272698
  C      -5.031789     -3.516673      0.784915
  C      -5.692662     -2.985521      1.917743
  C      -5.993372     -1.640109      1.984615
  C      -5.642515     -0.775691      0.916495
  C      -3.237675      6.996808      5.785813
  C      -2.742722      7.627054      4.472679
  C      -3.404096      7.044615      3.225362
  C      -4.872087      7.363364      3.077296
  N      -5.391437      8.309520      3.847328
  C      -6.727352      8.543835      3.742013
  N      -7.601656      7.913958      2.985106
  C      -7.088531      6.941794      2.168983
  C      -7.967164      6.205137      1.336992
  C      -7.468435      5.232560      0.493616
  C      -6.080752      4.970758      0.438921
  C      -5.207007      5.669156      1.247235
  C      -5.690184      6.652008      2.143438
  C      -6.171430      2.668340      7.368672
  C      -7.038953      3.874152      7.733468
  C      -8.505710      3.493998      7.929131
  C      -9.269186      3.141688      6.672974
  N      -8.673522      3.303028      5.502313
  C      -9.382732      3.010313      4.379688
  N     -10.616781      2.552339      4.303899
  C     -11.257778      2.368511      5.501025
  C     -12.587365      1.877429      5.503933
  C     -13.259472      1.703807      6.696656
  C     -12.634852      2.012426      7.927605
  C     -11.337324      2.484302      7.953288
  C     -10.619572      2.666229      6.745065
  H      -3.846368      2.199826      2.060339
  H      -4.928251      3.500329      2.599614
  H      -6.123467      1.931924      4.103167
  H      -5.106931      0.588596      3.551119
  H      -7.396454      0.754880      2.435395
  H      -6.900814      2.304796      1.726956
  H      -4.710387      1.382853     -2.047085
  H      -4.183796     -3.091445     -1.159848
  H      -4.800641     -4.582754      0.749588
  H      -5.967745     -3.646897      2.740732
  H      -6.508538     -1.239180      2.857915
  H      -4.326064      7.108305      5.846947
  H      -2.798244      7.567548      6.627099
  H      -1.651199      7.505294      4.386861
  H      -2.943225      8.707085      4.524725
  H      -2.880773      7.403099      2.321176
  H      -3.285447      5.948939      3.219127
  H      -7.113149      9.346102      4.380105
  H      -9.032977      6.433042      1.388499
  H      -8.146740      4.656716     -0.138488
  H      -5.710592      4.180525     -0.215590
  H      -4.139547      5.450903      1.210527
  H      -6.214856      1.928509      8.188651
  H      -6.617563      2.189264      6.482265
  H      -6.658946      4.333803      8.660087
  H      -6.949939      4.616873      6.927717
  H      -8.598878      2.657874      8.645348
  H      -9.045683      4.331923      8.405405
  H      -8.850538      3.179104      3.435719
  H     -13.051593      1.648980      4.543551
  H     -14.284282      1.328649      6.694150
  H     -13.183918      1.874748      8.860203
  H     -10.861530      2.724041      8.905095
  N      -5.491751      4.779608      4.921994
96
Coordinates from ORCA-job orca E -6203.181738450477
  N      -3.576803      2.847834      4.047989
  Mo     -4.117922      4.050070      5.541532
  N      -4.765286      2.979394      7.088950
  C      -3.786839      2.468696      8.048560
  C      -2.531484      1.957003      7.339094
  N      -2.038073      2.958128      6.386187
  C      -1.431626      2.401936      5.171806
  C      -2.511178      1.868452      4.232043
  C      -1.281446      4.054176      7.001107
  C      -1.489886      5.348871      6.221735
  N      -2.909348      5.581604      5.956392
  H      -2.043230      1.630792      3.257891
  H      -2.911065      0.909266      4.620492
  H      -0.900442      3.221599      4.665536
  H      -0.690018      1.612321      5.404744
  H      -1.078166      6.185691      6.816013
  H      -0.906012      5.326302      5.280078
  H      -1.674477      4.192694      8.018836
  H      -0.202874      3.814686      7.086486
  H      -4.218948      1.631283      8.623146
  H      -3.509441      3.244129      8.789780
  H      -2.796633      1.055148      6.769280
  H      -1.751894      1.674692      8.074579
  C      -4.452468      2.561828      2.914298
  C      -5.551413      1.544425      3.243054
  C      -6.529561      1.324580      2.072512
  C      -5.904565      0.628097      0.898473
  N      -5.578330      1.370438     -0.156623
  C      -4.965082      0.743117     -1.197172
  N      -4.639078     -0.529799     -1.297876
  C      -4.979705     -1.318763     -0.233700
  C      -4.676897     -2.702081     -0.275847
  C      -5.021817     -3.518007      0.781285
  C      -5.683358     -2.988818      1.914631
  C      -5.986498     -1.644010      1.982505
  C      -5.637502     -0.778253      0.914882
  C      -3.238931      6.996052      5.786189
  C      -2.746118      7.626796      4.472499
  C      -3.408518      7.044261      3.225713
  C      -4.877052      7.361472      3.079739
  N      -5.396448      8.306518      3.851108
  C      -6.732868      8.538922      3.748228
  N      -7.607644      7.907531      2.993125
  C      -7.094493      6.936696      2.175465
  C      -7.973550      6.198909      1.344928
  C      -7.474794      5.228038      0.499629
  C      -6.086688      4.968985      0.441549
  C      -5.212518      5.668265      1.248735
  C      -5.695690      6.649449      2.146819
  C      -6.169427      2.666563      7.371275
  C      -7.037328      3.872334      7.735327
  C      -8.504208      3.492027      7.930524
  C      -9.267388      3.141897      6.673654
  N      -8.668890      3.299066      5.503844
  C      -9.377552      3.008755      4.380314
  N     -10.613788      2.557040      4.302799
  C     -11.257699      2.377459      5.498998
  C     -12.589772      1.893279      5.499938
  C     -13.264740      1.723593      6.691627
  C     -12.640449      2.029390      7.923446
  C     -11.340584      2.494763      7.951029
  C     -10.620025      2.672779      6.743935
  H      -3.847957      2.201475      2.059536
  H      -4.931995      3.498616      2.602214
  H      -6.123166      1.926318      4.103550
  H      -5.104141      0.585412      3.550396
  H      -7.394293      0.748282      2.434711
  H      -6.901277      2.299470      1.727385
  H      -4.709718      1.384328     -2.047218
  H      -4.174961     -3.089876     -1.163372
  H      -4.788793     -4.583652      0.745159
  H      -5.957042     -3.651227      2.737257
  H      -6.502066     -1.244614      2.856270
  H      -4.327333      7.106979      5.848664
  H      -2.798722      7.566918      6.626986
  H      -1.654610      7.505911      4.385263
  H      -2.947483      8.706640      4.525102
  H      -2.886662      7.403912      2.321153
  H      -3.288854      5.948689      3.218647
  H      -7.118643      9.340755      4.386870
  H      -9.039683      6.424699      1.398960
  H      -8.153362      4.651377     -0.131457
  H      -5.716412      4.180133     -0.214588
  H      -4.144749      5.451972      1.209482
  H      -6.211695      1.927982      8.192423
  H      -6.616112      2.185930      6.485966
  H      -6.657914      4.332328      8.662000
  H      -6.948267      4.614811      6.929386
  H      -8.597241      2.654553      8.645241
  H      -9.043918      4.329192      8.408328
  H      -8.843079      3.174135      3.437048
  H     -13.053632      1.666842      4.538905
  H     -14.291452      1.353678      6.687592
  H     -13.191638      1.894882      8.855262
  H     -10.865164      2.732237      8.903598
  N      -5.492740      4.777771      4.923610
96
Coordinates from ORCA-job orca E -6203.181738969417
  N      -3.577580      2.848498      4.047958
  Mo     -4.117525      4.050836      5.541762
  N      -4.764735      2.980167      7.089193
  C      -3.785852      2.468980      8.048147
  C      -2.531051      1.956870      7.338024
  N      -2.037534      2.958019      6.385186
  C      -1.431816      2.401914      5.170421
  C      -2.512080      1.868814      4.231281
  C      -1.280275      4.053700      6.999998
  C      -1.488795      5.348652      6.221110
  N      -2.908340      5.581927      5.956624
  H      -2.044895      1.630952      3.256821
  H      -2.912036      0.909793      4.620052
  H      -0.900846      3.221569      4.663908
  H      -0.690177      1.612176      5.402834
  H      -1.076526      6.185176      6.815450
  H      -0.905445      5.326230      5.279132
  H      -1.672535      4.191983      8.018051
  H      -0.201694      3.813936      7.084521
  H      -4.217954      1.631806      8.623064
  H      -3.507674      3.244368      8.789126
  H      -2.796908      1.055323      6.768063
  H      -1.751318      1.673994      8.073137
  C      -4.454035      2.562404      2.914822
  C      -5.551998      1.543990      3.243851
  C      -6.530119      1.323480      2.073444
  C      -5.904851      0.626914      0.899565
  N      -5.578788      1.369151     -0.155657
  C      -4.965136      0.741954     -1.196020
  N      -4.638763     -0.530885     -1.296540
  C      -4.979289     -1.319799     -0.232278
  C      -4.676122     -2.703036     -0.274239
  C      -5.020846     -3.518909      0.783007
  C      -5.682514     -2.989743      1.916272
  C      -5.986036     -1.645007      1.983969
  C      -5.637291     -0.779329      0.916218
  C      -3.237559      6.996432      5.786274
  C      -2.745908      7.626679      4.471920
  C      -3.409529      7.044070      3.225822
  C      -4.878241      7.361088      3.081168
  N      -5.397298      8.305652      3.853337
  C      -6.733918      8.537510      3.751845
  N      -7.609213      7.905545      2.997820
  C      -7.096373      6.935437      2.179121
  C      -7.975884      6.197436      1.349245
  C      -7.477370      5.227648      0.502560
  C      -6.089110      4.969771      0.442494
  C      -5.214523      5.669086      1.249226
  C      -5.697407      6.649225      2.148598
  C      -6.168722      2.666909      7.371672
  C      -7.036967      3.872549      7.735369
  C      -8.503879      3.491810      7.929810
  C      -9.266478      3.142691      6.672344
  N      -8.667323      3.300719      5.502946
  C      -9.375496      3.011670      4.378816
  N     -10.611773      2.560194      4.300256
  C     -11.256329      2.379688      5.495952
  C     -12.588492      1.895805      5.495728
  C     -13.264141      1.725102      6.686895
  C     -12.640401      2.029536      7.919315
  C     -11.340495      2.494745      7.948026
  C     -10.619265      2.673848      6.741502
  H      -3.849967      2.203084      2.059318
  H      -4.934578      3.499007      2.603704
  H      -6.123807      1.925425      4.104509
  H      -5.103855      0.585356      3.551080
  H      -7.394790      0.747093      2.435657
  H      -6.902084      2.298160      1.727987
  H      -4.709940      1.383231     -2.046069
  H      -4.174057     -3.090807     -1.161702
  H      -4.787570     -4.584504      0.747014
  H      -5.956016     -3.652107      2.739000
  H      -6.501719     -1.245641      2.857688
  H      -4.325864      7.107743      5.849770
  H      -2.796321      7.567441      6.626436
  H      -1.654517      7.505480      4.383613
  H      -2.946971      8.706582      4.524495
  H      -2.888417      7.403773      2.320857
  H      -3.289989      5.948484      3.218588
  H      -7.119398      9.339124      4.390937
  H      -9.042115      6.422413      1.404654
  H      -8.156224      4.650964     -0.128193
  H      -5.719032      4.181833     -0.214835
  H      -4.146616      5.453633      1.208531
  H      -6.210762      1.928765      8.193225
  H      -6.615346      2.185690      6.486636
  H      -6.658186      4.332410      8.662356
  H      -6.947749      4.615160      6.929577
  H      -8.596776      2.653667      8.643734
  H      -9.043847      4.328399      8.408321
  H      -8.840626      3.177829      3.435937
  H     -13.051885      1.670454      4.534214
  H     -14.290935      1.355418      6.681955
  H     -13.192026      1.894157      8.850750
  H     -10.865508      2.730946      8.901103
  N      -5.492333      4.778844      4.924259
96
Coordinates from ORCA-job orca E -6203.181740226948
  N      -3.578602      2.849690      4.047912
  Mo     -4.117227      4.051959      5.542192
  N      -4.764226      2.981162      7.089577
  C      -3.784831      2.469439      8.047769
  C      -2.530696      1.956905      7.336829
  N      -2.037083      2.958122      6.384107
  C      -1.432248      2.402164      5.168844
  C      -2.513289      1.869608      4.230296
  C      -1.279091      4.053339      6.998872
  C      -1.487701      5.348667      6.220645
  N      -2.907319      5.582518      5.957094
  H      -2.046940      1.631699      3.255452
  H      -2.913365      0.910709      4.619230
  H      -0.901428      3.221832      4.662202
  H      -0.690642      1.612193      5.400568
  H      -1.074842      6.184824      6.815106
  H      -0.904897      5.326459      5.278326
  H      -1.670477      4.191277      8.017299
  H      -0.200501      3.813247      7.082421
  H      -4.216888      1.632477      8.623013
  H      -3.505785      3.244736      8.788516
  H      -2.797339      1.055737      6.766649
  H      -1.750791      1.673339      8.071497
  C      -4.455879      2.563877      2.915272
  C      -5.553115      1.544639      3.244338
  C      -6.531047      1.323667      2.073851
  C      -5.905478      0.626501      0.900471
  N      -5.578899      1.368206     -0.154986
  C      -4.965075      0.740434     -1.194912
  N      -4.639028     -0.532540     -1.294839
  C      -4.980071     -1.320902     -0.230351
  C      -4.677302     -2.704248     -0.271688
  C      -5.022518     -3.519595      0.785807
  C      -5.684293     -2.989787      1.918695
  C      -5.987464     -1.644930      1.985781
  C      -5.638230     -0.779791      0.917761
  C      -3.236221      6.997105      5.786791
  C      -2.745609      7.627079      4.471903
  C      -3.409979      7.044319      3.226294
  C      -4.878908      7.360702      3.082600
  N      -5.398151      8.304446      3.855610
  C      -6.735045      8.535234      3.755283
  N      -7.610396      7.902812      3.001712
  C      -7.097319      6.933778      2.181906
  C      -7.976781      6.195586      1.352153
  C      -7.478005      5.227011      0.504234
  C      -6.089543      4.970459      0.442863
  C      -5.215006      5.669912      1.249532
  C      -5.698115      6.648873      2.150036
  C      -6.168031      2.667391      7.372199
  C      -7.036664      3.872906      7.735454
  C      -8.503619      3.491900      7.929093
  C      -9.265451      3.143384      6.671030
  N      -8.665728      3.302504      5.502048
  C      -9.373270      3.014246      4.377339
  N     -10.609355      2.562373      4.297761
  C     -11.254406      2.380533      5.492966
  C     -12.586331      1.896021      5.491658
  C     -13.262486      1.723910      6.682333
  C     -12.639482      2.027490      7.915320
  C     -11.339848      2.493383      7.945094
  C     -10.618106      2.673946      6.739090
  H      -3.852213      2.205520      2.059065
  H      -4.937219      3.500405      2.605178
  H      -6.125096      1.925670      4.105061
  H      -5.104342      0.586274      3.551446
  H      -7.395920      0.747566      2.436024
  H      -6.902798      2.298217      1.727797
  H      -4.709439      1.381368     -2.045080
  H      -4.175116     -3.092519     -1.158862
  H      -4.789564     -4.585279      0.750284
  H      -5.958159     -3.651739      2.741635
  H      -6.503251     -1.245068      2.859215
  H      -4.324419      7.108825      5.851287
  H      -2.793987      7.568135      6.626418
  H      -1.654285      7.505847      4.382747
  H      -2.946604      8.707002      4.524467
  H      -2.889514      7.404303      2.321067
  H      -3.290170      5.948762      3.218824
  H      -7.120697      9.336274      4.394990
  H      -9.043171      6.419570      1.408515
  H      -8.156797      4.650302     -0.126566
  H      -5.719246      4.183535     -0.215532
  H      -4.146924      5.455424      1.207929
  H      -6.209875      1.929651      8.194125
  H      -6.614492      2.185591      6.487376
  H      -6.658414      4.332712      8.662678
  H      -6.947239      4.615539      6.929710
  H      -8.596652      2.653343      8.642500
  H      -9.043919      4.328085      8.407929
  H      -8.838187      3.181721      3.434840
  H     -13.049124      1.671407      4.529680
  H     -14.289122      1.353793      6.676546
  H     -13.191435      1.890917      8.846389
  H     -10.865415      2.728789      8.898627
  N      -5.492032      4.780335      4.925215
96
Coordinates from ORCA-job orca E -6203.181739924591
  N      -3.578454      2.850417      4.047940
  Mo     -4.116716      4.052540      5.542439
  N      -4.763689      2.981593      7.089716
  C      -3.784073      2.469780      8.047660
  C      -2.530159      1.957124      7.336451
  N      -2.036474      2.958395      6.383818
  C      -1.431939      2.402532      5.168370
  C      -2.513211      1.870185      4.229971
  C      -1.278272      4.053474      6.998587
  C      -1.486978      5.348980      6.220651
  N      -2.906609      5.582957      5.957436
  H      -2.047134      1.632320      3.254991
  H      -2.913363      0.911319      4.618903
  H      -0.901160      3.222238      4.661745
  H      -0.690345      1.612467      5.399811
  H      -1.073964      6.184996      6.815208
  H      -0.904319      5.326903      5.278234
  H      -1.669301      4.191212      8.017171
  H      -0.199660      3.813330      7.081728
  H      -4.216084      1.632932      8.623098
  H      -3.504729      3.245116      8.788249
  H      -2.797055      1.056123      6.766128
  H      -1.750225      1.673267      8.070983
  C      -4.456007      2.564783      2.915445
  C      -5.553360      1.545655      3.244549
  C      -6.531195      1.324824      2.073918
  C      -5.905591      0.626991      0.900956
  N      -5.578035      1.368247     -0.154534
  C      -4.964195      0.739817     -1.194059
  N      -4.639038     -0.533422     -1.293608
  C      -4.981042     -1.321292     -0.229086
  C      -4.679223     -2.704866     -0.269996
  C      -5.025372     -3.519730      0.787565
  C      -5.687158     -2.989202      1.920105
  C      -5.989430     -1.644118      1.986773
  C      -5.639255     -0.779469      0.918661
  C      -3.235618      6.997508      5.787103
  C      -2.745950      7.627339      4.471774
  C      -3.410688      7.044275      3.226514
  C      -4.879889      7.359639      3.083501
  N      -5.399684      8.302401      3.857309
  C      -6.736854      8.531935      3.757753
  N      -7.611926      7.899170      3.004152
  C      -7.098240      6.931341      2.183306
  C      -7.977294      6.193036      1.353227
  C      -7.477909      5.225711      0.504232
  C      -6.089228      4.970520      0.442114
  C      -5.215084      5.670080      1.249116
  C      -5.698773      6.647804      2.150634
  C      -6.167400      2.667403      7.372222
  C      -7.036266      3.872746      7.735591
  C      -8.503248      3.491636      7.928770
  C      -9.264803      3.143980      6.670317
  N      -8.664950      3.304337      5.501567
  C      -9.372323      3.017180      4.376482
  N     -10.608258      2.564975      4.296282
  C     -11.253374      2.381660      5.491213
  C     -12.585120      1.896645      5.489263
  C     -13.261359      1.723113      6.679675
  C     -12.638636      2.025729      7.913036
  C     -11.339198      2.492112      7.943443
  C     -10.617356      2.674102      6.737705
  H      -3.852459      2.206392      2.059167
  H      -4.937330      3.501352      2.605482
  H      -6.125353      1.926841      4.105192
  H      -5.104717      0.587240      3.551671
  H      -7.396463      0.749295      2.436029
  H      -6.902317      2.299469      1.727456
  H      -4.707779      1.380405     -2.044249
  H      -4.176981     -3.093694     -1.156895
  H      -4.793156     -4.585586      0.752360
  H      -5.961736     -3.650777      2.743112
  H      -6.505231     -1.243692      2.859940
  H      -4.323748      7.109329      5.852387
  H      -2.792725      7.568704      6.626276
  H      -1.654644      7.506321      4.382010
  H      -2.947088      8.707245      4.524284
  H      -2.890826      7.404633      2.321086
  H      -3.290258      5.948782      3.218858
  H      -7.123033      9.332057      4.398289
  H      -9.043881      6.415942      1.410179
  H      -8.156399      4.648973     -0.126868
  H      -5.718414      4.184569     -0.217138
  H      -4.146814      5.456605      1.207037
  H      -6.209184      1.929607      8.194101
  H      -6.613683      2.185560      6.487317
  H      -6.658170      4.332269      8.663013
  H      -6.946742      4.615561      6.930029
  H      -8.596421      2.652608      8.641605
  H      -9.043644      4.327447      8.408146
  H      -8.837222      3.185805      3.434207
  H     -13.047654      1.672851      4.526967
  H     -14.287863      1.352634      6.673398
  H     -13.190640      1.888002      8.843907
  H     -10.864956      2.726743      8.897255
  N      -5.491529      4.780933      4.925559
96
Coordinates from ORCA-job orca E -6203.181740234211
  N      -3.578798      2.851260      4.048097
  Mo     -4.116574      4.053223      5.542897
  N      -4.763401      2.982112      7.090122
  C      -3.783468      2.470227      8.047731
  C      -2.529836      1.957457      7.336131
  N      -2.036157      2.958788      6.383544
  C      -1.432033      2.403033      5.167851
  C      -2.513568      1.870925      4.229624
  C      -1.277664      4.053687      6.998267
  C      -1.486529      5.349414      6.220689
  N      -2.906175      5.583469      5.957870
  H      -2.047787      1.633276      3.254450
  H      -2.913702      0.912000      4.618425
  H      -0.901277      3.222785      4.661272
  H      -0.690463      1.612830      5.398924
  H      -1.073346      6.185279      6.815343
  H      -0.904045      5.327507      5.278150
  H      -1.668262      4.191202      8.017043
  H      -0.199032      3.813458      7.080924
  H      -4.215356      1.633464      8.623385
  H      -3.503790      3.245591      8.788156
  H      -2.797012      1.056620      6.765684
  H      -1.749816      1.673299      8.070464
  C      -4.456609      2.566021      2.915714
  C      -5.553948      1.546807      3.244622
  C      -6.531660      1.326207      2.073777
  C      -5.906002      0.627724      0.901248
  N      -5.577253      1.368550     -0.154193
  C      -4.963494      0.739376     -1.193328
  N      -4.639423     -0.534169     -1.292535
  C      -4.982565     -1.321547     -0.228039
  C      -4.681899     -2.705395     -0.268566
  C      -5.029194     -3.519781      0.788979
  C      -5.691026     -2.988490      1.921139
  C      -5.992199     -1.643141      1.987423
  C      -5.640841     -0.778962      0.919308
  C      -3.235301      6.998016      5.787740
  C      -2.746243      7.628000      4.472235
  C      -3.410751      7.044587      3.227034
  C      -4.880177      7.358834      3.084110
  N      -5.400886      8.300559      3.858533
  C      -6.738296      8.528801      3.759165
  N      -7.612710      7.895924      3.004905
  C      -7.098048      6.929282      2.183268
  C      -7.976315      6.190927      1.352408
  C      -7.475985      5.224683      0.502729
  C      -6.087093      4.970674      0.440701
  C      -5.213695      5.670331      1.248415
  C      -5.698328      6.646962      2.150591
  C      -6.167008      2.667569      7.372649
  C      -7.036056      3.872840      7.735903
  C      -8.503048      3.491788      7.928774
  C      -9.264280      3.144374      6.670055
  N      -8.664393      3.305777      5.501479
  C      -9.371470      3.018924      4.376130
  N     -10.607109      2.565981      4.295507
  C     -11.252204      2.381418      5.490254
  C     -12.583599      1.895409      5.487890
  C     -13.259834      1.720736      6.678125
  C     -12.637499      2.023177      7.911729
  C     -11.338407      2.490474      7.942552
  C     -10.616550      2.673573      6.736980
  H      -3.853164      2.207834      2.059270
  H      -4.938000      3.502655      2.606108
  H      -6.126031      1.927802      4.105291
  H      -5.105323      0.588303      3.551481
  H      -7.397295      0.751210      2.435819
  H      -6.902145      2.300963      1.726960
  H      -4.706071      1.379597     -2.043488
  H      -4.179584     -3.094814     -1.155165
  H      -4.797859     -4.585839      0.754063
  H      -5.966493     -3.649690      2.744150
  H      -6.508028     -1.242126      2.860302
  H      -4.323375      7.109924      5.853582
  H      -2.791930      7.569197      6.626684
  H      -1.654883      7.507531      4.382273
  H      -2.947828      8.707832      4.524735
  H      -2.891182      7.405308      2.321580
  H      -3.289544      5.949170      3.219294
  H      -7.125315      9.327897      4.400474
  H      -9.043107      6.412865      1.409379
  H      -8.153917      4.647892     -0.128927
  H      -5.715515      4.185507     -0.219032
  H      -4.145251      5.457698      1.206520
  H      -6.208688      1.929842      8.194589
  H      -6.613148      2.185531      6.487760
  H      -6.657939      4.332335      8.663329
  H      -6.946431      4.615601      6.930301
  H      -8.596563      2.652677      8.641478
  H      -9.043565      4.327519      8.408162
  H      -8.836424      3.188666      3.434017
  H     -13.045792      1.671837      4.525376
  H     -14.286068      1.349515      6.671537
  H     -13.189531      1.884547      8.842451
  H     -10.864433      2.725056      8.896511
  N      -5.491392      4.781651      4.926130
96
Coordinates from ORCA-job orca E -6203.181740265802
  N      -3.578090      2.851141      4.048125
  Mo     -4.116263      4.052964      5.542913
  N      -4.763050      2.981726      7.090090
  C      -3.783111      2.470065      8.047811
  C      -2.529307      1.957534      7.336342
  N      -2.035712      2.958940      6.383780
  C      -1.431402      2.403258      5.168153
  C      -2.512716      1.870993      4.229777
  C      -1.277454      4.053988      6.998508
  C      -1.486465      5.349661      6.220838
  N      -2.906099      5.583431      5.957871
  H      -2.046723      1.633521      3.254661
  H      -2.912732      0.911963      4.618437
  H      -0.900654      3.223066      4.661660
  H      -0.689780      1.613119      5.399290
  H      -1.073470      6.185619      6.815488
  H      -0.903845      5.327777      5.278375
  H      -1.668177      4.191492      8.017238
  H      -0.198792      3.813936      7.081287
  H      -4.214895      1.633226      8.623438
  H      -3.503664      3.245495      8.788253
  H      -2.796243      1.056642      6.765862
  H      -1.749309      1.673510      8.070751
  C      -4.455682      2.565823      2.915624
  C      -5.553370      1.547005      3.244565
  C      -6.531134      1.326678      2.073664
  C      -5.905523      0.628032      0.901225
  N      -5.576317      1.368798     -0.154115
  C      -4.962596      0.739454     -1.193157
  N      -4.638952     -0.534201     -1.292372
  C      -4.982517     -1.321505     -0.227959
  C      -4.682270     -2.705449     -0.268463
  C      -5.029942     -3.519745      0.789025
  C      -5.691749     -2.988263      1.921119
  C      -5.992531     -1.642831      1.987369
  C      -5.640803     -0.778738      0.919297
  C      -3.235552      6.997887      5.787653
  C      -2.746946      7.627843      4.471947
  C      -3.411587      7.044232      3.226904
  C      -4.881085      7.358207      3.084168
  N      -5.401901      8.299726      3.858762
  C      -6.739370      8.527702      3.759555
  N      -7.613713      7.894908      3.005152
  C      -7.098940      6.928491      2.183313
  C      -7.977135      6.190191      1.352338
  C      -7.476742      5.224085      0.502531
  C      -6.087832      4.970216      0.440457
  C      -5.214492      5.669848      1.248268
  C      -5.699188      6.646329      2.150582
  C      -6.166643      2.666985      7.372494
  C      -7.035735      3.872098      7.736248
  C      -8.502722      3.491064      7.929084
  C      -9.264123      3.144472      6.670222
  N      -8.664206      3.306311      5.501736
  C      -9.371361      3.020310      4.376223
  N     -10.607138      2.567811      4.295353
  C     -11.252277      2.382790      5.490005
  C     -12.583833      1.897209      5.487364
  C     -13.260112      1.722085      6.677499
  C     -12.637680      2.023648      7.911281
  C     -11.338436      2.490496      7.942370
  C     -10.616531      2.674037      6.736890
  H      -3.852117      2.207162      2.059474
  H      -4.936759      3.502476      2.605609
  H      -6.125372      1.928220      4.105182
  H      -5.105082      0.588332      3.551397
  H      -7.396886      0.751880      2.435722
  H      -6.901347      2.301541      1.726856
  H      -4.704807      1.379611     -2.043257
  H      -4.179949     -3.095013     -1.154995
  H      -4.798916     -4.585870      0.754126
  H      -5.967499     -3.649394      2.744090
  H      -6.508317     -1.241670      2.860205
  H      -4.323617      7.109672      5.853775
  H      -2.792014      7.569246      6.626391
  H      -1.655577      7.507559      4.381765
  H      -2.948649      8.707659      4.524411
  H      -2.892216      7.404849      2.321296
  H      -3.290211      5.948826      3.219302
  H      -7.126509      9.326522      4.401136
  H      -9.043957      6.411965      1.409399
  H      -8.154675      4.647298     -0.129131
  H      -5.716169      4.185138     -0.219340
  H      -4.146028      5.457317      1.206389
  H      -6.208257      1.928926      8.194140
  H      -6.612738      2.185237      6.487426
  H      -6.657419      4.331264      8.663753
  H      -6.946148      4.615100      6.930864
  H      -8.596334      2.651562      8.641327
  H      -9.043122      4.326566      8.409001
  H      -8.836210      3.190321      3.434218
  H     -13.046040      1.674349      4.524692
  H     -14.286457      1.351175      6.670722
  H     -13.189788      1.884689      8.841910
  H     -10.864364      2.724456      8.896441
  N      -5.491136      4.781142      4.925983
96
Coordinates from ORCA-job orca E -6203.181740329048
  N      -3.577196      2.850623      4.048304
  Mo     -4.116076      4.052405      5.542911
  N      -4.762839      2.981125      7.090115
  C      -3.782930      2.470013      8.048153
  C      -2.528802      1.957778      7.337028
  N      -2.035319      2.959178      6.384383
  C      -1.430657      2.403455      5.168961
  C      -2.511558      1.870845      4.230329
  C      -1.277446      4.054520      6.999010
  C      -1.486661      5.350006      6.221016
  N      -2.906259      5.583265      5.957694
  H      -2.045127      1.633620      3.255357
  H      -2.911347      0.911636      4.618784
  H      -0.899851      3.223270      4.662541
  H      -0.688988      1.613422      5.400344
  H      -1.073995      6.186187      6.815578
  H      -0.903766      5.328047      5.278711
  H      -1.668443      4.192164      8.017624
  H      -0.198750      3.814741      7.082092
  H      -4.214541      1.633123      8.623845
  H      -3.503919      3.245673      8.788517
  H      -2.795305      1.056701      6.766629
  H      -1.748868      1.674105      8.071639
  C      -4.454264      2.565135      2.915500
  C      -5.552329      1.546689      3.244266
  C      -6.530083      1.326752      2.073190
  C      -5.904380      0.628162      0.900796
  N      -5.574390      1.369076     -0.154192
  C      -4.960606      0.739727     -1.193173
  N      -4.637565     -0.534060     -1.292646
  C      -4.981854     -1.321501     -0.228562
  C      -4.682184     -2.705567     -0.269319
  C      -5.030510     -3.519987      0.787850
  C      -5.692428     -2.988497      1.919893
  C      -5.992677     -1.642969      1.986366
  C      -5.640290     -0.778735      0.918610
  C      -3.236146      6.997596      5.787311
  C      -2.747927      7.627547      4.471438
  C      -3.412618      7.043631      3.226575
  C      -4.882118      7.357569      3.083920
  N      -5.402880      8.299074      3.858565
  C      -6.740335      8.527156      3.759312
  N      -7.614686      7.894700      3.004651
  C      -7.099994      6.928179      2.182865
  C      -7.978251      6.190036      1.351826
  C      -7.478020      5.223647      0.502236
  C      -6.089176      4.969428      0.440404
  C      -5.215761      5.668950      1.248240
  C      -5.700297      6.645700      2.150361
  C      -6.166430      2.666290      7.372397
  C      -7.035427      3.871297      7.736823
  C      -8.502358      3.490354      7.929897
  C      -9.264172      3.144841      6.670948
  N      -8.664345      3.307234      5.502516
  C      -9.371633      3.022103      4.376863
  N     -10.607584      2.570143      4.295834
  C     -11.252681      2.384656      5.490447
  C     -12.584448      1.899633      5.487608
  C     -13.260681      1.724046      6.677690
  C     -12.638025      2.024609      7.911626
  C     -11.338576      2.490860      7.942899
  C     -10.616718      2.674836      6.737454
  H      -3.850398      2.205943      2.059803
  H      -4.934991      3.501770      2.604897
  H      -6.124339      1.927958      4.104847
  H      -5.104437      0.587763      3.550900
  H      -7.395874      0.751989      2.435186
  H      -6.900104      2.301751      1.726585
  H      -4.702164      1.379972     -2.043015
  H      -4.179753     -3.095129     -1.155790
  H      -4.799911     -4.586195      0.752757
  H      -5.968677     -3.649721      2.742619
  H      -6.508504     -1.241820      2.859184
  H      -4.324218      7.109212      5.853607
  H      -2.792518      7.569176      6.625852
  H      -1.656522      7.507611      4.381147
  H      -2.949886      8.707320      4.523841
  H      -2.893339      7.403783      2.320738
  H      -3.291219      5.948211      3.219419
  H      -7.127459      9.325799      4.401127
  H      -9.045037      6.412010      1.408794
  H      -8.156086      4.646907     -0.129326
  H      -5.717592      4.184092     -0.219135
  H      -4.147346      5.456126      1.206603
  H      -6.207977      1.927768      8.193635
  H      -6.612547      2.184968      6.487111
  H      -6.656597      4.330155      8.664270
  H      -6.945968      4.614487      6.931593
  H      -8.596064      2.650344      8.641546
  H      -9.042528      4.325586      8.410553
  H      -8.836393      3.192427      3.434950
  H     -13.046742      1.677584      4.524791
  H     -14.287164      1.353520      6.670808
  H     -13.190186      1.885340      8.842176
  H     -10.864285      2.724174      8.897031
  N      -5.490981      4.780094      4.925494
96
Coordinates from ORCA-job orca E -6203.181740362504
  N      -3.576993      2.850460      4.048465
  Mo     -4.116187      4.052207      5.542992
  N      -4.762919      2.980857      7.090181
  C      -3.783010      2.469996      8.048344
  C      -2.528736      1.957917      7.337361
  N      -2.035309      2.959352      6.384718
  C      -1.430472      2.403656      5.169377
  C      -2.511185      1.870891      4.230620
  C      -1.277621      4.054809      6.999349
  C      -1.486931      5.350224      6.221243
  N      -2.906513      5.583243      5.957707
  H      -2.044548      1.633822      3.255705
  H      -2.910817      0.911568      4.618953
  H      -0.899655      3.223488      4.662996
  H      -0.688766      1.613684      5.400866
  H      -1.074448      6.186496      6.815806
  H      -0.903886      5.328286      5.279026
  H      -1.668763      4.192491      8.017905
  H      -0.198910      3.815155      7.082582
  H      -4.214525      1.633071      8.624063
  H      -3.504193      3.245755      8.788676
  H      -2.795039      1.056767      6.766980
  H      -1.748829      1.674397      8.072057
  C      -4.453784      2.564898      2.915493
  C      -5.551813      1.546361      3.244045
  C      -6.529587      1.326607      2.072921
  C      -5.903864      0.628136      0.900476
  N      -5.573566      1.369198     -0.154305
  C      -4.959771      0.739953     -1.193329
  N      -4.637005     -0.533885     -1.293035
  C      -4.981589     -1.321481     -0.229151
  C      -4.682184     -2.705594     -0.270161
  C      -5.030747     -3.520161      0.786813
  C      -5.692649     -2.988763      1.918915
  C      -5.992659     -1.643198      1.985620
  C      -5.640046     -0.778816      0.918058
  C      -3.236549      6.997523      5.787191
  C      -2.748289      7.627457      4.471314
  C      -3.412829      7.043339      3.226468
  C      -4.882278      7.357418      3.083538
  N      -5.403071      8.299062      3.858002
  C      -6.740465      8.527380      3.758384
  N      -7.614735      7.895074      3.003506
  C      -7.100028      6.928293      2.182020
  C      -7.978237      6.190156      1.350931
  C      -7.478008      5.223450      0.501692
  C      -6.089203      4.968945      0.440257
  C      -5.215833      5.668478      1.248137
  C      -5.700384      6.645532      2.149926
  C      -6.166502      2.666029      7.372471
  C      -7.035410      3.870990      7.737284
  C      -8.502276      3.489998      7.930590
  C      -9.264359      3.144986      6.671644
  N      -8.664667      3.307707      5.503202
  C      -9.372044      3.022867      4.377528
  N     -10.608028      2.570999      4.296514
  C     -11.253036      2.385323      5.491155
  C     -12.584872      1.900480      5.488309
  C     -13.261012      1.724676      6.678411
  C     -12.638193      2.024827      7.912375
  C     -11.338672      2.490877      7.943647
  C     -10.616921      2.675083      6.738176
  H      -3.849765      2.205746      2.059891
  H      -4.934532      3.501501      2.604807
  H      -6.123854      1.927370      4.104717
  H      -5.103927      0.587344      3.550421
  H      -7.395346      0.751794      2.434906
  H      -6.899613      2.301663      1.726485
  H      -4.701059      1.380314     -2.043001
  H      -4.179746     -3.095072     -1.156665
  H      -4.800337     -4.586403      0.751532
  H      -5.969073     -3.650095      2.741495
  H      -6.508452     -1.242138      2.858502
  H      -4.324639      7.109048      5.853374
  H      -2.793028      7.569210      6.625713
  H      -1.656849      7.507742      4.381159
  H      -2.950454      8.707194      4.523654
  H      -2.893383      7.403069      2.320566
  H      -3.291569      5.947894      3.219702
  H      -7.127589      9.326186      4.399997
  H      -9.044992      6.412352      1.407603
  H      -8.156067      4.646682     -0.129852
  H      -5.717596      4.183370     -0.218999
  H      -4.147453      5.455435      1.206803
  H      -6.207992      1.927273      8.193507
  H      -6.612696      2.184931      6.487102
  H      -6.656297      4.329730      8.664675
  H      -6.946101      4.614270      6.932118
  H      -8.595883      2.649710      8.641926
  H      -9.042364      4.325044      8.411671
  H      -8.836794      3.193288      3.435635
  H     -13.047250      1.678749      4.525458
  H     -14.287540      1.354274      6.671551
  H     -13.190323      1.885398      8.842918
  H     -10.864229      2.723904      8.897777
  N      -5.491089      4.779649      4.925297
96
Coordinates from ORCA-job orca E -6203.181740355220
  N      -3.576803      2.850297      4.048777
  Mo     -4.116244      4.052181      5.543096
  N      -4.763091      2.980896      7.090299
  C      -3.783242      2.470376      8.048693
  C      -2.528836      1.958280      7.337949
  N      -2.035337      2.959616      6.385228
  C      -1.430345      2.403767      5.170037
  C      -2.510913      1.870866      4.231194
  C      -1.277742      4.055171      6.999782
  C      -1.487032      5.350464      6.221454
  N      -2.906576      5.583327      5.957642
  H      -2.044074      1.633789      3.256374
  H      -2.910479      0.911509      4.619513
  H      -0.899416      3.223499      4.663612
  H      -0.688695      1.613804      5.401742
  H      -1.074692      6.186839      6.815972
  H      -0.903815      5.328447      5.279341
  H      -1.669032      4.193020      8.018262
  H      -0.199040      3.815554      7.083201
  H      -4.214723      1.633524      8.624551
  H      -3.504580      3.246324      8.788886
  H      -2.794999      1.057023      6.767670
  H      -1.749010      1.674927      8.072794
  C      -4.453277      2.564583      2.915630
  C      -5.551157      1.545823      3.243912
  C      -6.529033      1.326330      2.072798
  C      -5.903418      0.627972      0.900239
  N      -5.572756      1.369206     -0.154298
  C      -4.959090      0.740079     -1.193450
  N      -4.636810     -0.533853     -1.293517
  C      -4.981733     -1.321634     -0.229864
  C      -4.682803     -2.705828     -0.271268
  C      -5.031616     -3.520574      0.785485
  C      -5.693302     -2.989256      1.917754
  C      -5.992884     -1.643617      1.984822
  C      -5.640039     -0.779065      0.917481
  C      -3.236652      6.997576      5.786898
  C      -2.748372      7.627418      4.470961
  C      -3.412915      7.043065      3.226229
  C      -4.882315      7.357371      3.083184
  N      -5.403034      8.299117      3.857584
  C      -6.740365      8.527736      3.757739
  N      -7.614665      7.895552      3.002795
  C      -7.100059      6.928519      2.181527
  C      -7.978343      6.190382      1.350518
  C      -7.478227      5.223398      0.501522
  C      -6.089458      4.968645      0.440247
  C      -5.216017      5.668194      1.248047
  C      -5.700471      6.645513      2.149607
  C      -6.166690      2.666194      7.372542
  C      -7.035465      3.871177      7.737646
  C      -8.502261      3.490109      7.931194
  C      -9.264495      3.145441      6.672217
  N      -8.664923      3.308730      5.503808
  C      -9.372167      3.023874      4.378059
  N     -10.608022      2.571677      4.296964
  C     -11.252991      2.385662      5.491583
  C     -12.584753      1.900622      5.488600
  C     -13.260855      1.724377      6.678663
  C     -12.638051      2.024239      7.912714
  C     -11.338598      2.490478      7.944110
  C     -10.616914      2.675191      6.738682
  H      -3.849094      2.205627      2.060067
  H      -4.934159      3.501120      2.604941
  H      -6.123195      1.926406      4.104773
  H      -5.103215      0.586704      3.549912
  H      -7.394762      0.751502      2.434825
  H      -6.899062      2.301469      1.726603
  H      -4.700055      1.380619     -2.042892
  H      -4.180496     -3.095220     -1.157883
  H      -4.801558     -4.586882      0.749914
  H      -5.969904     -3.650713      2.740174
  H      -6.508488     -1.242647      2.857857
  H      -4.324761      7.109057      5.852964
  H      -2.793215      7.569400      6.625366
  H      -1.656906      7.507938      4.380882
  H      -2.950786      8.707112      4.523251
  H      -2.893373      7.402230      2.320168
  H      -3.291913      5.947581      3.219950
  H      -7.127390      9.326698      4.399217
  H      -9.045062      6.412793      1.407059
  H      -8.156369      4.646607     -0.129914
  H      -5.717888      4.182893     -0.218835
  H      -4.147676      5.454953      1.206817
  H      -6.208232      1.927226      8.193395
  H      -6.612923      2.185316      6.487078
  H      -6.656075      4.329890      8.664936
  H      -6.946313      4.614458      6.932468
  H      -8.595733      2.649598      8.642280
  H      -9.042359      4.324964      8.412608
  H      -8.836874      3.194571      3.436241
  H     -13.047065      1.679113      4.525667
  H     -14.287325      1.353819      6.671735
  H     -13.190191      1.884440      8.843196
  H     -10.864133      2.723280      8.898286
  N      -5.491036      4.779367      4.924907
96
Coordinates from ORCA-job orca E -6203.181740948984
  N      -3.576925      2.850258      4.049193
  Mo     -4.116476      4.052269      5.543340
  N      -4.763389      2.981012      7.090543
  C      -3.783570      2.470795      8.049111
  C      -2.529094      1.958662      7.338522
  N      -2.035532      2.959915      6.385737
  C      -1.430453      2.403931      5.170656
  C      -2.510962      1.870932      4.231792
  C      -1.277975      4.055524      7.000235
  C      -1.487226      5.350717      6.221732
  N      -2.906739      5.583482      5.957672
  H      -2.044009      1.633806      3.257035
  H      -2.910458      0.911564      4.620149
  H      -0.899433      3.223559      4.664161
  H      -0.688863      1.613964      5.402537
  H      -1.075007      6.187170      6.816230
  H      -0.903871      5.328661      5.279705
  H      -1.669374      4.193525      8.018653
  H      -0.199287      3.815905      7.083796
  H      -4.215012      1.634018      8.625115
  H      -3.504987      3.246904      8.789168
  H      -2.795188      1.057329      6.768332
  H      -1.749322      1.675428      8.073469
  C      -4.453079      2.564424      2.915850
  C      -5.550460      1.544994      3.243640
  C      -6.528432      1.325736      2.072554
  C      -5.902901      0.627583      0.899838
  N      -5.571938      1.369044     -0.154433
  C      -4.958420      0.740106     -1.193774
  N      -4.636620     -0.533914     -1.294288
  C      -4.981802     -1.321929     -0.230879
  C      -4.683308     -2.706192     -0.272764
  C      -5.032268     -3.521174      0.783764
  C      -5.693672     -2.990004      1.916265
  C      -5.992874     -1.644300      1.983775
  C      -5.639898     -0.779527      0.916671
  C      -3.236771      6.997711      5.786613
  C      -2.748370      7.627377      4.470606
  C      -3.412889      7.042696      3.226021
  C      -4.882208      7.357346      3.082720
  N      -5.402860      8.299295      3.856932
  C      -6.740111      8.528264      3.756767
  N      -7.614427      7.896110      3.001820
  C      -7.099910      6.928755      2.180865
  C      -7.978260      6.190527      1.350013
  C      -7.478232      5.223200      0.501353
  C      -6.089493      4.968213      0.440260
  C      -5.215989      5.667858      1.247920
  C      -5.700384      6.645503      2.149166
  C      -6.167001      2.666538      7.372837
  C      -7.035558      3.871569      7.738336
  C      -8.502300      3.490421      7.932115
  C      -9.264661      3.146161      6.673067
  N      -8.665265      3.310306      5.504697
  C      -9.372355      3.025478      4.378847
  N     -10.608026      2.572795      4.297632
  C     -11.252922      2.386232      5.492209
  C     -12.584571      1.900914      5.489028
  C     -13.260607      1.723979      6.679033
  C     -12.637806      2.023356      7.913206
  C     -11.338464      2.489895      7.944783
  C     -10.616886      2.675403      6.739423
  H      -3.848679      2.206145      2.060153
  H      -4.934417      3.500839      2.605471
  H      -6.122560      1.924733      4.104836
  H      -5.102163      0.585845      3.549051
  H      -7.394085      0.750811      2.434609
  H      -6.898574      2.300935      1.726641
  H      -4.699120      1.380882     -2.042956
  H      -4.181176     -3.095437     -1.159542
  H      -4.802536     -4.587540      0.747841
  H      -5.970372     -3.651624      2.738523
  H      -6.508255     -1.243486      2.857015
  H      -4.324901      7.109169      5.852462
  H      -2.793491      7.569702      6.625042
  H      -1.656876      7.508153      4.380669
  H      -2.951107      8.707016      4.522805
  H      -2.893157      7.401101      2.319779
  H      -3.292302      5.947150      3.220395
  H      -7.127019      9.327538      4.397927
  H      -9.044936      6.413162      1.406380
  H      -8.156436      4.646324     -0.129939
  H      -5.717933      4.182266     -0.218609
  H      -4.147683      5.454415      1.206791
  H      -6.208616      1.927312      8.193469
  H      -6.613353      2.185971      6.487270
  H      -6.655911      4.330189      8.665563
  H      -6.946570      4.614909      6.933196
  H      -8.595570      2.649619      8.642869
  H      -9.042419      4.325028      8.413942
  H      -8.837049      3.196625      3.437124
  H     -13.046834      1.679773      4.525988
  H     -14.287005      1.353223      6.671994
  H     -13.189917      1.882947      8.843615
  H     -10.863972      2.722272      8.899047
  N      -5.491156      4.779175      4.924656
96
Coordinates from ORCA-job orca E -6203.181740746323
  N      -3.577090      2.850134      4.049594
  Mo     -4.116717      4.052290      5.543561
  N      -4.763664      2.981114      7.090809
  C      -3.783898      2.471184      8.049563
  C      -2.529360      1.958997      7.339122
  N      -2.035770      2.960129      6.386216
  C      -1.430625      2.403966      5.171245
  C      -2.511114      1.870849      4.232416
  C      -1.278249      4.055823      7.000608
  C      -1.487458      5.350888      6.221898
  N      -2.906958      5.583578      5.957665
  H      -2.044118      1.633535      3.257725
  H      -2.910612      0.911551      4.620938
  H      -0.899547      3.223487      4.664641
  H      -0.689082      1.614009      5.403309
  H      -1.075332      6.187435      6.816331
  H      -0.904030      5.328756      5.279918
  H      -1.669734      4.194001      8.018970
  H      -0.199571      3.816204      7.084293
  H      -4.215323      1.634479      8.625694
  H      -3.505390      3.247434      8.789502
  H      -2.795405      1.057570      6.769061
  H      -1.749618      1.675911      8.074158
  C      -4.452958      2.564152      2.916077
  C      -5.549700      1.543881      3.243326
  C      -6.527751      1.324849      2.072268
  C      -5.902258      0.627098      0.899295
  N      -5.571242      1.368908     -0.154705
  C      -4.957850      0.740326     -1.194332
  N      -4.636270     -0.533706     -1.295388
  C      -4.981464     -1.322080     -0.232246
  C      -4.683158     -2.706362     -0.274720
  C      -5.032062     -3.521708      0.781551
  C      -5.693219     -2.990887      1.914353
  C      -5.992273     -1.645171      1.982420
  C      -5.639367     -0.780042      0.915594
  C      -3.236993      6.997786      5.786384
  C      -2.748500      7.627362      4.470345
  C      -3.412964      7.042415      3.225868
  C      -4.882247      7.357199      3.082382
  N      -5.402944      8.299232      3.856462
  C      -6.740168      8.528284      3.756113
  N      -7.614442      7.895995      3.001231
  C      -7.099884      6.928520      2.180441
  C      -7.978199      6.190157      1.349672
  C      -7.478113      5.222721      0.501174
  C      -6.089361      4.967753      0.440159
  C      -5.215893      5.667536      1.247748
  C      -5.700358      6.645298      2.148830
  C      -6.167298      2.666903      7.373180
  C      -7.035628      3.872026      7.738941
  C      -8.502367      3.490931      7.932972
  C      -9.264885      3.146887      6.673942
  N      -8.665586      3.311273      5.505562
  C      -9.372650      3.026419      4.379707
  N     -10.608302      2.573678      4.298499
  C     -11.253159      2.387046      5.493084
  C     -12.584828      1.901804      5.489868
  C     -13.260816      1.724655      6.679874
  C     -12.637907      2.023693      7.914073
  C     -11.338556      2.490210      7.945679
  C     -10.617056      2.676015      6.740326
  H      -3.848279      2.206718      2.060216
  H      -4.934892      3.500394      2.606093
  H      -6.121880      1.922677      4.104889
  H      -5.100914      0.584758      3.548105
  H      -7.393280      0.749698      2.434265
  H      -6.898111      2.300094      1.726713
  H      -4.698491      1.381447     -2.043233
  H      -4.181188     -3.095311     -1.161719
  H      -4.802476     -4.588092      0.745187
  H      -5.969858     -3.652773      2.736418
  H      -6.507468     -1.244654      2.855907
  H      -4.325146      7.109168      5.852025
  H      -2.793915      7.569900      6.624828
  H      -1.656982      7.508379      4.380513
  H      -2.951562      8.706945      4.522503
  H      -2.893129      7.400345      2.319505
  H      -3.292630      5.946832      3.220673
  H      -7.127081      9.327703      4.397087
  H      -9.044877      6.412808      1.405948
  H      -8.156283      4.645744     -0.130063
  H      -5.717706      4.181763     -0.218604
  H      -4.147588      5.454071      1.206645
  H      -6.209029      1.927508      8.193664
  H      -6.613763      2.186607      6.487532
  H      -6.655789      4.330612      8.666105
  H      -6.946767      4.615368      6.933791
  H      -8.595459      2.649964      8.643548
  H      -9.042421      4.325409      8.415082
  H      -8.837331      3.197619      3.438006
  H     -13.047148      1.680902      4.526801
  H     -14.287244      1.353984      6.672833
  H     -13.189974      1.883045      8.844472
  H     -10.863974      2.722267      8.899975
  N      -5.491326      4.778939      4.924492
96
Coordinates from ORCA-job orca E -6203.181740798976
  N      -3.577543      2.849958      4.050196
  Mo     -4.117151      4.052315      5.543948
  N      -4.764109      2.981298      7.091301
  C      -3.784437      2.471673      8.050287
  C      -2.529861      1.959367      7.339995
  N      -2.036269      2.960293      6.386870
  C      -1.431106      2.403851      5.172027
  C      -2.511644      1.870617      4.233306
  C      -1.278739      4.056097      7.001074
  C      -1.487831      5.350982      6.222060
  N      -2.907319      5.583662      5.957664
  H      -2.044684      1.632936      3.258689
  H      -2.911240      0.911491      4.622140
  H      -0.899964      3.223222      4.665254
  H      -0.689642      1.613889      5.404308
  H      -1.075765      6.187650      6.816366
  H      -0.904364      5.328687      5.280112
  H      -1.670313      4.194548      8.019363
  H      -0.200084      3.816429      7.084911
  H      -4.215886      1.635063      8.626547
  H      -3.505983      3.248059      8.790107
  H      -2.795894      1.057805      6.770147
  H      -1.750120      1.676480      8.075109
  C      -4.453029      2.563900      2.916415
  C      -5.548788      1.542300      3.242734
  C      -6.526849      1.323653      2.071633
  C      -5.901307      0.626503      0.898323
  N      -5.570240      1.368820     -0.155302
  C      -4.956903      0.740743     -1.195276
  N      -4.635492     -0.533273     -1.297032
  C      -4.980678     -1.322150     -0.234267
  C      -4.682483     -2.706434     -0.277494
  C      -5.031312     -3.522291      0.778418
  C      -5.692272     -2.991992      1.911566
  C      -5.991251     -1.646283      1.980353
  C      -5.638439     -0.780654      0.913917
  C      -3.237293      6.997850      5.786050
  C      -2.748625      7.627221      4.469952
  C      -3.413022      7.041924      3.225621
  C      -4.882250      7.356883      3.081864
  N      -5.403018      8.299046      3.855732
  C      -6.740219      8.528141      3.755187
  N      -7.614427      7.895650      3.000399
  C      -7.099791      6.928065      2.179793
  C      -7.978036      6.189541      1.349091
  C      -7.477848      5.222011      0.500770
  C      -6.089078      4.967083      0.439864
  C      -5.215678      5.667018      1.247407
  C      -5.700258      6.644891      2.148305
  C      -6.167793      2.667532      7.373812
  C      -7.035732      3.872833      7.739928
  C      -8.502531      3.491976      7.934242
  C      -9.265203      3.148003      6.675279
  N      -8.666051      3.312599      5.506854
  C      -9.373116      3.027622      4.381039
  N     -10.608740      2.574779      4.299903
  C     -11.253511      2.388107      5.494523
  C     -12.585182      1.902902      5.491344
  C     -13.261068      1.725546      6.681383
  C     -12.638006      2.024296      7.915568
  C     -11.338670      2.490855      7.947135
  C     -10.617302      2.676956      6.741757
  H      -3.847884      2.207835      2.060294
  H      -4.935876      3.499901      2.607126
  H      -6.121142      1.919626      4.104843
  H      -5.099218      0.583235      3.546545
  H      -7.392268      0.748190      2.433400
  H      -6.897446      2.298976      1.726548
  H      -4.697519      1.382330     -2.043815
  H      -4.180632     -3.094948     -1.164754
  H      -4.801816     -4.588676      0.741488
  H      -5.968834     -3.654252      2.733357
  H      -6.506311     -1.246201      2.854114
  H      -4.325471      7.109190      5.851414
  H      -2.794472      7.570127      6.624513
  H      -1.657090      7.508421      4.380257
  H      -2.952006      8.706751      4.521992
  H      -2.893041      7.399294      2.319126
  H      -3.293025      5.946293      3.220933
  H      -7.127158      9.327749      4.395907
  H      -9.044719      6.412189      1.405244
  H      -8.155947      4.644925     -0.130449
  H      -5.717291      4.181068     -0.218787
  H      -4.147371      5.453534      1.206341
  H      -6.209739      1.927914      8.194095
  H      -6.614447      2.187666      6.488042
  H      -6.655682      4.331298      8.667064
  H      -6.946959      4.616218      6.934806
  H      -8.595479      2.650956      8.644768
  H      -9.042428      4.326450      8.416518
  H      -8.837819      3.198801      3.439328
  H     -13.047604      1.682190      4.528281
  H     -14.287519      1.354937      6.674389
  H     -13.189962      1.883389      8.845996
  H     -10.863986      2.722615      8.901447
  N      -5.491701      4.778684      4.924505
96
Coordinates from ORCA-job orca E -6203.181741302256
  N      -3.577589      2.849910      4.050863
  Mo     -4.117245      4.052583      5.544287
  N      -4.764465      2.981867      7.091733
  C      -3.785091      2.472537      8.051151
  C      -2.530411      1.959949      7.341222
  N      -2.036672      2.960515      6.387790
  C      -1.431430      2.403608      5.173187
  C      -2.511984      1.870317      4.234505
  C      -1.279102      4.056446      7.001746
  C      -1.487847      5.351087      6.222259
  N      -2.907275      5.583911      5.957589
  H      -2.045005      1.632046      3.260044
  H      -2.911933      0.911509      4.623746
  H      -0.900083      3.222735      4.666238
  H      -0.690161      1.613575      5.405824
  H      -1.075781      6.187893      6.816370
  H      -0.904270      5.328430      5.280392
  H      -1.670865      4.195312      8.019904
  H      -0.200499      3.816639      7.085886
  H      -4.216738      1.636099      8.627519
  H      -3.506747      3.249080      8.790849
  H      -2.796421      1.058191      6.771673
  H      -1.750756      1.677311      8.076523
  C      -4.452690      2.563845      2.916788
  C      -5.547964      1.541497      3.242334
  C      -6.526053      1.323528      2.071153
  C      -5.900688      0.626499      0.897667
  N      -5.569143      1.369010     -0.155670
  C      -4.956060      0.740978     -1.195831
  N      -4.635360     -0.533178     -1.298038
  C      -4.980997     -1.322236     -0.235560
  C      -4.683538     -2.706666     -0.279265
  C      -5.032796     -3.522694      0.776375
  C      -5.693471     -2.992437      1.909695
  C      -5.991763     -1.646591      1.978943
  C      -5.638498     -0.780794      0.912798
  C      -3.237070      6.998082      5.785510
  C      -2.748301      7.627030      4.469229
  C      -3.412864      7.041468      3.225129
  C      -4.882060      7.356592      3.081349
  N      -5.402786      8.298825      3.855146
  C      -6.739991      8.527916      3.754673
  N      -7.614244      7.895282      3.000058
  C      -7.099642      6.927704      2.179432
  C      -7.977921      6.189156      1.348778
  C      -7.477742      5.221686      0.500391
  C      -6.088966      4.966797      0.439374
  C      -5.215538      5.666735      1.246897
  C      -5.700101      6.644576      2.147833
  C      -6.168266      2.668538      7.374088
  C      -7.035850      3.873975      7.740609
  C      -8.502746      3.493368      7.934965
  C      -9.265320      3.149185      6.676012
  N      -8.666420      3.314652      5.507583
  C      -9.373284      3.029321      4.381746
  N     -10.608558      2.575513      4.300571
  C     -11.253114      2.388053      5.495176
  C     -12.584420      1.901862      5.491938
  C     -13.260094      1.723607      6.681965
  C     -12.637147      2.022382      7.916195
  C     -11.338168      2.489929      7.947825
  C     -10.617033      2.677015      6.742462
  H      -3.847088      2.208618      2.060625
  H      -4.936015      3.499719      2.607868
  H      -6.120351      1.917835      4.104865
  H      -5.098044      0.582356      3.545370
  H      -7.391711      0.748264      2.432665
  H      -6.896321      2.299073      1.726328
  H      -4.696255      1.382772     -2.044082
  H      -4.181883     -3.095123     -1.166656
  H      -4.803874     -4.589190      0.739079
  H      -5.970372     -3.654814      2.731278
  H      -6.506627     -1.246548      2.852840
  H      -4.325246      7.109526      5.850735
  H      -2.794330      7.570573      6.623868
  H      -1.656792      7.508076      4.379519
  H      -2.951649      8.706579      4.521053
  H      -2.892880      7.398422      2.318473
  H      -3.293180      5.945801      3.220775
  H      -7.126887      9.327593      4.395330
  H      -9.044605      6.411786      1.404990
  H      -8.155848      4.644616     -0.130838
  H      -5.717151      4.180848     -0.219336
  H      -4.147233      5.453255      1.205712
  H      -6.210594      1.928568      8.194044
  H      -6.614954      2.189256      6.488036
  H      -6.655732      4.332142      8.667862
  H      -6.947039      4.617534      6.935653
  H      -8.595675      2.652490      8.645649
  H      -9.042570      4.327975      8.417086
  H      -8.838171      3.201137      3.440046
  H     -13.046755      1.681129      4.528837
  H     -14.286280      1.352264      6.674926
  H     -13.188896      1.880695      8.846629
  H     -10.863604      2.721658      8.902202
  N      -5.491655      4.778776      4.924390
96
Coordinates from ORCA-job orca E -6203.181741155928
  N      -3.577810      2.849804      4.051700
  Mo     -4.117544      4.052739      5.544831
  N      -4.764852      2.982349      7.092468
  C      -3.785782      2.473350      8.052341
  C      -2.530963      1.960558      7.342765
  N      -2.037257      2.960723      6.388897
  C      -1.431955      2.403321      5.174530
  C      -2.512545      1.869908      4.235960
  C      -1.279704      4.056889      7.002493
  C      -1.488144      5.351203      6.222409
  N      -2.907536      5.584133      5.957541
  H      -2.045612      1.630908      3.261659
  H      -2.912908      0.911507      4.625750
  H      -0.900454      3.222214      4.667371
  H      -0.690851      1.613244      5.407517
  H      -1.076052      6.188216      6.816208
  H      -0.904522      5.328075      5.280586
  H      -1.671678      4.196245      8.020499
  H      -0.201142      3.816998      7.086975
  H      -4.217604      1.637025      8.628756
  H      -3.507626      3.250021      8.791973
  H      -2.796877      1.058514      6.773626
  H      -1.751309      1.678331      8.078222
  C      -4.452390      2.563833      2.917211
  C      -5.546786      1.540167      3.241522
  C      -6.524843      1.323139      2.070155
  C      -5.899564      0.626459      0.896399
  N      -5.567536      1.369338     -0.156526
  C      -4.954670      0.741505     -1.196954
  N      -4.634630     -0.532761     -1.299789
  C      -4.980705     -1.322167     -0.237722
  C      -4.683922     -2.706731     -0.282083
  C      -5.033631     -3.523090      0.773151
  C      -5.694102     -2.993063      1.906688
  C      -5.991758     -1.647101      1.976572
  C      -5.638011     -0.780968      0.910859
  C      -3.237234      6.998265      5.785018
  C      -2.748318      7.626806      4.468586
  C      -3.412867      7.040926      3.224640
  C      -4.882048      7.356020      3.080686
  N      -5.402900      8.298345      3.854263
  C      -6.740128      8.527254      3.753740
  N      -7.614272      7.894412      2.999179
  C      -7.099517      6.926885      2.178605
  C      -7.977649      6.188287      1.347838
  C      -7.477309      5.220865      0.499501
  C      -6.088513      4.966021      0.438651
  C      -5.215224      5.666012      1.246292
  C      -5.699943      6.643846      2.147140
  C      -6.168780      2.669480      7.374723
  C      -7.035912      3.875081      7.741779
  C      -8.502986      3.494997      7.936222
  C      -9.265535      3.150448      6.677381
  N      -8.666849      3.316314      5.508896
  C      -9.373633      3.030626      4.383120
  N     -10.608696      2.576221      4.302019
  C     -11.253068      2.388407      5.496653
  C     -12.584152      1.901629      5.493492
  C     -13.259636      1.722911      6.683555
  C     -12.636692      2.021791      7.917756
  C     -11.337934      2.489955      7.949319
  C     -10.617005      2.677560      6.743915
  H      -3.846097      2.210038      2.060916
  H      -4.936565      3.499494      2.609016
  H      -6.119287      1.914871      4.104710
  H      -5.096166      0.580950      3.543255
  H      -7.390779      0.747987      2.431176
  H      -6.894740      2.298973      1.725740
  H      -4.694494      1.383629     -2.044842
  H      -4.182406     -3.094990     -1.169640
  H      -4.805235     -4.589681      0.735348
  H      -5.971366     -3.655685      2.727950
  H      -6.506486     -1.247231      2.850624
  H      -4.325412      7.109774      5.850073
  H      -2.794637      7.570967      6.623308
  H      -1.656826      7.507675      4.378936
  H      -2.951606      8.706383      4.520116
  H      -2.892846      7.397633      2.317905
  H      -3.293322      5.945241      3.220537
  H      -7.127157      9.326917      4.394331
  H      -9.044354      6.410849      1.403932
  H      -8.155297      4.643782     -0.131851
  H      -5.716547      4.180095     -0.219992
  H      -4.146913      5.452525      1.205228
  H      -6.211479      1.929101      8.194294
  H      -6.615553      2.190909      6.488360
  H      -6.655676      4.332808      8.669202
  H      -6.946995      4.618897      6.937069
  H      -8.596043      2.654453      8.647272
  H      -9.042527      4.329982      8.417989
  H      -8.838661      3.202607      3.441375
  H     -13.046496      1.680813      4.530413
  H     -14.285663      1.351123      6.676556
  H     -13.188229      1.879686      8.848256
  H     -10.863434      2.721740      8.903712
  N      -5.491927      4.778702      4.924643
96
Coordinates from ORCA-job orca E -6203.181741879795
  N      -3.577616      2.849516      4.052329
  Mo     -4.117572      4.052708      5.545150
  N      -4.764994      2.982707      7.093015
  C      -3.786253      2.474002      8.053352
  C      -2.531246      1.961020      7.344201
  N      -2.037574      2.960786      6.389902
  C      -1.432145      2.402908      5.175798
  C      -2.512689      1.869346      4.237274
  C      -1.280104      4.057238      7.003125
  C      -1.488270      5.351198      6.222392
  N      -2.907620      5.584210      5.957340
  H      -2.045713      1.629676      3.263162
  H      -2.913472      0.911327      4.627546
  H      -0.900482      3.221581      4.668463
  H      -0.691190      1.612806      5.409152
  H      -1.076121      6.188434      6.815831
  H      -0.904587      5.327523      5.280626
  H      -1.672329      4.197088      8.020967
  H      -0.201574      3.817324      7.087991
  H      -4.218268      1.637802      8.629807
  H      -3.508330      3.250822      8.792911
  H      -2.796996      1.058662      6.775476
  H      -1.751613      1.679244      8.079849
  C      -4.451728      2.563606      2.917481
  C      -5.545716      1.539226      3.240906
  C      -6.523713      1.323090      2.069323
  C      -5.898475      0.626617      0.895403
  N      -5.565911      1.369761     -0.157164
  C      -4.953105      0.742049     -1.197706
  N      -4.633580     -0.532308     -1.300960
  C      -4.980193     -1.321974     -0.239266
  C      -4.683985     -2.706653     -0.284076
  C      -5.034259     -3.523250      0.770784
  C      -5.694740     -2.993370      1.904383
  C      -5.991838     -1.647309      1.974708
  C      -5.637504     -0.780929      0.909380
  C      -3.237275      6.998291      5.784431
  C      -2.748437      7.626397      4.467773
  C      -3.413203      7.040361      3.224015
  C      -4.882424      7.355330      3.080263
  N      -5.403233      8.297668      3.853837
  C      -6.740512      8.526387      3.753582
  N      -7.614706      7.893477      2.999140
  C      -7.099979      6.926060      2.178431
  C      -7.978139      6.187534      1.347629
  C      -7.477838      5.220231      0.499137
  C      -6.089044      4.965393      0.438171
  C      -5.215728      5.665305      1.245862
  C      -5.700388      6.643057      2.146823
  C      -6.169051      2.670124      7.375045
  C      -7.035850      3.875824      7.742580
  C      -8.503094      3.496226      7.937012
  C      -9.265644      3.151482      6.678257
  N      -8.667063      3.317570      5.509742
  C      -9.373785      3.031694      4.383997
  N     -10.608738      2.576975      4.302915
  C     -11.253007      2.388915      5.497554
  C     -12.583945      1.901739      5.494430
  C     -13.259326      1.722729      6.684503
  C     -12.636419      2.021721      7.918695
  C     -11.337801      2.490277      7.950232
  C     -10.616975      2.678181      6.744809
  H      -3.844876      2.210576      2.061251
  H      -4.936320      3.499145      2.609614
  H      -6.118251      1.912906      4.104521
  H      -5.094773      0.579863      3.541660
  H      -7.389996      0.748158      2.429852
  H      -6.893099      2.299220      1.725196
  H      -4.692494      1.384399     -2.045289
  H      -4.182452     -3.094792     -1.171673
  H      -4.806306     -4.589924      0.732625
  H      -5.972455     -3.656178      2.725343
  H      -6.506573     -1.247530      2.848798
  H      -4.325435      7.109897      5.849568
  H      -2.794586      7.571204      6.622533
  H      -1.656993      7.506880      4.377981
  H      -2.951367      8.706053      4.519004
  H      -2.893361      7.397117      2.317190
  H      -3.293601      5.944686      3.219887
  H      -7.127547      9.325947      4.394296
  H      -9.044851      6.410041      1.403837
  H      -8.155855      4.643236     -0.132267
  H      -5.717103      4.179532     -0.220563
  H      -4.147417      5.451826      1.204724
  H      -6.212038      1.929377      8.194273
  H      -6.615843      2.192138      6.488398
  H      -6.655532      4.333061      8.670215
  H      -6.946755      4.619938      6.938164
  H      -8.596367      2.655979      8.648377
  H      -9.042309      4.331605      8.418458
  H      -8.838942      3.203862      3.442213
  H     -13.046272      1.680853      4.531358
  H     -14.285237      1.350621      6.677502
  H     -13.187826      1.879401      8.849240
  H     -10.863388      2.722162      8.904645
  N      -5.491967      4.778528      4.924796
96
Coordinates from ORCA-job orca E -6203.181741851588
  N      -3.577453      2.849205      4.052960
  Mo     -4.117657      4.052639      5.545501
  N      -4.765136      2.983096      7.093676
  C      -3.786697      2.474639      8.054430
  C      -2.531510      1.961453      7.345694
  N      -2.037916      2.960806      6.390931
  C      -1.432389      2.402452      5.177078
  C      -2.512879      1.868751      4.238602
  C      -1.280536      4.057574      7.003730
  C      -1.488466      5.351152      6.222295
  N      -2.907775      5.584258      5.957129
  H      -2.045849      1.628442      3.264674
  H      -2.914092      0.911106      4.629324
  H      -0.900540      3.220898      4.669579
  H      -0.691587      1.612308      5.410770
  H      -1.076168      6.188629      6.815282
  H      -0.904754      5.326821      5.280564
  H      -1.673010      4.197944      8.021405
  H      -0.202031      3.817668      7.088980
  H      -4.218900      1.638580      8.630949
  H      -3.508988      3.251624      8.793894
  H      -2.797071      1.058746      6.777426
  H      -1.751878      1.680177      8.081529
  C      -4.451085      2.563457      2.917737
  C      -5.544692      1.538364      3.240214
  C      -6.522583      1.323192      2.068336
  C      -5.897321      0.626881      0.894318
  N      -5.564071      1.370261     -0.157862
  C      -4.951242      0.742620     -1.198436
  N      -4.632271     -0.531840     -1.302047
  C      -4.979594     -1.321742     -0.240758
  C      -4.684021     -2.706550     -0.285959
  C      -5.035051     -3.523360      0.768476
  C      -5.695683     -2.993582      1.902044
  C      -5.992155     -1.647411      1.972752
  C      -5.637034     -0.780802      0.907856
  C      -3.237371      6.998297      5.783881
  C      -2.748585      7.625945      4.467013
  C      -3.413519      7.039836      3.223359
  C      -4.882773      7.354668      3.079783
  N      -5.403495      8.297102      3.853291
  C      -6.740798      8.525747      3.753202
  N      -7.615052      7.892903      2.998779
  C      -7.100401      6.925469      2.178046
  C      -7.978607      6.187088      1.347170
  C      -7.478414      5.219741      0.498663
  C      -6.089653      4.964692      0.437761
  C      -5.216294      5.664467      1.245526
  C      -5.700829      6.642293      2.146469
  C      -6.169318      2.670713      7.375464
  C      -7.035805      3.876513      7.743424
  C      -8.503217      3.497470      7.937834
  C      -9.265747      3.152404      6.679190
  N      -8.667269      3.318687      5.510643
  C      -9.373908      3.032549      4.384936
  N     -10.608689      2.577348      4.303887
  C     -11.252865      2.389103      5.498538
  C     -12.583625      1.901430      5.495479
  C     -13.258930      1.722270      6.685565
  C     -12.636144      2.021636      7.919732
  C     -11.337687      2.490648      7.951215
  C     -10.616926      2.678673      6.745767
  H      -3.843710      2.211191      2.061552
  H      -4.936070      3.498907      2.610267
  H      -6.117284      1.910956      4.104264
  H      -5.093425      0.578806      3.539835
  H      -7.389268      0.748525      2.428304
  H      -6.891347      2.299650      1.724473
  H      -4.690094      1.385146     -2.045725
  H      -4.182370     -3.094612     -1.173523
  H      -4.807584     -4.590127      0.730002
  H      -5.974006     -3.656565      2.722656
  H      -6.506990     -1.247682      2.846805
  H      -4.325503      7.110060      5.849173
  H      -2.794477      7.571386      6.621764
  H      -1.657192      7.505907      4.377116
  H      -2.950945      8.705724      4.517876
  H      -2.893833      7.396798      2.316519
  H      -3.293717      5.944189      3.219095
  H      -7.127823      9.325207      4.394049
  H      -9.045299      6.409691      1.403375
  H      -8.156498      4.642875     -0.132790
  H      -5.717811      4.178761     -0.220952
  H      -4.148005      5.450855      1.204485
  H      -6.212505      1.929655      8.194399
  H      -6.616125      2.193197      6.488592
  H      -6.655352      4.333244      8.671258
  H      -6.946461      4.620913      6.939299
  H      -8.596859      2.657669      8.649664
  H      -9.042051      4.333406      8.418754
  H      -8.839151      3.204770      3.443109
  H     -13.045873      1.680294      4.532426
  H     -14.284689      1.349742      6.678572
  H     -13.187457      1.879255      8.850323
  H     -10.863415      2.722877      8.905618
  N      -5.492107      4.778399      4.925122
96
Coordinates from ORCA-job orca E -6203.181741691573
  N      -3.577123      2.848999      4.053258
  Mo     -4.117586      4.052570      5.545618
  N      -4.765105      2.983345      7.094012
  C      -3.786829      2.475024      8.054995
  C      -2.531520      1.961711      7.346539
  N      -2.037953      2.960835      6.391531
  C      -1.432325      2.402220      5.177845
  C      -2.512726      1.868426      4.239343
  C      -1.280678      4.057818      7.004083
  C      -1.488514      5.351152      6.222202
  N      -2.907795      5.584288      5.956974
  H      -2.045584      1.627817      3.265540
  H      -2.914160      0.910957      4.630254
  H      -0.900336      3.220526      4.670268
  H      -0.691614      1.612055      5.411751
  H      -1.076093      6.188786      6.814882
  H      -0.904769      5.326382      5.280499
  H      -1.673324      4.198493      8.021651
  H      -0.202177      3.817974      7.089580
  H      -4.219142      1.639084      8.631603
  H      -3.509240      3.252153      8.794352
  H      -2.796932      1.058792      6.778532
  H      -1.751914      1.680740      8.082514
  C      -4.450483      2.563318      2.917839
  C      -5.544061      1.538052      3.239914
  C      -6.521925      1.323459      2.067866
  C      -5.896671      0.627132      0.893849
  N      -5.562852      1.370591     -0.158089
  C      -4.949962      0.742930     -1.198602
  N      -4.631410     -0.531622     -1.302357
  C      -4.979347     -1.321616     -0.241327
  C      -4.684274     -2.706522     -0.286702
  C      -5.035926     -3.523410      0.767460
  C      -5.696698     -2.993605      1.900945
  C      -5.992677     -1.647344      1.971821
  C      -5.636928     -0.780652      0.907192
  C      -3.237381      6.998297      5.783536
  C      -2.748715      7.625637      4.466506
  C      -3.413827      7.039545      3.222912
  C      -4.883120      7.354259      3.079563
  N      -5.403717      8.296747      3.853098
  C      -6.741036      8.525388      3.753175
  N      -7.615386      7.892644      2.998778
  C      -7.100859      6.925165      2.178019
  C      -7.979162      6.186883      1.347168
  C      -7.479115      5.219480      0.498629
  C      -6.090383      4.964280      0.437671
  C      -5.216935      5.663959      1.245422
  C      -5.701314      6.641844      2.146389
  C      -6.169350      2.670945      7.375594
  C      -7.035747      3.876748      7.743785
  C      -8.503218      3.497919      7.938159
  C      -9.265763      3.152845      6.679541
  N      -8.667310      3.319342      5.511004
  C      -9.373848      3.033106      4.385274
  N     -10.608526      2.577619      4.304175
  C     -11.252686      2.389201      5.498803
  C     -12.583337      1.901213      5.495707
  C     -13.258645      1.721920      6.685766
  C     -12.635992      2.021477      7.919960
  C     -11.337628      2.490747      7.951485
  C     -10.616852      2.678882      6.746057
  H      -3.842906      2.211217      2.061728
  H      -4.935522      3.498761      2.610458
  H      -6.116636      1.910218      4.104155
  H      -5.092766      0.578316      3.538917
  H      -7.388883      0.749040      2.427554
  H      -6.890233      2.300129      1.724117
  H      -4.688330      1.385512     -2.045702
  H      -4.182505     -3.094612     -1.174189
  H      -4.808840     -4.590251      0.728841
  H      -5.975512     -3.656661      2.721331
  H      -6.507596     -1.247577      2.845809
  H      -4.325489      7.110157      5.849034
  H      -2.794244      7.571506      6.621211
  H      -1.657362      7.505198      4.376489
  H      -2.950576      8.705518      4.517118
  H      -2.894299      7.396742      2.316070
  H      -3.293788      5.943930      3.218486
  H      -7.127991      9.324816      4.394108
  H      -9.045835      6.409564      1.403435
  H      -8.157309      4.642703     -0.132789
  H      -5.718669      4.178293     -0.221058
  H      -4.148659      5.450289      1.204385
  H      -6.212562      1.929733      8.194387
  H      -6.616129      2.193587      6.488633
  H      -6.655195      4.333176      8.671730
  H      -6.946250      4.621324      6.939843
  H      -8.597070      2.658289      8.650149
  H      -9.041844      4.334116      8.418876
  H      -8.839163      3.205569      3.443447
  H     -13.045479      1.679964      4.532629
  H     -14.284306      1.349121      6.678719
  H     -13.187309      1.879060      8.850543
  H     -10.863467      2.723168      8.905898
  N      -5.492075      4.778353      4.925273
96
Coordinates from ORCA-job orca E -6203.181742172665
  N      -3.576889      2.848681      4.053491
  Mo     -4.117708      4.052364      5.545684
  N      -4.765191      2.983511      7.094380
  C      -3.786999      2.475289      8.055497
  C      -2.531592      1.961883      7.347272
  N      -2.038065      2.960833      6.392073
  C      -1.432310      2.402025      5.178540
  C      -2.512570      1.868099      4.239984
  C      -1.280961      4.058057      7.004403
  C      -1.488823      5.351136      6.222084
  N      -2.908088      5.584231      5.956840
  H      -2.045259      1.627321      3.266296
  H      -2.914108      0.910720      4.630993
  H      -0.900175      3.220200      4.670914
  H      -0.691665      1.611852      5.412645
  H      -1.076251      6.188944      6.814408
  H      -0.905071      5.325914      5.280395
  H      -1.673789      4.199002      8.021868
  H      -0.202445      3.818360      7.090138
  H      -4.219372      1.639481      8.632241
  H      -3.509487      3.252586      8.794706
  H      -2.796830      1.058765      6.779491
  H      -1.752014      1.681202      8.083385
  C      -4.449973      2.562997      2.917910
  C      -5.543276      1.537289      3.239553
  C      -6.521191      1.323173      2.067399
  C      -5.895917      0.627082      0.893258
  N      -5.561743      1.370800     -0.158378
  C      -4.948791      0.743363     -1.198973
  N      -4.630452     -0.531214     -1.303059
  C      -4.978763     -1.321485     -0.242350
  C      -4.683927     -2.706419     -0.288101
  C      -5.035924     -3.523585      0.765726
  C      -5.696822     -2.994018      1.899266
  C      -5.992572     -1.647739      1.970496
  C      -5.636475     -0.780764      0.906207
  C      -3.237719      6.998225      5.783350
  C      -2.748998      7.625404      4.466304
  C      -3.414071      7.039419      3.222598
  C      -4.883369      7.354057      3.079267
  N      -5.403847      8.296758      3.852641
  C      -6.741125      8.525585      3.752593
  N      -7.615532      7.892986      2.998134
  C      -7.101125      6.925219      2.177621
  C      -7.979491      6.186999      1.346795
  C      -7.479594      5.219275      0.498528
  C      -6.090911      4.963705      0.437814
  C      -5.217410      5.663341      1.245536
  C      -5.701646      6.641551      2.146246
  C      -6.169482      2.671078      7.375855
  C      -7.035794      3.876943      7.744091
  C      -8.503278      3.498344      7.938635
  C      -9.265972      3.153135      6.680144
  N      -8.667551      3.319426      5.511558
  C      -9.374088      3.032969      4.385902
  N     -10.608736      2.577361      4.304913
  C     -11.252896      2.389282      5.499598
  C     -12.583566      1.901329      5.496633
  C     -13.258905      1.722453      6.686734
  C     -12.636286      2.022412      7.920855
  C     -11.337888      2.491604      7.952254
  C     -10.617073      2.679293      6.746776
  H      -3.842255      2.211275      2.061746
  H      -4.935276      3.498374      2.610776
  H      -6.115855      1.908757      4.104081
  H      -5.091737      0.577408      3.537712
  H      -7.388219      0.748742      2.426889
  H      -6.889333      2.300003      1.723930
  H      -4.686859      1.386153     -2.045828
  H      -4.182056     -3.094336     -1.175602
  H      -4.809012     -4.590452      0.726810
  H      -5.975903     -3.657310      2.719368
  H      -6.507548     -1.248142      2.844530
  H      -4.325819      7.110103      5.848941
  H      -2.794438      7.571471      6.620926
  H      -1.657661      7.504613      4.376350
  H      -2.950355      8.705388      4.516698
  H      -2.894559      7.396957      2.315876
  H      -3.293698      5.943849      3.217968
  H      -7.128011      9.325110      4.393445
  H      -9.046120      6.409931      1.402887
  H      -8.157889      4.642542     -0.132823
  H      -5.719330      4.177462     -0.220700
  H      -4.149167      5.449464      1.204756
  H      -6.212616      1.929878      8.194667
  H      -6.616279      2.193639      6.488950
  H      -6.654998      4.333271      8.671989
  H      -6.946191      4.621515      6.940158
  H      -8.597338      2.658957      8.650878
  H      -9.041659      4.334868      8.419090
  H      -8.839402      3.205170      3.444028
  H     -13.045672      1.679804      4.533601
  H     -14.284566      1.349651      6.679765
  H     -13.187647      1.880399      8.851472
  H     -10.863731      2.724389      8.906586
  N      -5.492262      4.778224      4.925464
96
Coordinates from ORCA-job orca E -6203.181742227226
  N      -3.576641      2.848509      4.053559
  Mo     -4.117664      4.052305      5.545628
  N      -4.765183      2.983756      7.094526
  C      -3.787013      2.475540      8.055667
  C      -2.531615      1.961975      7.347556
  N      -2.037993      2.960824      6.392308
  C      -1.432176      2.401888      5.178873
  C      -2.512354      1.867935      4.240246
  C      -1.280962      4.058150      7.004531
  C      -1.488836      5.351093      6.221971
  N      -2.908082      5.584212      5.956733
  H      -2.044904      1.627140      3.266625
  H      -2.913927      0.910561      4.631223
  H      -0.899889      3.219948      4.671218
  H      -0.691612      1.611672      5.413105
  H      -1.076116      6.188986      6.814076
  H      -0.905075      5.325584      5.280287
  H      -1.673875      4.199244      8.021943
  H      -0.202441      3.818533      7.090376
  H      -4.219452      1.639893      8.632588
  H      -3.509424      3.252975      8.794705
  H      -2.796829      1.058800      6.779854
  H      -1.752103      1.681348      8.083762
  C      -4.449614      2.562788      2.917923
  C      -5.542948      1.537078      3.239489
  C      -6.520900      1.323142      2.067288
  C      -5.895599      0.627019      0.893194
  N      -5.561055      1.370763     -0.158296
  C      -4.947985      0.743342     -1.198808
  N      -4.629902     -0.531300     -1.302966
  C      -4.978618     -1.321615     -0.242405
  C      -4.684075     -2.706604     -0.288250
  C      -5.036430     -3.523811      0.765429
  C      -5.697397     -2.994209      1.898919
  C      -5.992874     -1.647882      1.970227
  C      -5.636443     -0.780872      0.906081
  C      -3.237660      6.998209      5.783120
  C      -2.748986      7.625141      4.465964
  C      -3.414287      7.039253      3.222303
  C      -4.883572      7.354029      3.079202
  N      -5.403729      8.296934      3.852574
  C      -6.740972      8.526050      3.752668
  N      -7.615634      7.893566      2.998403
  C      -7.101568      6.925522      2.177993
  C      -7.980230      6.187331      1.347459
  C      -7.480679      5.219343      0.499280
  C      -6.092050      4.963496      0.438353
  C      -5.218279      5.663092      1.245806
  C      -5.702164      6.641551      2.146453
  C      -6.169485      2.671280      7.375936
  C      -7.035794      3.877158      7.744169
  C      -8.503250      3.498532      7.938696
  C      -9.265927      3.153501      6.680131
  N      -8.667471      3.320147      5.511606
  C      -9.373822      3.033655      4.385852
  N     -10.608348      2.577719      4.304706
  C     -11.252567      2.389398      5.499321
  C     -12.583131      1.901147      5.496176
  C     -13.258556      1.722036      6.686192
  C     -12.636133      2.022030      7.920409
  C     -11.337830      2.491472      7.951982
  C     -10.616927      2.679411      6.746594
  H      -3.841937      2.211009      2.061757
  H      -4.934894      3.498176      2.610773
  H      -6.115516      1.908398      4.104082
  H      -5.091440      0.577085      3.537347
  H      -7.387978      0.748794      2.426768
  H      -6.888914      2.300035      1.723873
  H      -4.685763      1.386152     -2.045556
  H      -4.182123     -3.094554     -1.175699
  H      -4.809733     -4.590720      0.726446
  H      -5.976736     -3.657544      2.718900
  H      -6.507887     -1.248266      2.844230
  H      -4.325744      7.110143      5.848864
  H      -2.794168      7.571530      6.620529
  H      -1.657687      7.503996      4.375929
  H      -2.949882      8.705216      4.516196
  H      -2.894865      7.396896      2.315571
  H      -3.293826      5.943701      3.217605
  H      -7.127581      9.325776      4.393440
  H      -9.046807      6.410477      1.403688
  H      -8.159232      4.642639     -0.131818
  H      -5.720744      4.177086     -0.220135
  H      -4.150071      5.449083      1.204897
  H      -6.212550      1.930122      8.194790
  H      -6.616286      2.193701      6.489107
  H      -6.654885      4.333427      8.672050
  H      -6.946114      4.621731      6.940252
  H      -8.597377      2.659092      8.650851
  H      -9.041614      4.335056      8.419187
  H      -8.839121      3.206196      3.444047
  H     -13.045061      1.679625      4.533059
  H     -14.284133      1.349006      6.679084
  H     -13.187587      1.879860      8.850946
  H     -10.863784      2.724283      8.906364
  N      -5.492211      4.778303      4.925490
96
Coordinates from ORCA-job orca E -6203.181742239763
  N      -3.576323      2.848132      4.053674
  Mo     -4.117631      4.052193      5.545486
  N      -4.765266      2.984222      7.094739
  C      -3.787102      2.476059      8.055911
  C      -2.531781      1.962149      7.347952
  N      -2.037904      2.960791      6.392627
  C      -1.432006      2.401579      5.179374
  C      -2.512077      1.867584      4.240650
  C      -1.280948      4.058254      7.004666
  C      -1.488846      5.350984      6.221734
  N      -2.908071      5.584139      5.956528
  H      -2.044419      1.626749      3.267132
  H      -2.913684      0.910214      4.631589
  H      -0.899432      3.219402      4.671641
  H      -0.691613      1.611267      5.413857
  H      -1.075897      6.189015      6.813488
  H      -0.905107      5.325042      5.280038
  H      -1.673946      4.199598      8.022008
  H      -0.202417      3.818740      7.090635
  H      -4.219645      1.640727      8.633196
  H      -3.509307      3.253749      8.794613
  H      -2.797056      1.058928      6.780351
  H      -1.752407      1.681508      8.084308
  C      -4.449124      2.562273      2.917964
  C      -5.542346      1.536393      3.239390
  C      -6.520367      1.322582      2.067158
  C      -5.894979      0.626567      0.893072
  N      -5.559984      1.370449     -0.158164
  C      -4.946790      0.743175     -1.198657
  N      -4.629015     -0.531535     -1.303051
  C      -4.978206     -1.322013     -0.242749
  C      -4.684023     -2.707066     -0.288888
  C      -5.036775     -3.524447      0.764532
  C      -5.697780     -2.994932      1.898047
  C      -5.992936     -1.648552      1.969616
  C      -5.636142     -0.781379      0.905734
  C      -3.237576      6.998155      5.782760
  C      -2.748958      7.624791      4.465465
  C      -3.414651      7.039077      3.221893
  C      -4.883911      7.354134      3.079191
  N      -5.403503      8.297424      3.852521
  C      -6.740686      8.527022      3.752901
  N      -7.615815      7.894616      2.999106
  C      -7.102351      6.926098      2.178873
  C      -7.981549      6.187879      1.348938
  C      -7.482600      5.219443      0.500907
  C      -6.094056      4.963183      0.439519
  C      -5.219787      5.662784      1.246416
  C      -5.703061      6.641680      2.146943
  C      -6.169578      2.671815      7.376145
  C      -7.035838      3.877795      7.744229
  C      -8.503244      3.499135      7.938809
  C      -9.265875      3.154337      6.680119
  N      -8.667373      3.321564      5.511697
  C      -9.373449      3.035068      4.385781
  N     -10.607770      2.578595      4.304383
  C     -11.252077      2.389871      5.498883
  C     -12.582492      1.901219      5.495431
  C     -13.258050      1.721687      6.685310
  C     -12.635901      2.021612      7.919689
  C     -11.337745      2.491428      7.951555
  C     -10.616714      2.679837      6.746318
  H      -3.841483      2.210566      2.061745
  H      -4.934514      3.497618      2.610835
  H      -6.114952      1.907381      4.104096
  H      -5.090777      0.576296      3.536838
  H      -7.387372      0.748172      2.426696
  H      -6.888441      2.299504      1.723903
  H      -4.684138      1.386132     -2.045158
  H      -4.182000     -3.094950     -1.176329
  H      -4.810352     -4.591405      0.725335
  H      -5.977382     -3.658415      2.717819
  H      -6.507956     -1.249030      2.843658
  H      -4.325646      7.110112      5.848679
  H      -2.793855      7.571561      6.619982
  H      -1.657715      7.503190      4.375299
  H      -2.949278      8.704976      4.515560
  H      -2.895388      7.396832      2.315114
  H      -3.294140      5.943542      3.217110
  H      -7.126801      9.327120      4.393512
  H      -9.048041      6.411358      1.405465
  H      -8.161603      4.642740     -0.129707
  H      -5.723199      4.176512     -0.218931
  H      -4.151638      5.448554      1.205201
  H      -6.212601      1.930819      8.195152
  H      -6.616414      2.193948      6.489486
  H      -6.654728      4.334145      8.671984
  H      -6.946089      4.622220      6.940192
  H      -8.597412      2.659562      8.650784
  H      -9.041648      4.335578      8.419415
  H      -8.838650      3.207996      3.444103
  H     -13.044166      1.679784      4.532171
  H     -14.283516      1.348356      6.677980
  H     -13.187502      1.879106      8.850087
  H     -10.863837      2.724168      8.906025
  N      -5.492105      4.778383      4.925361
96
Coordinates from ORCA-job orca E -6203.181742461566
  N      -3.576264      2.848080      4.053798
  Mo     -4.117778      4.052318      5.545424
  N      -4.765529      2.984820      7.094941
  C      -3.787343      2.476614      8.056068
  C      -2.532156      1.962389      7.348144
  N      -2.037989      2.960914      6.392855
  C      -1.432023      2.401529      5.179737
  C      -2.512014      1.867567      4.240877
  C      -1.281087      4.058427      7.004844
  C      -1.488998      5.351051      6.221727
  N      -2.908210      5.584249      5.956536
  H      -2.044192      1.626808      3.267414
  H      -2.913606      0.910141      4.631689
  H      -0.899192      3.219174      4.671988
  H      -0.691793      1.611113      5.414405
  H      -1.075894      6.189159      6.813268
  H      -0.905281      5.324859      5.280018
  H      -1.674141      4.199887      8.022146
  H      -0.202548      3.818986      7.090883
  H      -4.219984      1.641537      8.633637
  H      -3.509287      3.254455      8.794521
  H      -2.797588      1.059234      6.780513
  H      -1.752916      1.681564      8.084579
  C      -4.448961      2.562154      2.918035
  C      -5.541990      1.536026      3.239279
  C      -6.520151      1.322361      2.067092
  C      -5.894837      0.626323      0.893005
  N      -5.559310      1.370264     -0.158018
  C      -4.946129      0.742987     -1.198498
  N      -4.628933     -0.531858     -1.303121
  C      -4.978666     -1.322396     -0.243035
  C      -4.685062     -2.707559     -0.289427
  C      -5.038245     -3.525006      0.763801
  C      -5.699108     -2.995428      1.897368
  C      -5.993736     -1.648944      1.969165
  C      -5.636531     -0.781719      0.905475
  C      -3.237645      6.998293      5.782690
  C      -2.748742      7.624812      4.465458
  C      -3.414407      7.039230      3.221785
  C      -4.883610      7.354491      3.078967
  N      -5.403005      8.298136      3.852031
  C      -6.740118      8.528068      3.752236
  N      -7.615387      7.895571      2.998671
  C      -7.102133      6.926617      2.178817
  C      -7.981491      6.188211      1.349211
  C      -7.482712      5.219393      0.501515
  C      -6.094203      4.962931      0.440116
  C      -5.219799      5.662689      1.246718
  C      -5.702908      6.641957      2.146949
  C      -6.169841      2.672550      7.376426
  C      -7.036043      3.878627      7.744367
  C      -8.503369      3.499814      7.939044
  C      -9.265926      3.155031      6.680272
  N      -8.667581      3.323108      5.511894
  C      -9.373393      3.036329      4.385891
  N     -10.607373      2.578920      4.304375
  C     -11.251567      2.389517      5.498832
  C     -12.581661      1.899986      5.495229
  C     -13.257134      1.719749      6.685052
  C     -12.635204      2.019773      7.919520
  C     -11.337356      2.490418      7.951531
  C     -10.616422      2.679604      6.746359
  H      -3.841352      2.210674      2.061700
  H      -4.934517      3.497458      2.611032
  H      -6.114606      1.906583      4.104166
  H      -5.090307      0.575851      3.536320
  H      -7.387117      0.748006      2.426791
  H      -6.888234      2.299319      1.723957
  H      -4.683012      1.386004     -2.044806
  H      -4.183103     -3.095487     -1.176887
  H      -4.812269     -4.592050      0.724421
  H      -5.979011     -3.658967      2.716992
  H      -6.508641     -1.249404      2.843268
  H      -4.325729      7.110191      5.848460
  H      -2.794020      7.571710      6.619946
  H      -1.657514      7.502950      4.375471
  H      -2.948757      8.705055      4.515489
  H      -2.895027      7.397057      2.315098
  H      -3.293881      5.943703      3.216987
  H      -7.126027      9.328575      4.392461
  H      -9.047945      6.411876      1.405672
  H      -8.161855      4.642565     -0.128833
  H      -5.723458      4.176028     -0.218129
  H      -4.151667      5.448374      1.205522
  H      -6.212871      1.931704      8.195574
  H      -6.616745      2.194453      6.489915
  H      -6.654778      4.335132      8.671981
  H      -6.946333      4.622885      6.940175
  H      -8.597413      2.660125      8.650885
  H      -9.041949      4.336098      8.419741
  H      -8.838698      3.209971      3.444285
  H     -13.043134      1.678492      4.531888
  H     -14.282363      1.345771      6.677629
  H     -13.186779      1.876672      8.849841
  H     -10.863548      2.723207      8.906038
  N      -5.492138      4.778737      4.925307
96
Coordinates from ORCA-job orca E -6203.181742875440
  N      -3.576109      2.847884      4.053845
  Mo     -4.117868      4.052340      5.545233
  N      -4.765790      2.985376      7.095020
  C      -3.787606      2.477128      8.056127
  C      -2.532559      1.962588      7.348233
  N      -2.038042      2.960977      6.392990
  C      -1.431955      2.401387      5.180048
  C      -2.511839      1.867427      4.241033
  C      -1.281213      4.058540      7.004950
  C      -1.489126      5.351064      6.221668
  N      -2.908335      5.584263      5.956464
  H      -2.043848      1.626734      3.267631
  H      -2.913404      0.909946      4.631731
  H      -0.898873      3.218856      4.672281
  H      -0.691894      1.610878      5.414953
  H      -1.075946      6.189259      6.813034
  H      -0.905435      5.324681      5.279947
  H      -1.674327      4.200105      8.022212
  H      -0.202665      3.819167      7.091068
  H      -4.220359      1.642268      8.633920
  H      -3.509311      3.255070      8.794392
  H      -2.798203      1.059540      6.780532
  H      -1.753471      1.681501      8.084741
  C      -4.448720      2.561759      2.918058
  C      -5.541548      1.535419      3.239235
  C      -6.519913      1.321804      2.067186
  C      -5.894711      0.625871      0.893000
  N      -5.558954      1.369952     -0.157853
  C      -4.945903      0.742775     -1.198458
  N      -4.629086     -0.532148     -1.303388
  C      -4.979011     -1.322814     -0.243464
  C      -4.685766     -2.708041     -0.290183
  C      -5.039044     -3.525620      0.762917
  C      -5.699650     -2.996108      1.896658
  C      -5.993979     -1.649571      1.968754
  C      -5.636698     -0.782225      0.905198
  C      -3.237782      6.998332      5.782626
  C      -2.748587      7.624883      4.465519
  C      -3.414241      7.039472      3.221750
  C      -4.883401      7.354916      3.078911
  N      -5.402578      8.298879      3.851754
  C      -6.739644      8.529055      3.751954
  N      -7.615095      7.896389      2.998732
  C      -7.102074      6.927087      2.179149
  C      -7.981634      6.188484      1.349921
  C      -7.483053      5.219368      0.502455
  C      -6.094570      4.962777      0.440890
  C      -5.219983      5.662700      1.247149
  C      -5.702890      6.642271      2.147175
  C      -6.170116      2.673374      7.376640
  C      -7.036220      3.879614      7.744317
  C      -8.503499      3.500718      7.939114
  C      -9.265956      3.155776      6.680294
  N      -8.667698      3.324353      5.511953
  C      -9.373288      3.037288      4.385892
  N     -10.607015      2.579202      4.304289
  C     -11.251157      2.389394      5.498709
  C     -12.581022      1.899251      5.494979
  C     -13.256454      1.718523      6.684752
  C     -12.634684      2.018603      7.919289
  C     -11.337066      2.489865      7.951422
  C     -10.616192      2.679628      6.746305
  H      -3.841080      2.210439      2.061677
  H      -4.934450      3.496973      2.611044
  H      -6.114127      1.905648      4.104293
  H      -5.089758      0.575215      3.536034
  H      -7.386733      0.747379      2.427116
  H      -6.888184      2.298752      1.724229
  H      -4.682533      1.385938     -2.044575
  H      -4.183964     -3.095909     -1.177756
  H      -4.813339     -4.592712      0.723303
  H      -5.979589     -3.659750      2.716188
  H      -6.508688     -1.250108      2.843007
  H      -4.325897      7.110067      5.848161
  H      -2.794411      7.571715      6.620033
  H      -1.657373      7.502843      4.375683
  H      -2.948451      8.705148      4.515624
  H      -2.894811      7.397423      2.315138
  H      -3.293751      5.943950      3.216863
  H      -7.125335      9.329912      4.391872
  H      -9.048058      6.412268      1.406442
  H      -8.162360      4.642412     -0.127603
  H      -5.723940      4.175703     -0.217223
  H      -4.151868      5.448318      1.205841
  H      -6.213253      1.932745      8.195986
  H      -6.617091      2.195050      6.490281
  H      -6.654846      4.336384      8.671750
  H      -6.946573      4.623618      6.939886
  H      -8.597399      2.660977      8.650911
  H      -9.042278      4.336859      8.419832
  H      -8.838588      3.211242      3.444350
  H     -13.042333      1.677712      4.531570
  H     -14.281520      1.344099      6.677264
  H     -13.186254      1.875039      8.849543
  H     -10.863326      2.722660      8.905962
  N      -5.492075      4.778977      4.925066
96
Coordinates from ORCA-job orca E -6203.181743210725
  N      -3.576012      2.847704      4.053926
  Mo     -4.118093      4.052410      5.545012
  N      -4.766252      2.986188      7.095151
  C      -3.788048      2.477810      8.056174
  C      -2.533243      1.962855      7.348219
  N      -2.038214      2.961096      6.393096
  C      -1.431935      2.401280      5.180388
  C      -2.511667      1.867344      4.241123
  C      -1.281496      4.058691      7.005097
  C      -1.489422      5.351152      6.221722
  N      -2.908643      5.584314      5.956490
  H      -2.043482      1.626839      3.267767
  H      -2.913152      0.909739      4.631599
  H      -0.898559      3.218572      4.672647
  H      -0.692085      1.610658      5.415592
  H      -1.076240      6.189437      6.812954
  H      -0.905776      5.324657      5.279978
  H      -1.674656      4.200293      8.022331
  H      -0.202933      3.819409      7.091275
  H      -4.220948      1.643172      8.634176
  H      -3.509411      3.255786      8.794281
  H      -2.799298      1.060050      6.780326
  H      -1.754349      1.681248      8.084749
  C      -4.448515      2.561387      2.918070
  C      -5.541050      1.534723      3.239064
  C      -6.519677      1.321246      2.067200
  C      -5.894665      0.625365      0.892904
  N      -5.558449      1.369595     -0.157711
  C      -4.945614      0.742429     -1.198453
  N      -4.629534     -0.532648     -1.303789
  C      -4.979838     -1.323422     -0.244087
  C      -4.687240     -2.708774     -0.291195
  C      -5.040756     -3.526448      0.761752
  C      -5.700971     -2.996920      1.895701
  C      -5.994739     -1.650269      1.968156
  C      -5.637221     -0.782840      0.904758
  C      -3.238179      6.998403      5.782744
  C      -2.748447      7.625165      4.465929
  C      -3.413824      7.039957      3.221919
  C      -4.882939      7.355503      3.078786
  N      -5.402106      8.299810      3.851227
  C      -6.739135      8.530072      3.751241
  N      -7.614602      7.897019      2.998351
  C      -7.101592      6.927399      2.179152
  C      -7.981155      6.188431      1.350238
  C      -7.482529      5.219077      0.503082
  C      -6.094035      4.962566      0.441497
  C      -5.219453      5.662801      1.247492
  C      -5.702404      6.642617      2.147235
  C      -6.170599      2.674702      7.377081
  C      -7.036459      3.881223      7.744439
  C      -8.503708      3.502279      7.939374
  C      -9.265993      3.157016      6.680502
  N      -8.667998      3.326566      5.512184
  C      -9.373297      3.039038      4.386064
  N     -10.606599      2.579805      4.304392
  C     -11.250522      2.389112      5.498790
  C     -12.579957      1.897813      5.494944
  C     -13.255173      1.716070      6.684687
  C     -12.633576      2.016208      7.919299
  C     -11.336388      2.488625      7.951544
  C     -10.615759      2.679519      6.746458
  H      -3.840730      2.210377      2.061656
  H      -4.934494      3.496478      2.611061
  H      -6.113571      1.904453      4.104390
  H      -5.089110      0.574489      3.535560
  H      -7.386384      0.746839      2.427413
  H      -6.888084      2.298207      1.724428
  H      -4.681838      1.385721     -2.044342
  H      -4.185686     -3.096637     -1.178907
  H      -4.815542     -4.593634      0.721859
  H      -5.981058     -3.660628      2.715128
  H      -6.509167     -1.250826      2.842584
  H      -4.326355      7.109833      5.847780
  H      -2.795380      7.571693      6.620509
  H      -1.657225      7.503038      4.376442
  H      -2.948333      8.705415      4.516217
  H      -2.894210      7.398121      2.315490
  H      -3.293373      5.944440      3.216882
  H      -7.124775      9.331308      4.390711
  H      -9.047588      6.412173      1.406690
  H      -8.161837      4.641870     -0.126750
  H      -5.723311      4.175369     -0.216416
  H      -4.151325      5.448485      1.206168
  H      -6.213948      1.934364      8.196685
  H      -6.617762      2.196171      6.490915
  H      -6.654979      4.338313      8.671664
  H      -6.946907      4.624909      6.939706
  H      -8.597398      2.662514      8.651172
  H      -9.042775      4.338241      8.420067
  H      -8.838729      3.213716      3.444582
  H     -13.041088      1.676225      4.531459
  H     -14.279926      1.340794      6.677163
  H     -13.185002      1.871720      8.849496
  H     -10.862730      2.721418      8.906121
  N      -5.492072      4.779326      4.924770
96
Coordinates from ORCA-job orca E -6203.181742931350
  N      -3.575837      2.847414      4.053929
  Mo     -4.118224      4.052259      5.544796
  N      -4.766531      2.986534      7.095168
  C      -3.788331      2.478084      8.056161
  C      -2.533641      1.962951      7.348163
  N      -2.038311      2.961109      6.393113
  C      -1.431816      2.401175      5.180586
  C      -2.511385      1.867177      4.241132
  C      -1.281737      4.058760      7.005172
  C      -1.489710      5.351193      6.221772
  N      -2.908957      5.584220      5.956475
  H      -2.043064      1.626830      3.267803
  H      -2.912775      0.909474      4.631463
  H      -0.898328      3.218419      4.672886
  H      -0.692045      1.610545      5.416007
  H      -1.076661      6.189551      6.812987
  H      -0.906072      5.324724      5.280027
  H      -1.674936      4.200335      8.022391
  H      -0.203153      3.819573      7.091400
  H      -4.221295      1.643481      8.634167
  H      -3.509590      3.256012      8.794284
  H      -2.799970      1.060318      6.780123
  H      -1.754850      1.680990      8.084676
  C      -4.448236      2.560916      2.918001
  C      -5.540596      1.534070      3.238893
  C      -6.519391      1.320710      2.067157
  C      -5.894487      0.624995      0.892708
  N      -5.558169      1.369416     -0.157748
  C      -4.945505      0.742363     -1.198668
  N      -4.629693     -0.532752     -1.304323
  C      -4.980038     -1.323692     -0.244771
  C      -4.687671     -2.709087     -0.292195
  C      -5.041177     -3.526904      0.760644
  C      -5.701161     -2.997503      1.894777
  C      -5.994747     -1.650821      1.967530
  C      -5.637235     -0.783250      0.904246
  C      -3.238694      6.998293      5.782894
  C      -2.748642      7.625375      4.466341
  C      -3.413731      7.040292      3.222129
  C      -4.882847      7.355757      3.078786
  N      -5.402139      8.300181      3.850989
  C      -6.739178      8.530302      3.750917
  N      -7.614558      7.896955      2.998172
  C      -7.101416      6.927275      2.179141
  C      -7.980870      6.188074      1.350308
  C      -7.482098      5.218683      0.503288
  C      -6.093575      4.962334      0.441753
  C      -5.219094      5.662777      1.247689
  C      -5.702186      6.642648      2.147291
  C      -6.170901      2.675467      7.377371
  C      -7.036533      3.882223      7.744505
  C      -8.503816      3.503401      7.939588
  C      -9.266062      3.157830      6.680771
  N      -8.668198      3.327574      5.512429
  C      -9.373436      3.039800      4.386338
  N     -10.606610      2.580227      4.304720
  C     -11.250413      2.389310      5.499147
  C     -12.579706      1.897634      5.495341
  C     -13.254783      1.715562      6.685110
  C     -12.633169      2.015728      7.919708
  C     -11.336132      2.488556      7.951915
  C     -10.615658      2.679829      6.746797
  H      -3.840241      2.210070      2.061667
  H      -4.934366      3.495896      2.610901
  H      -6.113041      1.903534      4.104394
  H      -5.088570      0.573832      3.535249
  H      -7.386013      0.746246      2.427474
  H      -6.887916      2.297689      1.724560
  H      -4.681583      1.385823     -2.044384
  H      -4.186273     -3.096838     -1.180041
  H      -4.816129     -4.594119      0.720520
  H      -5.981223     -3.661311      2.714132
  H      -6.509009     -1.251484      2.842102
  H      -4.326921      7.109436      5.847549
  H      -2.796394      7.571485      6.620990
  H      -1.657399      7.503344      4.377083
  H      -2.948732      8.705575      4.516837
  H      -2.894019      7.398681      2.315842
  H      -3.293263      5.944783      3.216911
  H      -7.124914      9.331649      4.390187
  H      -9.047334      6.411687      1.406696
  H      -8.161316      4.641317     -0.126500
  H      -5.722694      4.175117     -0.216044
  H      -4.150945      5.448549      1.206387
  H      -6.214414      1.935347      8.197165
  H      -6.618232      2.196850      6.491333
  H      -6.654996      4.339529      8.671596
  H      -6.947047      4.625689      6.939560
  H      -8.597414      2.663729      8.651517
  H      -9.042954      4.339365      8.420180
  H      -8.838903      3.214530      3.444848
  H     -13.040822      1.676011      4.531856
  H     -14.279432      1.340004      6.677650
  H     -13.184488      1.870909      8.849918
  H     -10.862459      2.721355      8.906484
  N      -5.492075      4.779260      4.924463
96
Coordinates from ORCA-job orca E -6203.181743158224
  N      -3.575625      2.846814      4.053870
  Mo     -4.118559      4.051732      5.544484
  N      -4.766983      2.986640      7.095165
  C      -3.788741      2.478066      8.056058
  C      -2.534173      1.962871      7.347919
  N      -2.038533      2.961014      6.393023
  C      -1.431622      2.401069      5.180733
  C      -2.510874      1.866885      4.240973
  C      -1.282269      4.058774      7.005260
  C      -1.490437      5.351234      6.221970
  N      -2.909746      5.583888      5.956536
  H      -2.042362      1.626922      3.267646
  H      -2.911997      0.908954      4.631022
  H      -0.898138      3.218397      4.673161
  H      -0.691829      1.610537      5.416410
  H      -1.077770      6.189685      6.813307
  H      -0.906773      5.325015      5.280245
  H      -1.675510      4.200151      8.022486
  H      -0.203636      3.819800      7.091521
  H      -4.221695      1.643325      8.633888
  H      -3.509997      3.255814      8.794372
  H      -2.800889      1.060522      6.779603
  H      -1.755465      1.680375      8.084319
  C      -4.447823      2.560099      2.917778
  C      -5.539856      1.532865      3.238411
  C      -6.518821      1.319739      2.066802
  C      -5.893964      0.624467      0.892053
  N      -5.557692      1.369312     -0.158136
  C      -4.945119      0.742604     -1.199343
  N      -4.629407     -0.532480     -1.305533
  C      -4.979631     -1.323809     -0.246257
  C      -4.687272     -2.709197     -0.294202
  C      -5.040612     -3.527364      0.758416
  C      -5.700425     -2.998365      1.892830
  C      -5.994035     -1.651710      1.966089
  C      -5.636687     -0.783784      0.903034
  C      -3.239977      6.997892      5.783362
  C      -2.749492      7.625708      4.467305
  C      -3.413846      7.040740      3.222672
  C      -4.883019      7.355772      3.078815
  N      -5.402868      8.300124      3.850690
  C      -6.739963      8.529718      3.750285
  N      -7.614906      7.895910      2.997419
  C      -7.101176      6.926395      2.178578
  C      -7.980123      6.186839      1.349514
  C      -7.480767      5.217605      0.502668
  C      -6.092150      4.961736      0.441543
  C      -5.218140      5.662523      1.247714
  C      -5.701815      6.642257      2.147125
  C      -6.171384      2.676281      7.377937
  C      -7.036511      3.883472      7.744814
  C      -8.503909      3.505113      7.940254
  C      -9.266324      3.159120      6.681665
  N      -8.668686      3.328636      5.513192
  C      -9.374089      3.040614      4.387274
  N     -10.607310      2.581134      4.305948
  C     -11.250881      2.390336      5.500522
  C     -12.580167      1.898637      5.497023
  C     -13.254960      1.716540      6.686945
  C     -12.633056      2.016724      7.921397
  C     -11.336046      2.489640      7.953306
  C     -10.615871      2.680958      6.748013
  H      -3.839393      2.209609      2.061603
  H      -4.934247      3.494897      2.610599
  H      -6.112205      1.901843      4.104200
  H      -5.087612      0.572637      3.534479
  H      -7.385316      0.745069      2.427085
  H      -6.887535      2.296764      1.724534
  H      -4.681246      1.386391     -2.044828
  H      -4.185992     -3.096613     -1.182260
  H      -4.815556     -4.594564      0.717898
  H      -5.980347     -3.662422      2.712031
  H      -6.508179     -1.252682      2.840867
  H      -4.328293      7.108518      5.847402
  H      -2.798536      7.570893      6.622042
  H      -1.658172      7.504132      4.378469
  H      -2.950201      8.705771      4.518176
  H      -2.893931      7.399577      2.316673
  H      -3.293181      5.945259      3.217127
  H      -7.126184      9.330960      4.389388
  H      -9.046686      6.410059      1.405598
  H      -8.159584      4.639976     -0.127315
  H      -5.720760      4.174607     -0.216058
  H      -4.149921      5.448574      1.206676
  H      -6.215079      1.936506      8.198030
  H      -6.619108      2.197599      6.492131
  H      -6.654802      4.341024      8.671710
  H      -6.947095      4.626631      6.939578
  H      -8.597495      2.665716      8.652520
  H      -9.042873      4.341294      8.420640
  H      -8.839662      3.215045      3.445666
  H     -13.041473      1.676977      4.533635
  H     -14.279602      1.340954      6.679762
  H     -13.184142      1.871815      8.851732
  H     -10.862183      2.722462      8.907773
  N      -5.492303      4.778661      4.923992
96
Coordinates from ORCA-job orca E -6203.181743428190
  N      -3.575232      2.846469      4.053831
  Mo     -4.118460      4.051545      5.544212
  N      -4.767197      2.986977      7.095070
  C      -3.789072      2.478251      8.056007
  C      -2.534560      1.962884      7.347891
  N      -2.038589      2.960907      6.393049
  C      -1.431385      2.400839      5.180975
  C      -2.510428      1.866604      4.240982
  C      -1.282416      4.058670      7.005400
  C      -1.490502      5.351161      6.222139
  N      -2.909801      5.583720      5.956489
  H      -2.041772      1.626790      3.267691
  H      -2.911541      0.908602      4.630868
  H      -0.897831      3.218173      4.673484
  H      -0.691647      1.610330      5.416889
  H      -1.078061      6.189625      6.813605
  H      -0.906724      5.325032      5.280488
  H      -1.675708      4.199987      8.022613
  H      -0.203789      3.819690      7.091738
  H      -4.222133      1.643418      8.633636
  H      -3.510385      3.255846      8.794501
  H      -2.801595      1.060701      6.779453
  H      -1.755952      1.680019      8.084258
  C      -4.447321      2.559680      2.917628
  C      -5.539618      1.532757      3.238307
  C      -6.518662      1.319945      2.066732
  C      -5.893958      0.624519      0.891969
  N      -5.557449      1.369316     -0.158187
  C      -4.945010      0.742432     -1.199383
  N      -4.629606     -0.532720     -1.305564
  C      -4.980056     -1.323982     -0.246317
  C      -4.688021     -2.709443     -0.294226
  C      -5.041598     -3.527505      0.758386
  C      -5.701343     -2.998346      1.892764
  C      -5.994643     -1.651622      1.965992
  C      -5.637033     -0.783795      0.902933
  C      -3.240156      6.997689      5.783405
  C      -2.749595      7.625705      4.467459
  C      -3.413870      7.040813      3.222759
  C      -4.883067      7.355802      3.078907
  N      -5.402967      8.300116      3.850766
  C      -6.740095      8.529557      3.750478
  N      -7.615008      7.895694      2.997626
  C      -7.101220      6.926276      2.178714
  C      -7.980137      6.186732      1.349606
  C      -7.480760      5.217574      0.502682
  C      -6.092140      4.961766      0.441543
  C      -5.218149      5.662541      1.247764
  C      -5.701830      6.642204      2.147220
  C      -6.171670      2.677088      7.378008
  C      -7.036472      3.884534      7.744803
  C      -8.503992      3.506490      7.940207
  C      -9.266262      3.160138      6.681654
  N      -8.668812      3.330313      5.513189
  C      -9.374043      3.042023      4.387239
  N     -10.606962      2.581748      4.305871
  C     -11.250355      2.390252      5.500431
  C     -12.579311      1.897651      5.496884
  C     -13.253921      1.714819      6.686792
  C     -12.632167      2.015164      7.921282
  C     -11.335476      2.488958      7.953242
  C     -10.615489      2.681026      6.747954
  H      -3.838673      2.208884      2.061744
  H      -4.933517      3.494481      2.610110
  H      -6.111780      1.901943      4.104134
  H      -5.087630      0.572427      3.534433
  H      -7.385372      0.745552      2.426929
  H      -6.887020      2.297098      1.724443
  H      -4.680894      1.386171     -2.044831
  H      -4.186794     -3.096969     -1.182265
  H      -4.816779     -4.594757      0.717889
  H      -5.981467     -3.662305      2.711974
  H      -6.508736     -1.252450      2.840733
  H      -4.328491      7.108250      5.847284
  H      -2.798942      7.570643      6.622246
  H      -1.658270      7.504183      4.378642
  H      -2.950437      8.705734      4.518446
  H      -2.893962      7.399729      2.316789
  H      -3.293299      5.945324      3.217070
  H      -7.126380      9.330717      4.389646
  H      -9.046712      6.409893      1.405736
  H      -8.159546      4.639959     -0.127347
  H      -5.720716      4.174669     -0.216078
  H      -4.149934      5.448587      1.206658
  H      -6.215559      1.937424      8.198184
  H      -6.619565      2.198487      6.492245
  H      -6.654791      4.342038      8.671733
  H      -6.946955      4.627651      6.939543
  H      -8.597740      2.667410      8.652825
  H      -9.042873      4.342951      8.420210
  H      -8.839730      3.216889      3.445641
  H     -13.040489      1.675884      4.533459
  H     -14.278298      1.338512      6.679585
  H     -13.183094      1.869663      8.851619
  H     -10.861779      2.721929      8.907756
  N      -5.492047      4.778472      4.923472
96
Coordinates from ORCA-job orca E -6203.181743921319
  N      -3.574580      2.845821      4.053732
  Mo     -4.118355      4.051052      5.543809
  N      -4.767534      2.987258      7.094949
  C      -3.789569      2.478272      8.055925
  C      -2.535088      1.962777      7.347835
  N      -2.038704      2.960685      6.393101
  C      -1.430965      2.400529      5.181348
  C      -2.509615      1.866139      4.240971
  C      -1.282728      4.058467      7.005692
  C      -1.490777      5.351042      6.222550
  N      -2.910064      5.583347      5.956508
  H      -2.040697      1.626633      3.267736
  H      -2.910644      0.907986      4.630568
  H      -0.897389      3.217952      4.674017
  H      -0.691220      1.610135      5.417606
  H      -1.078776      6.189508      6.814308
  H      -0.906750      5.325160      5.281053
  H      -1.676099      4.199595      8.022898
  H      -0.204100      3.819521      7.092126
  H      -4.222721      1.643177      8.633132
  H      -3.511099      3.255592      8.794787
  H      -2.802559      1.060831      6.779213
  H      -1.756592      1.679401      8.084122
  C      -4.446421      2.558951      2.917301
  C      -5.539066      1.532376      3.237926
  C      -6.518182      1.320173      2.066332
  C      -5.893672      0.624613      0.891500
  N      -5.556933      1.369376     -0.158610
  C      -4.944631      0.742320     -1.199802
  N      -4.629530     -0.532894     -1.305983
  C      -4.980233     -1.324114     -0.246787
  C      -4.688542     -2.709654     -0.294670
  C      -5.042441     -3.527630      0.757890
  C      -5.702190     -2.998326      1.892204
  C      -5.995139     -1.651528      1.965416
  C      -5.637163     -0.783771      0.902404
  C      -3.240697      6.997239      5.783653
  C      -2.750167      7.625669      4.467880
  C      -3.414190      7.040817      3.223038
  C      -4.883459      7.355555      3.079119
  N      -5.403609      8.299689      3.850989
  C      -6.740796      8.528809      3.750696
  N      -7.615498      7.894951      2.997609
  C      -7.101444      6.925771      2.178588
  C      -7.980145      6.186303      1.349195
  C      -7.480584      5.217277      0.502218
  C      -6.091948      4.961545      0.441356
  C      -5.218148      5.662295      1.247826
  C      -5.702001      6.641836      2.147279
  C      -6.172122      2.678106      7.378205
  C      -7.036310      3.886017      7.744877
  C      -8.504063      3.508709      7.940342
  C      -9.266275      3.161817      6.681944
  N      -8.669108      3.332659      5.513435
  C      -9.374171      3.043891      4.387513
  N     -10.606731      2.582642      4.306206
  C     -11.249861      2.390481      5.500803
  C     -12.578421      1.896793      5.497332
  C     -13.252770      1.713280      6.687276
  C     -12.631162      2.014033      7.921744
  C     -11.334837      2.488851      7.953638
  C     -10.615118      2.681597      6.748297
  H      -3.837408      2.207798      2.061835
  H      -4.932346      3.493755      2.609379
  H      -6.110951      1.901748      4.103856
  H      -5.087392      0.571861      3.533922
  H      -7.385255      0.746150      2.426235
  H      -6.885941      2.297568      1.724091
  H      -4.680342      1.386003     -2.045241
  H      -4.187331     -3.097274     -1.182679
  H      -4.817877     -4.594935      0.717396
  H      -5.982609     -3.662196      2.711385
  H      -6.509228     -1.252200      2.840087
  H      -4.329052      7.107712      5.847391
  H      -2.799737      7.570110      6.622694
  H      -1.658801      7.504463      4.379084
  H      -2.951367      8.705621      4.519022
  H      -2.894278      7.399864      2.317126
  H      -3.293606      5.945329      3.217164
  H      -7.127348      9.329672      4.390076
  H      -9.046749      6.409372      1.405211
  H      -8.159200      4.639710     -0.128036
  H      -5.720365      4.174473     -0.216202
  H      -4.149932      5.448313      1.206842
  H      -6.216211      1.938648      8.198544
  H      -6.620353      2.199586      6.492572
  H      -6.654557      4.343401      8.671837
  H      -6.946545      4.629048      6.939573
  H      -8.598240      2.670280      8.653653
  H      -9.042549      4.345856      8.419617
  H      -8.840068      3.219214      3.445871
  H     -13.039480      1.674745      4.533917
  H     -14.276822      1.336092      6.680127
  H     -13.181852      1.868025      8.852140
  H     -10.861340      2.722194      8.908165
  N      -5.491768      4.777807      4.922622
96
Coordinates from ORCA-job orca E -6203.181744172512
  N      -3.574058      2.845390      4.053597
  Mo     -4.118259      4.050646      5.543525
  N      -4.767722      2.987314      7.094834
  C      -3.789865      2.478105      8.055809
  C      -2.535355      1.962634      7.347736
  N      -2.038760      2.960552      6.393136
  C      -1.430595      2.400439      5.181579
  C      -2.508922      1.865896      4.240914
  C      -1.282954      4.058332      7.005974
  C      -1.491033      5.351005      6.222987
  N      -2.910300      5.583083      5.956617
  H      -2.039771      1.626660      3.267727
  H      -2.909842      0.907602      4.630273
  H      -0.897061      3.217978      4.674386
  H      -0.690774      1.610184      5.418050
  H      -1.079381      6.189439      6.815028
  H      -0.906756      5.325380      5.281639
  H      -1.676396      4.199249      8.023181
  H      -0.204321      3.819438      7.092459
  H      -4.223035      1.642759      8.632655
  H      -3.511613      3.255213      8.794973
  H      -2.803050      1.060838      6.778973
  H      -1.756920      1.678961      8.083969
  C      -4.445713      2.558438      2.917024
  C      -5.538619      1.532115      3.237655
  C      -6.517824      1.320403      2.066062
  C      -5.893514      0.624764      0.891135
  N      -5.556750      1.369483     -0.158993
  C      -4.944550      0.742343     -1.200198
  N      -4.629504     -0.532881     -1.306336
  C      -4.980298     -1.324077     -0.247142
  C      -4.688746     -2.709642     -0.295001
  C      -5.042810     -3.527585      0.757524
  C      -5.702594     -2.998218      1.891794
  C      -5.995372     -1.651389      1.964996
  C      -5.637208     -0.783656      0.902016
  C      -3.241150      6.996911      5.783934
  C      -2.750753      7.625629      4.468246
  C      -3.414550      7.040727      3.223309
  C      -4.883890      7.355156      3.079325
  N      -5.404345      8.298987      3.851342
  C      -6.741583      8.527808      3.750949
  N      -7.616026      7.894058      2.997476
  C      -7.101652      6.925159      2.178311
  C      -7.980082      6.185796      1.348545
  C      -7.480258      5.216957      0.501497
  C      -6.091589      4.961343      0.440968
  C      -5.218047      5.662044      1.247766
  C      -5.702160      6.641405      2.147250
  C      -6.172389      2.678612      7.378301
  C      -7.036140      3.886845      7.744912
  C      -8.504055      3.510105      7.940477
  C      -9.266326      3.162930      6.682221
  N      -8.669342      3.334106      5.513662
  C      -9.374336      3.045030      4.387788
  N     -10.606684      2.583173      4.306565
  C     -11.249649      2.390747      5.501210
  C     -12.577994      1.896455      5.497850
  C     -13.252196      1.712718      6.687841
  C     -12.630670      2.013854      7.922258
  C     -11.334536      2.489217      7.954050
  C     -10.614961      2.682170      6.748657
  H      -3.836533      2.206988      2.061812
  H      -4.931450      3.493256      2.608847
  H      -6.110268      1.901625      4.103674
  H      -5.087154      0.571440      3.533444
  H      -7.385161      0.746639      2.425739
  H      -6.885136      2.297998      1.723907
  H      -4.680226      1.385987     -2.045658
  H      -4.187531     -3.097303     -1.182989
  H      -4.818352     -4.594911      0.717031
  H      -5.983176     -3.662056      2.710944
  H      -6.509474     -1.251974      2.839620
  H      -4.329513      7.107348      5.847678
  H      -2.800244      7.569756      6.623028
  H      -1.659340      7.504791      4.379453
  H      -2.952275      8.705518      4.519444
  H      -2.894642      7.399845      2.317430
  H      -3.293821      5.945251      3.217378
  H      -7.128424      9.328365      4.390540
  H      -9.046720      6.408760      1.404383
  H      -8.158661      4.639462     -0.129049
  H      -5.719802      4.174359     -0.216581
  H      -4.149816      5.448119      1.206967
  H      -6.216526      1.939298      8.198759
  H      -6.620869      2.200093      6.492797
  H      -6.654269      4.344112      8.671884
  H      -6.946155      4.629821      6.939590
  H      -8.598583      2.672150      8.654279
  H      -9.042136      4.347818      8.419245
  H      -8.840379      3.220566      3.446094
  H     -13.039000      1.674138      4.534470
  H     -14.276069      1.335042      6.680760
  H     -13.181223      1.867726      8.852716
  H     -10.861157      2.722885      8.908556
  N      -5.491608      4.777174      4.921987
96
Coordinates from ORCA-job orca E -6203.181744276843
  N      -3.573529      2.845026      4.053271
  Mo     -4.118163      4.050045      5.543283
  N      -4.767642      2.986931      7.094725
  C      -3.789737      2.477422      8.055502
  C      -2.535177      1.962289      7.347259
  N      -2.038630      2.960464      6.392920
  C      -1.430044      2.400681      5.181416
  C      -2.508025      1.865898      4.240501
  C      -1.283073      4.058230      7.006134
  C      -1.491461      5.351105      6.223537
  N      -2.910746      5.582779      5.956956
  H      -2.038647      1.627129      3.267307
  H      -2.908625      0.907340      4.629534
  H      -0.896748      3.218493      4.674404
  H      -0.689955      1.610691      5.417929
  H      -1.080219      6.189452      6.815985
  H      -0.906949      5.325985      5.282319
  H      -1.676511      4.198704      8.023403
  H      -0.204398      3.819516      7.092505
  H      -4.222743      1.641660      8.631879
  H      -3.511754      3.254246      8.795063
  H      -2.802980      1.060669      6.778260
  H      -1.756694      1.678369      8.083339
  C      -4.445067      2.557904      2.916655
  C      -5.538046      1.531632      3.237371
  C      -6.517411      1.320327      2.065847
  C      -5.893324      0.624774      0.890716
  N      -5.556952      1.369500     -0.159515
  C      -4.944815      0.742462     -1.200810
  N      -4.629430     -0.532684     -1.306915
  C      -4.979944     -1.323933     -0.247648
  C      -4.688144     -2.709435     -0.295517
  C      -5.042024     -3.527451      0.757013
  C      -5.701858     -2.998202      1.891314
  C      -5.994818     -1.651423      1.964542
  C      -5.636830     -0.783610      0.901564
  C      -3.242005      6.996513      5.784594
  C      -2.751981      7.625693      4.468984
  C      -3.415411      7.040619      3.223925
  C      -4.884879      7.354430      3.079807
  N      -5.405915      8.297746      3.852064
  C      -6.743232      8.526051      3.751379
  N      -7.617192      7.892372      2.997293
  C      -7.102212      6.923937      2.177938
  C      -7.980123      6.184606      1.347614
  C      -7.479744      5.216111      0.500491
  C      -6.090982      4.960874      0.440465
  C      -5.217943      5.661625      1.247756
  C      -5.702629      6.640637      2.147300
  C      -6.172331      2.678449      7.378524
  C      -7.035746      3.886936      7.745048
  C      -8.503809      3.510750      7.940780
  C      -9.266298      3.163630      6.682663
  N      -8.669235      3.334393      5.514066
  C      -9.374294      3.045345      4.388242
  N     -10.606797      2.583844      4.307085
  C     -11.249842      2.391902      5.501761
  C     -12.578351      1.898033      5.498502
  C     -13.252652      1.714825      6.688519
  C     -12.631078      2.016093      7.922878
  C     -11.334773      2.491020      7.954578
  C     -10.615089      2.683400      6.749163
  H      -3.835852      2.206288      2.061548
  H      -4.930809      3.492690      2.608373
  H      -6.109439      1.901164      4.103535
  H      -5.086606      0.570838      3.532790
  H      -7.384871      0.746623      2.425331
  H      -6.884494      2.298080      1.723895
  H      -4.680859      1.386119     -2.046375
  H      -4.186926     -3.097009     -1.183541
  H      -4.817387     -4.594737      0.716489
  H      -5.982333     -3.662102      2.710449
  H      -6.508944     -1.252056      2.839175
  H      -4.330381      7.106793      5.848497
  H      -2.801069      7.569342      6.623687
  H      -1.660482      7.505581      4.380168
  H      -2.954096      8.705471      4.520273
  H      -2.895528      7.399861      2.318089
  H      -3.294269      5.945181      3.218003
  H      -7.130597      9.326127      4.391259
  H      -9.046840      6.407265      1.403152
  H      -8.157749      4.638606     -0.130469
  H      -5.718770      4.174086     -0.217084
  H      -4.149648      5.447964      1.207294
  H      -6.216278      1.939352      8.199180
  H      -6.621080      2.199741      6.493264
  H      -6.653715      4.344125      8.671998
  H      -6.945544      4.629831      6.939685
  H      -8.598677      2.673115      8.654890
  H      -9.041334      4.348992      8.419271
  H      -8.840304      3.220554      3.446501
  H     -13.039407      1.675633      4.535166
  H     -14.276640      1.337458      6.681475
  H     -13.181676      1.870468      8.853386
  H     -10.861396      2.724798      8.909065
  N      -5.491642      4.776157      4.921557
96
Coordinates from ORCA-job orca E -6203.181744371404
  N      -3.573117      2.844588      4.053019
  Mo     -4.118023      4.049595      5.543004
  N      -4.767750      2.986886      7.094619
  C      -3.789948      2.477088      8.055350
  C      -2.535343      1.962023      7.347118
  N      -2.038693      2.960286      6.392937
  C      -1.429756      2.400598      5.181551
  C      -2.507449      1.865648      4.240414
  C      -1.283214      4.057986      7.006412
  C      -1.491664      5.350974      6.223992
  N      -2.910906      5.582497      5.957162
  H      -2.037803      1.627071      3.267302
  H      -2.907938      0.906970      4.629259
  H      -0.896506      3.218500      4.674633
  H      -0.689551      1.610769      5.418233
  H      -1.080620      6.189240      6.816699
  H      -0.906885      5.326084      5.282923
  H      -1.676701      4.198248      8.023691
  H      -0.204544      3.819281      7.092757
  H      -4.222966      1.641125      8.631429
  H      -3.512112      3.253750      8.795137
  H      -2.803223      1.060480      6.778033
  H      -1.756908      1.677972      8.083194
  C      -4.444541      2.557251      2.916402
  C      -5.537597      1.531035      3.237252
  C      -6.517133      1.320057      2.065812
  C      -5.893293      0.624638      0.890454
  N      -5.557398      1.369384     -0.159897
  C      -4.945318      0.742501     -1.201310
  N      -4.629509     -0.532544     -1.307399
  C      -4.979645     -1.323862     -0.248041
  C      -4.687477     -2.709274     -0.295953
  C      -5.041058     -3.527410      0.756588
  C      -5.700932     -2.998342      1.890954
  C      -5.994182     -1.651635      1.964242
  C      -5.636501     -0.783699      0.901264
  C      -3.242239      6.996195      5.784874
  C      -2.752554      7.625461      4.469178
  C      -3.415999      7.040270      3.224178
  C      -4.885496      7.353953      3.080151
  N      -5.406639      8.296965      3.852723
  C      -6.743965      8.525249      3.751952
  N      -7.617818      7.891883      2.997483
  C      -7.102736      6.923631      2.177951
  C      -7.980563      6.184491      1.347371
  C      -7.480108      5.216087      0.500182
  C      -6.091340      4.960797      0.440359
  C      -5.218398      5.661410      1.247857
  C      -5.703165      6.640337      2.147459
  C      -6.172521      2.678752      7.378567
  C      -7.035560      3.887548      7.744911
  C      -8.503751      3.511899      7.940786
  C      -9.266363      3.164688      6.682766
  N      -8.669360      3.335520      5.514131
  C      -9.374342      3.046191      4.388352
  N     -10.606727      2.584298      4.307256
  C     -11.249744      2.392470      5.501962
  C     -12.578169      1.898356      5.498798
  C     -13.252486      1.715342      6.688841
  C     -12.631018      2.017042      7.923146
  C     -11.334775      2.492157      7.954762
  C     -10.615066      2.684330      6.749333
  H      -3.835392      2.205396      2.061354
  H      -4.930272      3.492005      2.607976
  H      -6.108776      1.900594      4.103532
  H      -5.086170      0.570134      3.532325
  H      -7.384641      0.746341      2.425180
  H      -6.884116      2.297934      1.724113
  H      -4.681818      1.386181     -2.047000
  H      -4.186260     -3.096719     -1.184037
  H      -4.816160     -4.594638      0.716014
  H      -5.981200     -3.662352      2.710072
  H      -6.508325     -1.252382      2.838918
  H      -4.330597      7.106554      5.849040
  H      -2.801022      7.569069      6.623788
  H      -1.661016      7.505727      4.380234
  H      -2.954890      8.705205      4.520440
  H      -2.896164      7.399353      2.318262
  H      -3.294733      5.944835      3.218433
  H      -7.131423      9.325079      4.392088
  H      -9.047277      6.407199      1.402811
  H      -8.158039      4.638697     -0.130957
  H      -5.719098      4.174058     -0.217228
  H      -4.150107      5.447715      1.207520
  H      -6.216434      1.939845      8.199390
  H      -6.621456      2.199862      6.493503
  H      -6.653333      4.344712      8.671796
  H      -6.945069      4.630295      6.939451
  H      -8.598959      2.674617      8.655236
  H      -9.040817      4.350673      8.418886
  H      -8.840407      3.221419      3.446575
  H     -13.039181      1.675645      4.535512
  H     -14.276406      1.337791      6.681817
  H     -13.181606      1.871642      8.853694
  H     -10.861493      2.726270      8.909215
  N      -5.491534      4.775379      4.920931
96
Coordinates from ORCA-job orca E -6203.181744694647
  N      -3.572879      2.844267      4.052729
  Mo     -4.118022      4.049131      5.542811
  N      -4.767848      2.986686      7.094565
  C      -3.790085      2.476594      8.055180
  C      -2.535433      1.961708      7.346894
  N      -2.038806      2.960176      6.392922
  C      -1.429564      2.400696      5.181574
  C      -2.506991      1.865564      4.240249
  C      -1.283436      4.057814      7.006688
  C      -1.492056      5.350927      6.224503
  N      -2.911283      5.582268      5.957547
  H      -2.037080      1.627194      3.267209
  H      -2.907302      0.906744      4.628910
  H      -0.896410      3.218727      4.674757
  H      -0.689189      1.611051      5.418345
  H      -1.081164      6.189114      6.817438
  H      -0.907080      5.326315      5.283541
  H      -1.676963      4.197812      8.023986
  H      -0.204753      3.819181      7.092955
  H      -4.223080      1.640447      8.631005
  H      -3.512327      3.253102      8.795164
  H      -2.803271      1.060235      6.777680
  H      -1.757016      1.677600      8.082963
  C      -4.444186      2.556649      2.916147
  C      -5.536988      1.530104      3.237006
  C      -6.516725      1.319329      2.065694
  C      -5.893088      0.624314      0.889990
  N      -5.557938      1.369259     -0.160437
  C      -4.945952      0.742778     -1.202133
  N      -4.629496     -0.532095     -1.308403
  C      -4.978957     -1.323663     -0.248997
  C      -4.686166     -2.708927     -0.297170
  C      -5.039138     -3.527379      0.755342
  C      -5.698995     -2.998756      1.889925
  C      -5.992801     -1.652186      1.963476
  C      -5.635733     -0.783933      0.900561
  C      -3.242763      6.995931      5.785358
  C      -2.753358      7.625331      4.469615
  C      -3.416648      7.039934      3.224628
  C      -4.886175      7.353369      3.080476
  N      -5.407602      8.296133      3.853189
  C      -6.744931      8.524305      3.752100
  N      -7.618533      7.891049      2.997250
  C      -7.103163      6.922953      2.177694
  C      -7.980728      6.183830      1.346822
  C      -7.479967      5.215528      0.499701
  C      -6.091155      4.960350      0.440231
  C      -5.218480      5.660990      1.247974
  C      -5.703575      6.639829      2.147523
  C      -6.172671      2.678830      7.378719
  C      -7.035405      3.887901      7.744829
  C      -8.503659      3.512673      7.941039
  C      -9.266551      3.165414      6.683187
  N      -8.669546      3.335690      5.514457
  C      -9.374635      3.046149      4.388819
  N     -10.607166      2.584542      4.307934
  C     -11.250213      2.393455      5.502738
  C     -12.578818      1.899822      5.499825
  C     -13.253197      1.717593      6.689961
  C     -12.631604      2.019597      7.924123
  C     -11.335175      2.494227      7.955501
  C     -10.615399      2.685612      6.749993
  H      -3.835102      2.204903      2.061005
  H      -4.930200      3.491284      2.607765
  H      -6.108048      1.899334      4.103496
  H      -5.085296      0.569178      3.531574
  H      -7.384080      0.745346      2.425026
  H      -6.883942      2.297261      1.724403
  H      -4.683091      1.386650     -2.047875
  H      -4.184998     -3.096046     -1.185425
  H      -4.813784     -4.594502      0.714561
  H      -5.978801     -3.663037      2.708981
  H      -6.506926     -1.253265      2.838314
  H      -4.331120      7.106228      5.849718
  H      -2.801373      7.568852      6.624143
  H      -1.661764      7.506091      4.380664
  H      -2.956044      8.705016      4.520876
  H      -2.896774      7.398858      2.318678
  H      -3.295155      5.944513      3.219149
  H      -7.132611      9.323971      4.392307
  H      -9.047467      6.406460      1.402011
  H      -8.157685      4.638120     -0.131649
  H      -5.718705      4.173675     -0.217315
  H      -4.150156      5.447407      1.207914
  H      -6.216513      1.940163      8.199761
  H      -6.621785      2.199664      6.493896
  H      -6.652902      4.345206      8.671533
  H      -6.944767      4.630397      6.939161
  H      -8.598990      2.675590      8.655686
  H      -9.040308      4.351807      8.418978
  H      -8.840720      3.220949      3.446949
  H     -13.039965      1.676864      4.536661
  H     -14.277260      1.340429      6.683073
  H     -13.182218      1.874860      8.854757
  H     -10.861777      2.728552      8.909846
  N      -5.491658      4.774553      4.920522
96
Coordinates from ORCA-job orca E -6203.181744876177
  N      -3.572886      2.844206      4.052494
  Mo     -4.117967      4.049066      5.542664
  N      -4.768031      2.986949      7.094527
  C      -3.790401      2.476514      8.055090
  C      -2.535768      1.961565      7.346810
  N      -2.039054      2.960124      6.392978
  C      -1.429680      2.400690      5.181650
  C      -2.506978      1.865532      4.240199
  C      -1.283581      4.057606      7.006948
  C      -1.492150      5.350825      6.224916
  N      -2.911329      5.582266      5.957914
  H      -2.036860      1.627165      3.267252
  H      -2.907306      0.906683      4.628769
  H      -0.896477      3.218718      4.674875
  H      -0.689277      1.611099      5.418514
  H      -1.081185      6.188903      6.817969
  H      -0.907035      5.326307      5.284024
  H      -1.677130      4.197489      8.024251
  H      -0.204927      3.818862      7.093143
  H      -4.223545      1.640368      8.630793
  H      -3.512527      3.252911      8.795154
  H      -2.803586      1.060129      6.777536
  H      -1.757422      1.677422      8.082938
  C      -4.444195      2.556369      2.916033
  C      -5.536883      1.529701      3.237029
  C      -6.516851      1.319032      2.065892
  C      -5.893539      0.624149      0.889954
  N      -5.559021      1.369091     -0.160661
  C      -4.947217      0.742755     -1.202544
  N      -4.630380     -0.532028     -1.308831
  C      -4.979270     -1.323625     -0.249252
  C      -4.686093     -2.708800     -0.297484
  C      -5.038542     -3.527339      0.755143
  C      -5.698238     -2.998875      1.889889
  C      -5.992375     -1.652379      1.963512
  C      -5.635831     -0.784043      0.900503
  C      -3.242657      6.995953      5.785649
  C      -2.753324      7.625235      4.469810
  C      -3.416633      7.039724      3.224895
  C      -4.886089      7.353319      3.080610
  N      -5.407525      8.296025      3.853421
  C      -6.744798      8.524427      3.752068
  N      -7.618365      7.891369      2.997008
  C      -7.102999      6.923215      2.177500
  C      -7.980543      6.184157      1.346533
  C      -7.479735      5.215775      0.499538
  C      -6.090933      4.960459      0.440267
  C      -5.218300      5.661045      1.248074
  C      -5.703456      6.639974      2.147524
  C      -6.172931      2.679363      7.378696
  C      -7.035479      3.888634      7.744526
  C      -8.503745      3.513575      7.940877
  C      -9.266635      3.166032      6.683072
  N      -8.669744      3.336431      5.514295
  C      -9.374716      3.046394      4.388729
  N     -10.607037      2.584147      4.307950
  C     -11.250006      2.393115      5.502799
  C     -12.578432      1.898996      5.500022
  C     -13.252769      1.716861      6.690206
  C     -12.631297      2.019407      7.924292
  C     -11.335030      2.494481      7.955546
  C     -10.615295      2.685805      6.750006
  H      -3.835290      2.204556      2.060781
  H      -4.930335      3.490938      2.607610
  H      -6.107824      1.898774      4.103659
  H      -5.085057      0.568755      3.531312
  H      -7.384093      0.744953      2.425373
  H      -6.884246      2.296986      1.724858
  H      -4.684969      1.386623     -2.048477
  H      -4.185078     -3.095820     -1.185867
  H      -4.812912     -4.594402      0.714321
  H      -5.977648     -3.663255      2.709001
  H      -6.506393     -1.253581      2.838470
  H      -4.330996      7.106355      5.850156
  H      -2.801028      7.568917      6.624269
  H      -1.661712      7.506134      4.380888
  H      -2.956055      8.704920      4.521030
  H      -2.896629      7.398298      2.318887
  H      -3.295205      5.944286      3.219768
  H      -7.132443      9.324127      4.392255
  H      -9.047263      6.406916      1.401553
  H      -8.157415      4.638391     -0.131873
  H      -5.718498      4.173736     -0.217230
  H      -4.149983      5.447404      1.208204
  H      -6.216858      1.940864      8.199888
  H      -6.622077      2.199976      6.494005
  H      -6.652827      4.346114      8.671084
  H      -6.944710      4.630904      6.938669
  H      -8.599096      2.676655      8.655695
  H      -9.040315      4.352905      8.418562
  H      -8.840882      3.221247      3.446819
  H     -13.039542      1.675608      4.536939
  H     -14.276707      1.339356      6.683366
  H     -13.181869      1.874752      8.854964
  H     -10.861679      2.729199      8.909820
  N      -5.491657      4.774304      4.920178
96
Coordinates from ORCA-job orca E -6203.181744974680
  N      -3.572871      2.843980      4.052226
  Mo     -4.117959      4.048822      5.542472
  N      -4.768190      2.987045      7.094466
  C      -3.790697      2.476375      8.055037
  C      -2.536034      1.961412      7.346821
  N      -2.039314      2.960065      6.393081
  C      -1.429779      2.400665      5.181787
  C      -2.506912      1.865385      4.240229
  C      -1.283813      4.057474      7.007196
  C      -1.492408      5.350734      6.225242
  N      -2.911570      5.582202      5.958289
  H      -2.036554      1.626938      3.267412
  H      -2.907238      0.906537      4.628790
  H      -0.896560      3.218695      4.675032
  H      -0.689321      1.611163      5.418775
  H      -1.081361      6.188771      6.818311
  H      -0.907229      5.326268      5.284378
  H      -1.677417      4.197288      8.024485
  H      -0.205173      3.818694      7.093347
  H      -4.224003      1.640286      8.630687
  H      -3.512708      3.252715      8.795128
  H      -2.803691      1.059954      6.777515
  H      -1.757755      1.677370      8.083055
  C      -4.444106      2.555778      2.915872
  C      -5.536426      1.528704      3.236902
  C      -6.516649      1.318035      2.065976
  C      -5.893573      0.623669      0.889637
  N      -5.559940      1.368912     -0.161034
  C      -4.948344      0.743067     -1.203327
  N      -4.630834     -0.531527     -1.309932
  C      -4.978827     -1.323446     -0.250302
  C      -4.684924     -2.708457     -0.298899
  C      -5.036502     -3.527368      0.753742
  C      -5.696026     -2.999448      1.888837
  C      -5.990846     -1.653117      1.962822
  C      -5.635176     -0.784412      0.899840
  C      -3.242904      6.995891      5.786000
  C      -2.753629      7.625172      4.470118
  C      -3.416856      7.039519      3.225243
  C      -4.886271      7.353107      3.080780
  N      -5.407816      8.295802      3.853561
  C      -6.745060      8.524252      3.751957
  N      -7.618528      7.891167      2.996803
  C      -7.103054      6.922993      2.177385
  C      -7.980485      6.183853      1.346357
  C      -7.479504      5.215450      0.499506
  C      -6.090680      4.960172      0.440401
  C      -5.218167      5.660840      1.248247
  C      -5.703516      6.639813      2.147586
  C      -6.173161      2.679737      7.378662
  C      -7.035539      3.889205      7.744198
  C      -8.503784      3.514283      7.940911
  C      -9.266887      3.166505      6.683265
  N      -8.670073      3.336293      5.514362
  C      -9.375201      3.045944      4.388991
  N     -10.607666      2.583987      4.308511
  C     -11.250579      2.393660      5.503496
  C     -12.579156      1.899967      5.501053
  C     -13.253442      1.718504      6.691375
  C     -12.631745      2.021294      7.925283
  C     -11.335334      2.495986      7.956217
  C     -10.615653      2.686667      6.750544
  H      -3.835246      2.204130      2.060505
  H      -4.930593      3.490168      2.607422
  H      -6.107320      1.897365      4.103740
  H      -5.084270      0.567812      3.530841
  H      -7.383561      0.743554      2.425641
  H      -6.884577      2.295948      1.725399
  H      -4.686813      1.387212     -2.049269
  H      -4.184073     -3.095083     -1.187548
  H      -4.810333     -4.594306      0.712651
  H      -5.974750     -3.664154      2.707920
  H      -6.504747     -1.254747      2.838042
  H      -4.331251      7.106203      5.850580
  H      -2.801207      7.568893      6.624552
  H      -1.661994      7.506262      4.381276
  H      -2.956516      8.704829      4.521391
  H      -2.896740      7.397858      2.319209
  H      -3.295390      5.944074      3.220413
  H      -7.132754      9.324020      4.392031
  H      -9.047215      6.406581      1.401216
  H      -8.157079      4.637984     -0.131946
  H      -5.718153      4.173435     -0.217025
  H      -4.149825      5.447278      1.208583
  H      -6.217229      1.941426      8.200024
  H      -6.622330      2.200148      6.494094
  H      -6.652648      4.346995      8.670504
  H      -6.944807      4.631168      6.938052
  H      -8.598960      2.677388      8.655783
  H      -9.040276      4.353651      8.418591
  H      -8.841436      3.220322      3.446959
  H     -13.040489      1.676353      4.538132
  H     -14.277512      1.341352      6.684742
  H     -13.182267      1.877146      8.856063
  H     -10.861745      2.730866      8.910335
  N      -5.491776      4.773793      4.919837
96
Coordinates from ORCA-job orca E -6203.181745304776
  N      -3.573042      2.844076      4.052056
  Mo     -4.117871      4.049013      5.542360
  N      -4.768338      2.987589      7.094433
  C      -3.791028      2.476690      8.055061
  C      -2.536404      1.961510      7.346935
  N      -2.039600      2.960141      6.393194
  C      -1.430080      2.400644      5.181908
  C      -2.507191      1.865379      4.240320
  C      -1.283900      4.057417      7.007352
  C      -1.492357      5.350714      6.225433
  N      -2.911496      5.582420      5.958641
  H      -2.036706      1.626725      3.267609
  H      -2.907668      0.906621      4.628940
  H      -0.896772      3.218605      4.675132
  H      -0.689676      1.611118      5.418976
  H      -1.081074      6.188692      6.818436
  H      -0.907214      5.326172      5.284540
  H      -1.677501      4.197267      8.024633
  H      -0.205301      3.818460      7.093441
  H      -4.224618      1.640796      8.630762
  H      -3.512787      3.253003      8.795096
  H      -2.803964      1.060013      6.777653
  H      -1.758203      1.677554      8.083285
  C      -4.444305      2.555679      2.915829
  C      -5.536553      1.528573      3.236983
  C      -6.516971      1.317881      2.066230
  C      -5.894181      0.623557      0.889744
  N      -5.560935      1.368798     -0.161053
  C      -4.949584      0.742978     -1.203511
  N      -4.632010     -0.531597     -1.310183
  C      -4.979598     -1.323501     -0.250419
  C      -4.685566     -2.708488     -0.299063
  C      -5.036759     -3.527399      0.753707
  C      -5.696028     -2.999520      1.888964
  C      -5.990967     -1.653212      1.963004
  C      -5.635659     -0.784510      0.899908
  C      -3.242655      6.996141      5.786233
  C      -2.753252      7.625287      4.470308
  C      -3.416448      7.039566      3.225478
  C      -4.885783      7.353327      3.080808
  N      -5.407332      8.296096      3.853513
  C      -6.744532      8.524687      3.751736
  N      -7.617991      7.891571      2.996589
  C      -7.102519      6.923314      2.177275
  C      -7.979929      6.184114      1.346255
  C      -7.478877      5.215658      0.499519
  C      -6.090056      4.960353      0.440483
  C      -5.217571      5.661056      1.248312
  C      -5.702999      6.640095      2.147561
  C      -6.173382      2.680480      7.378481
  C      -7.035721      3.890018      7.743844
  C      -8.503911      3.514969      7.940626
  C      -9.266898      3.166820      6.682979
  N      -8.670275      3.336919      5.514037
  C      -9.375316      3.046160      4.388722
  N     -10.607548      2.583549      4.308340
  C     -11.250291      2.392950      5.503371
  C     -12.578630      1.898626      5.501039
  C     -13.252746      1.716852      6.691415
  C     -12.631096      2.019924      7.925275
  C     -11.334920      2.495244      7.956106
  C     -10.615416      2.686288      6.750381
  H      -3.835515      2.203936      2.060433
  H      -4.930845      3.489996      2.607215
  H      -6.107393      1.897133      4.103903
  H      -5.084347      0.567700      3.530903
  H      -7.383760      0.743373      2.426170
  H      -6.885102      2.295767      1.725794
  H      -4.688458      1.387096     -2.049597
  H      -4.184933     -3.095109     -1.187833
  H      -4.810497     -4.594317      0.712596
  H      -5.974453     -3.664257      2.708124
  H      -6.504709     -1.254885      2.838338
  H      -4.330999      7.106478      5.850813
  H      -2.800907      7.569155      6.624745
  H      -1.661622      7.506278      4.381597
  H      -2.956087      8.704954      4.521612
  H      -2.896165      7.397636      2.319431
  H      -3.295120      5.944099      3.220901
  H      -7.132188      9.324577      4.391677
  H      -9.046659      6.406863      1.401011
  H      -8.156416      4.638137     -0.131924
  H      -5.717532      4.173587     -0.216906
  H      -4.149218      5.447534      1.208784
  H      -6.217710      1.942208      8.199871
  H      -6.622455      2.200869      6.493873
  H      -6.652777      4.347997      8.670033
  H      -6.945056      4.631839      6.937558
  H      -8.598870      2.678051      8.655506
  H      -9.040668      4.354199      8.418229
  H      -8.841670      3.220716      3.446655
  H     -13.039975      1.674765      4.538179
  H     -14.276645      1.339236      6.684837
  H     -13.181487      1.875474      8.856087
  H     -10.861302      2.730332      8.910156
  N      -5.491760      4.773885      4.919656
96
Coordinates from ORCA-job orca E -6203.181745275732
  N      -3.573123      2.843943      4.051886
  Mo     -4.117765      4.049042      5.542150
  N      -4.768440      2.988012      7.094316
  C      -3.791339      2.477057      8.055118
  C      -2.536691      1.961660      7.347191
  N      -2.039846      2.960191      6.393338
  C      -1.430314      2.400525      5.182108
  C      -2.507370      1.865176      4.240520
  C      -1.284009      4.057434      7.007433
  C      -1.492367      5.350691      6.225440
  N      -2.911517      5.582561      5.958874
  H      -2.036755      1.626224      3.267943
  H      -2.908006      0.906550      4.629296
  H      -0.896952      3.218417      4.675277
  H      -0.689951      1.611001      5.419303
  H      -1.080870      6.188686      6.818281
  H      -0.907336      5.326006      5.284478
  H      -1.677624      4.197398      8.024690
  H      -0.205441      3.818351      7.093511
  H      -4.225225      1.641404      8.630929
  H      -3.512918      3.253414      8.795047
  H      -2.804061      1.060045      6.778011
  H      -1.758560      1.677923      8.083696
  C      -4.444332      2.555285      2.915723
  C      -5.536504      1.528159      3.236966
  C      -6.517095      1.317401      2.066374
  C      -5.894477      0.623309      0.889687
  N      -5.561606      1.368745     -0.161100
  C      -4.950469      0.743123     -1.203813
  N      -4.632713     -0.531385     -1.310714
  C      -4.979853     -1.323459     -0.250946
  C      -4.685565     -2.708392     -0.299795
  C      -5.036306     -3.527454      0.753008
  C      -5.695378     -2.999815      1.888489
  C      -5.990576     -1.653569      1.962734
  C      -5.635709     -0.784719      0.899616
  C      -3.242658      6.996287      5.786454
  C      -2.753116      7.625468      4.470569
  C      -3.416184      7.039719      3.225715
  C      -4.885482      7.353492      3.080844
  N      -5.407110      8.296344      3.853395
  C      -6.744299      8.524900      3.751517
  N      -7.617700      7.891620      2.996437
  C      -7.102146      6.923338      2.177223
  C      -7.979471      6.184008      1.346213
  C      -7.478288      5.215545      0.499577
  C      -6.089454      4.960317      0.440593
  C      -5.217044      5.661121      1.248410
  C      -5.702608      6.640187      2.147572
  C      -6.173555      2.681081      7.378171
  C      -7.035870      3.890654      7.743470
  C      -8.503994      3.515467      7.940441
  C      -9.267026      3.167012      6.682881
  N      -8.670598      3.337001      5.513847
  C      -9.375762      3.046025      4.388664
  N     -10.607997      2.583400      4.308508
  C     -11.250545      2.392838      5.503651
  C     -12.578849      1.898441      5.501555
  C     -13.252733      1.716593      6.692052
  C     -12.630870      2.019665      7.925805
  C     -11.334742      2.495113      7.956403
  C     -10.615483      2.686269      6.750544
  H      -3.835448      2.203447      2.060417
  H      -4.930911      3.489491      2.606837
  H      -6.107305      1.896632      4.103957
  H      -5.084271      0.567319      3.530957
  H      -7.383688      0.742743      2.426556
  H      -6.885535      2.295240      1.726133
  H      -4.689611      1.387397     -2.049862
  H      -4.185097     -3.094852     -1.188728
  H      -4.809844     -4.594325      0.711758
  H      -5.973438     -3.664693      2.707659
  H      -6.504187     -1.255434      2.838227
  H      -4.331018      7.106508      5.850963
  H      -2.801025      7.569271      6.625049
  H      -1.661488      7.506373      4.382016
  H      -2.955977      8.705122      4.521998
  H      -2.895776      7.397702      2.319702
  H      -3.294915      5.944239      3.221228
  H      -7.132001      9.324873      4.391325
  H      -9.046222      6.406669      1.400886
  H      -8.155757      4.637922     -0.131853
  H      -5.716877      4.173530     -0.216739
  H      -4.148664      5.447702      1.209026
  H      -6.218195      1.942787      8.199530
  H      -6.622522      2.201587      6.493451
  H      -6.652833      4.348814      8.669529
  H      -6.945404      4.632371      6.937062
  H      -8.598660      2.678470      8.655288
  H      -9.040999      4.354480      8.418117
  H      -8.842246      3.220460      3.446506
  H     -13.040384      1.674546      4.538795
  H     -14.276611      1.338922      6.685649
  H     -13.181088      1.875089      8.856700
  H     -10.860899      2.730212      8.910339
  N      -5.491758      4.773763      4.919390
96
Coordinates from ORCA-job orca E -6203.181745227977
  N      -3.573200      2.843942      4.051796
  Mo     -4.117541      4.049297      5.541955
  N      -4.768420      2.988646      7.094179
  C      -3.791522      2.477737      8.055206
  C      -2.536874      1.962020      7.347509
  N      -2.039966      2.960352      6.393446
  C      -1.430522      2.400432      5.182266
  C      -2.507607      1.865032      4.240753
  C      -1.283918      4.057569      7.007376
  C      -1.492144      5.350773      6.225279
  N      -2.911323      5.582864      5.959028
  H      -2.036960      1.625731      3.268276
  H      -2.908457      0.906582      4.629743
  H      -0.897113      3.218235      4.675338
  H      -0.690232      1.610870      5.419554
  H      -1.080385      6.188792      6.817911
  H      -0.907314      5.325882      5.284200
  H      -1.677474      4.197700      8.024629
  H      -0.205386      3.818311      7.093414
  H      -4.225721      1.642383      8.631206
  H      -3.512919      3.254195      8.794964
  H      -2.804108      1.060255      6.778502
  H      -1.758793      1.678512      8.084150
  C      -4.444382      2.555165      2.915652
  C      -5.536792      1.528393      3.237048
  C      -6.517464      1.317598      2.066539
  C      -5.894975      0.623335      0.889895
  N      -5.561927      1.368729     -0.160887
  C      -4.950952      0.742923     -1.203600
  N      -4.633556     -0.531670     -1.310522
  C      -4.980804     -1.323652     -0.250738
  C      -4.686811     -2.708659     -0.299531
  C      -5.037652     -3.527576      0.753343
  C      -5.696553     -2.999758      1.888841
  C      -5.991490     -1.653449      1.963031
  C      -5.636492     -0.784742      0.899834
  C      -3.242415      6.996592      5.786606
  C      -2.752734      7.625796      4.470756
  C      -3.415716      7.040055      3.225884
  C      -4.885003      7.353827      3.080899
  N      -5.406665      8.296753      3.853320
  C      -6.743861      8.525225      3.751488
  N      -7.617250      7.891786      2.996523
  C      -7.101657      6.923510      2.177351
  C      -7.978945      6.184082      1.346377
  C      -7.477707      5.215639      0.499757
  C      -6.088867      4.960489      0.440731
  C      -5.216478      5.661361      1.248514
  C      -5.702096      6.640413      2.147655
  C      -6.173590      2.681760      7.377720
  C      -7.035975      3.891242      7.743180
  C      -8.504029      3.515770      7.940096
  C      -9.266902      3.167098      6.682491
  N      -8.670704      3.337718      5.513459
  C      -9.375815      3.046664      4.388251
  N     -10.607834      2.583512      4.308088
  C     -11.250159      2.392223      5.503242
  C     -12.578217      1.897175      5.501119
  C     -13.251846      1.714511      6.691634
  C     -12.629969      2.017398      7.925427
  C     -11.334093      2.493517      7.956045
  C     -10.615105      2.685532      6.750154
  H      -3.835381      2.202978      2.060567
  H      -4.930709      3.489369      2.606369
  H      -6.107525      1.897118      4.103983
  H      -5.084820      0.567525      3.531370
  H      -7.384086      0.743122      2.426933
  H      -6.885835      2.295428      1.726198
  H      -4.689979      1.387117     -2.049675
  H      -4.186476     -3.095274     -1.188468
  H      -4.811403     -4.594497      0.712149
  H      -5.974690     -3.664535      2.708066
  H      -6.504996     -1.255176      2.838523
  H      -4.330784      7.106763      5.851063
  H      -2.800880      7.569529      6.625292
  H      -1.661122      7.506494      4.382324
  H      -2.955540      8.705448      4.522282
  H      -2.895240      7.398024      2.319900
  H      -3.294536      5.944564      3.221374
  H      -7.131595      9.325236      4.391227
  H      -9.045717      6.406648      1.401051
  H      -8.155154      4.637949     -0.131639
  H      -5.716295      4.173700     -0.216600
  H      -4.148075      5.448046      1.209179
  H      -6.218548      1.943277      8.198898
  H      -6.622392      2.202577      6.492753
  H      -6.652981      4.349366      8.669272
  H      -6.945711      4.633075      6.936852
  H      -8.598464      2.678659      8.654858
  H      -9.041427      4.354487      8.417834
  H      -8.842430      3.221530      3.446099
  H     -13.039767      1.673411      4.538333
  H     -14.275532      1.336323      6.685230
  H     -13.180004      1.872102      8.856318
  H     -10.860199      2.728504      8.909981
  N      -5.491622      4.773935      4.919201
96
Coordinates from ORCA-job orca E -6203.181745698821
  N      -3.573222      2.843802      4.051714
  Mo     -4.117299      4.049494      5.541664
  N      -4.768340      2.989198      7.093932
  C      -3.791631      2.478510      8.055262
  C      -2.536943      1.962469      7.347866
  N      -2.039997      2.960533      6.393501
  C      -1.430647      2.400310      5.182397
  C      -2.507765      1.864784      4.241014
  C      -1.283759      4.057783      7.007183
  C      -1.491929      5.350901      6.224947
  N      -2.911173      5.583139      5.959079
  H      -2.037125      1.625106      3.268627
  H      -2.908806      0.906526      4.630282
  H      -0.897247      3.218036      4.675330
  H      -0.690404      1.610736      5.419783
  H      -1.079932      6.188981      6.817328
  H      -0.907374      5.325786      5.283708
  H      -1.677212      4.198103      8.024449
  H      -0.205255      3.818384      7.093168
  H      -4.226097      1.643466      8.631505
  H      -3.512950      3.255153      8.794796
  H      -2.804021      1.060494      6.779116
  H      -1.758885      1.679273      8.084645
  C      -4.444337      2.554918      2.915528
  C      -5.537096      1.528640      3.237114
  C      -6.517827      1.317808      2.066665
  C      -5.895386      0.623361      0.890102
  N      -5.562006      1.368746     -0.160605
  C      -4.951150      0.742752     -1.203289
  N      -4.634162     -0.531933     -1.310243
  C      -4.981665     -1.323856     -0.250513
  C      -4.688047     -2.708951     -0.299260
  C      -5.039120     -3.527731      0.753630
  C      -5.697904     -2.999728      1.889115
  C      -5.992511     -1.653343      1.963259
  C      -5.637263     -0.784769      0.900022
  C      -3.242326      6.996851      5.786826
  C      -2.752512      7.626280      4.471108
  C      -3.415272      7.040596      3.226114
  C      -4.884594      7.354207      3.080992
  N      -5.406396      8.297149      3.853271
  C      -6.743621      8.525412      3.751460
  N      -7.616907      7.891801      2.996518
  C      -7.101163      6.923592      2.177389
  C      -7.978319      6.184064      1.346364
  C      -7.476953      5.215662      0.499769
  C      -6.088095      4.960639      0.440810
  C      -5.215812      5.661599      1.248637
  C      -5.701556      6.640607      2.147736
  C      -6.173550      2.682256      7.377104
  C      -7.036029      3.891581      7.742909
  C      -8.504014      3.515831      7.939797
  C      -9.266825      3.167063      6.682185
  N      -8.670871      3.338264      5.513142
  C      -9.376005      3.047259      4.387915
  N     -10.607870      2.583762      4.307772
  C     -11.249952      2.391770      5.502956
  C     -12.577823      1.896222      5.500822
  C     -13.251164      1.712750      6.691370
  C     -12.629189      2.015315      7.925198
  C     -11.333505      2.491952      7.955815
  C     -10.614828      2.684809      6.749867
  H      -3.835149      2.202289      2.060762
  H      -4.930304      3.489150      2.605785
  H      -6.107721      1.897773      4.103952
  H      -5.085496      0.567716      3.531851
  H      -7.384510      0.743534      2.427217
  H      -6.886053      2.295639      1.726164
  H      -4.689848      1.386905     -2.049294
  H      -4.187789     -3.095717     -1.188176
  H      -4.813137     -4.594711      0.712480
  H      -5.976215     -3.664396      2.708369
  H      -6.505930     -1.254918      2.838731
  H      -4.330710      7.106920      5.851199
  H      -2.800972      7.569669      6.625702
  H      -1.660899      7.506874      4.382828
  H      -2.955370      8.705906      4.522775
  H      -2.894751      7.398734      2.320220
  H      -3.294070      5.945107      3.221422
  H      -7.131501      9.325366      4.391180
  H      -9.045127      6.406485      1.400977
  H      -8.154324      4.637902     -0.131647
  H      -5.715464      4.173845     -0.216482
  H      -4.147381      5.448405      1.209417
  H      -6.218782      1.943478      8.198002
  H      -6.622184      2.203526      6.491822
  H      -6.653063      4.349546      8.669089
  H      -6.946015      4.633644      6.936763
  H      -8.598272      2.678629      8.654493
  H      -9.041734      4.354286      8.417634
  H      -8.842754      3.222519      3.445762
  H     -13.039419      1.672707      4.538000
  H     -14.274698      1.334152      6.685005
  H     -13.179026      1.869317      8.856097
  H     -10.859515      2.726735      8.909752
  N      -5.491477      4.774027      4.918929
96
Coordinates from ORCA-job orca E -6203.181826685554
  N      -3.596406      2.834429      4.057921
  Mo     -4.131298      4.043353      5.548720
  N      -4.775233      2.985088      7.105954
  C      -3.794641      2.471919      8.061926
  C      -2.544813      1.953681      7.348350
  N      -2.051181      2.951471      6.391696
  C      -1.448798      2.390286      5.177676
  C      -2.531442      1.854763      4.244061
  C      -1.291237      4.047993      7.001744
  C      -1.500394      5.340374      6.218814
  N      -2.920208      5.575264      5.957070
  H      -2.066392      1.612943      3.269724
  H      -2.931560      0.898113      4.637644
  H      -0.917620      3.206673      4.666642
  H      -0.708320      1.599946      5.411108
  H      -1.084741      6.178336      6.808751
  H      -0.919029      5.312840      5.275819
  H      -1.680554      4.189944      8.020320
  H      -0.212705      3.807139      7.083814
  H      -4.227973      1.638113      8.640948
  H      -3.510537      3.248303      8.799690
  H      -2.816900      1.052583      6.780540
  H      -1.763525      1.668698      8.081008
  C      -4.469903      2.544507      2.923650
  C      -5.564808      1.520656      3.246575
  C      -6.538427      1.304346      2.070121
  C      -5.902231      0.618460      0.895576
  N      -5.566257      1.370041     -0.149728
  C      -4.941910      0.753806     -1.189680
  N      -4.613275     -0.517751     -1.299087
  C      -4.960882     -1.316438     -0.244207
  C      -4.653294     -2.698509     -0.295265
  C      -5.003333     -3.524102      0.752794
  C      -5.674525     -3.005917      1.885475
  C      -5.982833     -1.662775      1.961801
  C      -5.629994     -0.787265      0.903358
  C      -3.248942      6.989630      5.782404
  C      -2.752206      7.617665      4.468412
  C      -3.409854      7.035347      3.218531
  C      -4.876324      7.356482      3.062783
  N      -5.398955      8.300771      3.832694
  C      -6.732885      8.540489      3.716718
  N      -7.602118      7.919504      2.947062
  C      -7.084634      6.954127      2.125987
  C      -7.956975      6.234922      1.272840
  C      -7.454227      5.269818      0.423611
  C      -6.067332      4.997330      0.383921
  C      -5.199552      5.678857      1.213809
  C      -5.687753      6.655712      2.114485
  C      -6.178978      2.679766      7.397174
  C      -7.037711      3.890596      7.770291
  C      -8.505727      3.516907      7.974479
  C      -9.271108      3.174482      6.717551
  N      -8.677312      3.361401      5.549528
  C      -9.381239      3.075421      4.422676
  N     -10.608717      2.602967      4.338332
  C     -11.248887      2.396137      5.531170
  C     -12.573443      1.893484      5.522610
  C     -13.245037      1.689602      6.710514
  C     -12.623862      1.978532      7.947984
  C     -11.331995      2.464759      7.984627
  C     -10.615625      2.680989      6.781173
  H      -3.861545      2.189274      2.069639
  H      -4.955063      3.478135      2.612618
  H      -6.139579      1.896372      4.107664
  H      -5.115442      0.561109      3.548192
  H      -7.402332      0.721093      2.423289
  H      -6.913126      2.279872      1.729655
  H      -4.682611      1.403598     -2.032105
  H      -4.143139     -3.077502     -1.181919
  H      -4.767215     -4.588842      0.709607
  H      -5.951672     -3.675798      2.700927
  H      -6.505515     -1.272705      2.835520
  H      -4.337489      7.102091      5.842662
  H      -2.809726      7.561561      6.623101
  H      -1.660627      7.494743      4.385413
  H      -2.951500      8.698076      4.519595
  H      -2.881790      7.392357      2.316447
  H      -3.293854      5.938978      3.213234
  H      -7.122310      9.337760      4.358661
  H      -9.021718      6.469438      1.313463
  H      -8.128801      4.708312     -0.225510
  H      -5.693091      4.214511     -0.277709
  H      -4.133302      5.451877      1.190050
  H      -6.220114      1.940841      8.218210
  H      -6.633746      2.201376      6.514859
  H      -6.648894      4.345757      8.695019
  H      -6.951298      4.633946      6.965066
  H      -8.595643      2.675550      8.684257
  H      -9.038910      4.354063      8.459161
  H      -8.851939      3.264934      3.482618
  H     -13.034368      1.681694      4.556727
  H     -14.266240      1.304478      6.699437
  H     -13.171998      1.815360      8.877274
  H     -10.859443      2.687371      8.941802
  N      -5.508687      4.768530      4.933833
96
Coordinates from ORCA-job orca E -6203.181754435169
  N      -3.630511      2.851648      4.057571
  Mo     -4.146746      4.061572      5.554345
  N      -4.789053      3.003089      7.113636
  C      -3.807529      2.478344      8.062228
  C      -2.566855      1.951589      7.340255
  N      -2.070718      2.948557      6.383586
  C      -1.481622      2.385284      5.164077
  C      -2.575024      1.861532      4.238511
  C      -1.298415      4.036951      6.992208
  C      -1.500063      5.332064      6.212189
  N      -2.918924      5.580937      5.957161
  H      -2.117984      1.616206      3.261560
  H      -2.982377      0.909292      4.634463
  H      -0.946536      3.196957      4.650415
  H      -0.747346      1.587223      5.389893
  H      -1.073416      6.165116      6.801224
  H      -0.923307      5.299947      5.266754
  H      -1.681257      4.180683      8.012897
  H      -0.221534      3.786637      7.068290
  H      -4.244783      1.647325      8.642446
  H      -3.512677      3.250958      8.799825
  H      -2.851218      1.055200      6.771012
  H      -1.783742      1.657122      8.067181
  C      -4.503622      2.574810      2.919452
  C      -5.618735      1.569846      3.234273
  C      -6.570615      1.355315      2.037911
  C      -5.909583      0.667735      0.877480
  N      -5.548241      1.417279     -0.160487
  C      -4.902436      0.800546     -1.186094
  N      -4.572747     -0.471458     -1.287811
  C      -4.942947     -1.268876     -0.239305
  C      -4.633782     -2.651006     -0.282487
  C      -5.005459     -3.475828      0.759020
  C      -5.699996     -2.956169      1.876729
  C      -6.010356     -1.613152      1.945044
  C      -5.636987     -0.738294      0.893033
  C      -3.234913      6.997834      5.776844
  C      -2.731780      7.611788      4.459136
  C      -3.381358      7.010935      3.213314
  C      -4.848697      7.320400      3.047883
  N      -5.379084      8.275143      3.799205
  C      -6.713336      8.506673      3.672941
  N      -7.575226      7.871883      2.906796
  C      -7.049296      6.898685      2.100893
  C      -7.912819      6.172436      1.245551
  C      -7.403187      5.195925      0.414297
  C      -6.015988      4.916987      0.395081
  C      -5.155807      5.607846      1.226446
  C      -5.652130      6.599959      2.106831
  C      -6.191885      2.700895      7.411297
  C      -7.047831      3.914593      7.787064
  C      -8.515037      3.540880      8.005357
  C      -9.281811      3.190712      6.752650
  N      -8.692190      3.394742      5.584664
  C      -9.389951      3.096585      4.457851
  N     -10.605792      2.597671      4.370918
  C     -11.242539      2.376736      5.561603
  C     -12.557178      1.851207      5.547253
  C     -13.225230      1.623186      6.732297
  C     -12.608709      1.909977      7.972536
  C     -11.327595      2.423019      8.014578
  C     -10.615896      2.668517      6.813881
  H      -3.895875      2.209585      2.069774
  H      -4.973515      3.514697      2.605785
  H      -6.204096      1.966612      4.078322
  H      -5.189782      0.607138      3.553313
  H      -7.442258      0.771538      2.371429
  H      -6.937492      2.331363      1.689509
  H      -4.627304      1.450131     -2.023841
  H      -4.104702     -3.030693     -1.157707
  H      -4.769160     -4.540792      0.721477
  H      -5.993747     -3.625167      2.687175
  H      -6.550558     -1.223345      2.808115
  H      -4.322930      7.119299      5.833763
  H      -2.792912      7.570000      6.616088
  H      -1.639775      7.488722      4.383489
  H      -2.932446      8.692688      4.496172
  H      -2.852351      7.359686      2.308424
  H      -3.259266      5.914666      3.222551
  H      -7.110583      9.308769      4.303709
  H      -8.977395      6.409004      1.272020
  H      -8.072174      4.630021     -0.237145
  H      -5.634668      4.127915     -0.255178
  H      -4.089625      5.377790      1.217686
  H      -6.229817      1.964816      8.235127
  H      -6.651717      2.218719      6.533697
  H      -6.651495      4.372812      8.706461
  H      -6.968498      4.654063      6.977866
  H      -8.594159      2.699583      8.715530
  H      -9.043968      4.378970      8.492185
  H      -8.866773      3.299273      3.519273
  H     -13.014441      1.642890      4.578766
  H     -14.239194      1.218947      6.717023
  H     -13.153028      1.725262      8.900413
  H     -10.860129      2.640915      8.974836
  N      -5.523054      4.799139      4.951689
96
Coordinates from ORCA-job orca E -6203.181900273467
  N      -3.616100      2.843003      4.051027
  Mo     -4.139035      4.056189      5.542750
  N      -4.791007      3.001041      7.100245
  C      -3.814734      2.479008      8.055987
  C      -2.570160      1.949336      7.342398
  N      -2.068255      2.943102      6.385623
  C      -1.473198      2.376389      5.170581
  C      -2.562370      1.851864      4.239682
  C      -1.297736      4.032040      6.995370
  C      -1.494688      5.326009      6.212209
  N      -2.912084      5.575130      5.950909
  H      -2.100352      1.603335      3.265671
  H      -2.973172      0.900858      4.635572
  H      -0.934370      3.186737      4.658259
  H      -0.740730      1.578095      5.402286
  H      -1.070454      6.159705      6.802195
  H      -0.913666      5.292686      5.269313
  H      -1.685254      4.177933      8.014029
  H      -0.221450      3.781054      7.076980
  H      -4.255490      1.649979      8.636167
  H      -3.523720      3.253666      8.792998
  H      -2.851662      1.051394      6.774282
  H      -1.791152      1.656742      8.074441
  C      -4.486549      2.562104      2.912292
  C      -5.602837      1.560049      3.231664
  C      -6.555466      1.339743      2.037618
  C      -5.897988      0.641498      0.881661
  N      -5.538836      1.381520     -0.163850
  C      -4.898698      0.754446     -1.186826
  N      -4.572128     -0.519085     -1.278903
  C      -4.942346     -1.306984     -0.223359
  C      -4.638597     -2.690499     -0.256804
  C      -5.011216     -3.506015      0.791567
  C      -5.701727     -2.975485      1.906708
  C      -6.006976     -1.630817      1.965496
  C      -5.631513     -0.765339      0.906630
  C      -3.226711      6.992940      5.776175
  C      -2.721163      7.613448      4.462588
  C      -3.379223      7.029723      3.213630
  C      -4.842585      7.360412      3.052792
  N      -5.359853      8.312639      3.816447
  C      -6.691440      8.562239      3.695712
  N      -7.562213      7.948658      2.922177
  C      -7.050057      6.976717      2.105796
  C      -7.924380      6.268712      1.245796
  C      -7.428215      5.294515      0.403620
  C      -6.044993      4.999506      0.378550
  C      -5.174847      5.671716      1.214247
  C      -5.656917      6.660130      2.106202
  C      -6.195579      2.698868      7.390461
  C      -7.054961      3.912469      7.756109
  C      -8.520906      3.535558      7.978317
  C      -9.292287      3.173233      6.731023
  N      -8.712755      3.373577      5.557352
  C      -9.417109      3.065173      4.437153
  N     -10.632127      2.560603      4.362931
  C     -11.258717      2.343677      5.560456
  C     -12.570935      1.810710      5.561110
  C     -13.229212      1.591013      6.753471
  C     -12.605021      1.893105      7.986291
  C     -11.325501      2.411309      8.013765
  C     -10.623274      2.646339      6.805589
  H      -3.877925      2.192055      2.065269
  H      -4.954817      3.501494      2.593310
  H      -6.188003      1.962040      4.073469
  H      -5.175166      0.598598      3.556803
  H      -7.428317      0.761235      2.376661
  H      -6.919792      2.314217      1.682618
  H      -4.620768      1.397308     -2.028729
  H      -4.112906     -3.078753     -1.130281
  H      -4.778564     -4.571979      0.761734
  H      -5.996197     -3.637222      2.722777
  H      -6.544083     -1.232259      2.826545
  H      -4.314438      7.115456      5.833011
  H      -2.784443      7.560340      6.618436
  H      -1.630292      7.482158      4.383495
  H      -2.913029      8.695453      4.509044
  H      -2.847087      7.378964      2.310924
  H      -3.270782      5.932247      3.214277
  H      -7.077004      9.363574      4.334847
  H      -8.986039      6.518008      1.276779
  H      -8.105245      4.742329     -0.251005
  H      -5.675503      4.209657     -0.277086
  H      -4.111943      5.428322      1.201308
  H      -6.237715      1.966418      8.217259
  H      -6.649681      2.212426      6.512209
  H      -6.659871      4.378489      8.672492
  H      -6.977574      4.646192      6.941523
  H      -8.596554      2.699944      8.696112
  H      -9.051714      4.375421      8.460239
  H      -8.899801      3.261879      3.492417
  H     -13.033930      1.590063      4.598185
  H     -14.241289      1.182180      6.749734
  H     -13.141488      1.715077      8.919791
  H     -10.851907      2.642239      8.968454
  N      -5.510737      4.794232      4.930196
96
Coordinates from ORCA-job orca E -6203.181913020135
  N      -3.620762      2.848321      4.053332
  Mo     -4.146934      4.054362      5.549347
  N      -4.793569      2.991929      7.103956
  C      -3.814287      2.470140      8.057030
  C      -2.568131      1.947761      7.340611
  N      -2.071085      2.947282      6.387607
  C      -1.473893      2.388187      5.170027
  C      -2.561350      1.861687      4.237147
  C      -1.305580      4.037414      7.001656
  C      -1.507778      5.333409      6.223076
  N      -2.925911      5.577210      5.961040
  H      -2.099003      1.618568      3.261811
  H      -2.967271      0.907116      4.629884
  H      -0.939361      3.203528      4.660763
  H      -0.737121      1.592764      5.398443
  H      -1.087684      6.167173      6.815933
  H      -0.925896      5.305800      5.280424
  H      -1.694242      4.177733      8.020698
  H      -0.228226      3.790986      7.082856
  H      -4.251333      1.637589      8.634778
  H      -3.525472      3.243344      8.796388
  H      -2.846202      1.050744      6.769373
  H      -1.787353      1.655814      8.070992
  C      -4.495532      2.565429      2.918608
  C      -5.604420      1.557487      3.244827
  C      -6.568227      1.336558      2.060653
  C      -5.920779      0.646893      0.894222
  N      -5.578735      1.393513     -0.152455
  C      -4.946122      0.774143     -1.185122
  N      -4.613631     -0.497169     -1.286171
  C      -4.967486     -1.291453     -0.229935
  C      -4.656601     -2.673053     -0.272631
  C      -5.013027     -3.494999      0.776225
  C      -5.694086     -2.973100      1.901232
  C      -6.005785     -1.630312      1.969235
  C      -5.646436     -0.758388      0.910130
  C      -3.244225      6.993981      5.785314
  C      -2.727513      7.618387      4.477757
  C      -3.367362      7.032878      3.220374
  C      -4.829268      7.359743      3.037752
  N      -5.361107      8.310300      3.793492
  C      -6.691026      8.557667      3.650403
  N      -7.547521      7.943269      2.861455
  C      -7.019986      6.971445      2.054589
  C      -7.878480      6.259771      1.181376
  C      -7.365759      5.286392      0.347944
  C      -5.981892      4.995898      0.345603
  C      -5.127461      5.671464      1.194101
  C      -5.626424      6.658442      2.077781
  C      -6.197357      2.687501      7.395436
  C      -7.055374      3.899282      7.767133
  C      -8.520738      3.521435      7.988633
  C      -9.295790      3.165174      6.741455
  N      -8.723406      3.374171      5.565756
  C      -9.433705      3.071688      4.447451
  N     -10.649653      2.567223      4.377620
  C     -11.268728      2.341294      5.578036
  C     -12.580645      1.806334      5.584956
  C     -13.231701      1.582307      6.780702
  C     -12.600816      1.881741      8.010787
  C     -11.320897      2.399371      8.032249
  C     -10.625536      2.637022      6.820685
  H      -3.890639      2.199759      2.066967
  H      -4.970267      3.503608      2.604212
  H      -6.183361      1.954060      4.093536
  H      -5.169070      0.597116      3.563388
  H      -7.434074      0.752435      2.407616
  H      -6.941525      2.310353      1.713907
  H      -4.681885      1.421523     -2.027865
  H      -4.138745     -3.054713     -1.153641
  H      -4.774514     -4.559418      0.739374
  H      -5.975972     -3.639880      2.717596
  H      -6.535783     -1.238240      2.837666
  H      -4.332718      7.112517      5.832666
  H      -2.811453      7.561765      6.632097
  H      -1.635118      7.492665      4.411133
  H      -2.925083      8.699319      4.522837
  H      -2.823467      7.383262      2.325219
  H      -3.255582      5.936058      3.222598
  H      -7.088774      9.357854      4.283624
  H      -8.941195      6.506475      1.194437
  H      -8.030148      4.731637     -0.317181
  H      -5.599758      4.205424     -0.301943
  H      -4.063991      5.431171      1.198476
  H      -6.238500      1.951438      8.219016
  H      -6.652786      2.205246      6.515348
  H      -6.659146      4.360721      8.685584
  H      -6.978415      4.637036      6.956111
  H      -8.596672      2.683354      8.703853
  H      -9.050886      4.359571      8.474570
  H      -8.921633      3.275282      3.500249
  H     -13.048806      1.587243      4.624247
  H     -14.243406      1.172860      6.781729
  H     -13.131852      1.701318      8.946741
  H     -10.842104      2.629736      8.984741
  N      -5.522290      4.788078      4.939709
96
Coordinates from ORCA-job orca E -6203.181935056952
  N      -3.627946      2.855822      4.047492
  Mo     -4.151754      4.059899      5.545844
  N      -4.801748      2.995035      7.098047
  C      -3.824284      2.469199      8.050861
  C      -2.579349      1.944464      7.334384
  N      -2.079226      2.944473      6.383543
  C      -1.483653      2.385933      5.164979
  C      -2.572599      1.864805      4.231119
  C      -1.310907      4.031107      7.000085
  C      -1.508867      5.329253      6.224105
  N      -2.926038      5.577739      5.961347
  H      -2.110541      1.621138      3.255848
  H      -2.982613      0.911477      4.622501
  H      -0.946341      3.200340      4.657263
  H      -0.749608      1.587555      5.391755
  H      -1.086889      6.160501      6.819180
  H      -0.926219      5.302093      5.281947
  H      -1.699706      4.170513      8.019185
  H      -0.234270      3.781529      7.081426
  H      -4.263897      1.637253      8.627517
  H      -3.533886      3.240817      8.791253
  H      -2.860028      1.049462      6.761289
  H      -1.799724      1.648862      8.064509
  C      -4.500948      2.578865      2.909858
  C      -5.621339      1.582802      3.233816
  C      -6.575986      1.360860      2.042181
  C      -5.922539      0.658863      0.886299
  N      -5.566818      1.395213     -0.163047
  C      -4.928801      0.764434     -1.185330
  N      -4.602750     -0.509493     -1.273796
  C      -4.970350     -1.293513     -0.214559
  C      -4.666873     -2.677118     -0.244002
  C      -5.037076     -3.489068      0.807903
  C      -5.724946     -2.954673      1.922838
  C      -6.029543     -1.609668      1.977891
  C      -5.656255     -0.747820      0.915370
  C      -3.239852      6.996030      5.788837
  C      -2.715521      7.622077      4.485363
  C      -3.349655      7.038534      3.224279
  C      -4.809623      7.368908      3.033870
  N      -5.343584      8.319543      3.787960
  C      -6.671484      8.572101      3.635572
  N      -7.523963      7.964050      2.837451
  C      -6.994097      6.992183      2.032239
  C      -7.848035      6.288653      1.148064
  C      -7.333090      5.314690      0.316790
  C      -5.951141      5.015185      0.327673
  C      -5.100911      5.683628      1.186095
  C      -5.602407      6.671745      2.067216
  C      -6.205868      2.691564      7.388805
  C      -7.064000      3.904182      7.757765
  C      -8.527491      3.524055      7.988831
  C      -9.304708      3.151934      6.747995
  N      -8.738580      3.358173      5.568613
  C      -9.448786      3.037377      4.455546
  N     -10.658896      2.518072      4.393834
  C     -11.271705      2.295780      5.597905
  C     -12.577606      1.746655      5.613286
  C     -13.222317      1.524704      6.812792
  C     -12.590565      1.840292      8.038387
  C     -11.316403      2.372124      8.051617
  C     -10.627770      2.608827      6.835994
  H      -3.896170      2.205756      2.061531
  H      -4.965926      3.520609      2.591789
  H      -6.204404      1.992427      4.073362
  H      -5.197548      0.621277      3.563961
  H      -7.448511      0.784032      2.384748
  H      -6.940018      2.334848      1.685957
  H      -4.654149      1.403878     -2.030839
  H      -4.143494     -3.068363     -1.117522
  H      -4.804387     -4.555082      0.781165
  H      -6.017808     -3.613563      2.741754
  H      -6.564865     -1.208277      2.838755
  H      -4.328316      7.117001      5.831414
  H      -2.809523      7.560040      6.639431
  H      -1.622971      7.495160      4.424196
  H      -2.912158      8.703171      4.530853
  H      -2.800374      7.388289      2.332144
  H      -3.240166      5.941380      3.226626
  H      -7.071436      9.370861      4.269147
  H      -8.909295      6.541772      1.151376
  H      -7.994147      4.766585     -0.357133
  H      -5.567283      4.224203     -0.318042
  H      -4.038860      5.437216      1.199537
  H      -6.247651      1.957616      8.214234
  H      -6.660919      2.206590      6.509861
  H      -6.664344      4.371217      8.671799
  H      -6.992362      4.637367      6.942218
  H      -8.596823      2.692426      8.711976
  H      -9.058038      4.365250      8.468907
  H      -8.942374      3.237877      3.505009
  H     -13.046416      1.515135      4.655802
  H     -14.229461      1.104181      6.820349
  H     -13.116413      1.661138      8.977557
  H     -10.837447      2.614662      9.000902
  N      -5.524869      4.798521      4.936943
96
Coordinates from ORCA-job orca E -6203.181945167300
  N      -3.633128      2.863897      4.046817
  Mo     -4.156290      4.064243      5.548071
  N      -4.805119      2.995165      7.098534
  C      -3.827077      2.467759      8.049996
  C      -2.582732      1.944145      7.331941
  N      -2.083172      2.945843      6.382650
  C      -1.489161      2.389351      5.162426
  C      -2.579255      1.870995      4.228442
  C      -1.314206      4.031130      7.000581
  C      -1.512053      5.330815      6.227205
  N      -2.929128      5.580141      5.964840
  H      -2.117986      1.628264      3.252650
  H      -2.990598      0.917719      4.618541
  H      -0.951712      3.204280      4.655766
  H      -0.755531      1.589919      5.386735
  H      -1.089892      6.160818      6.823907
  H      -0.929516      5.305453      5.284943
  H      -1.702345      4.168803      8.020169
  H      -0.237553      3.781250      7.080957
  H      -4.266358      1.634992      8.625728
  H      -3.536448      3.238352      8.791358
  H      -2.864342      1.050461      6.757280
  H      -1.802670      1.646790      8.060887
  C      -4.505682      2.592592      2.907375
  C      -5.637113      1.608747      3.230575
  C      -6.585954      1.388351      2.033993
  C      -5.931026      0.675728      0.885420
  N      -5.563823      1.404015     -0.165559
  C      -4.924514      0.763462     -1.180883
  N      -4.606516     -0.513065     -1.260701
  C      -4.986286     -1.289058     -0.199809
  C      -4.692803     -2.674979     -0.220696
  C      -5.075815     -3.479215      0.832555
  C      -5.767023     -2.934403      1.940348
  C      -6.061913     -1.586914      1.987080
  C      -5.675353     -0.732794      0.923050
  C      -3.241817      6.998936      5.793470
  C      -2.710178      7.626159      4.493764
  C      -3.334936      7.040568      3.228978
  C      -4.793190      7.371138      3.027122
  N      -5.333750      8.319046      3.779885
  C      -6.659699      8.573905      3.614872
  N      -7.504117      7.972426      2.803337
  C      -6.967399      7.003018      1.999749
  C      -7.812436      6.307389      1.100852
  C      -7.290744      5.335361      0.271553
  C      -5.910382      5.030075      0.299100
  C      -5.068519      5.691408      1.171282
  C      -5.577194      6.677880      2.050360
  C      -6.208736      2.689860      7.389709
  C      -7.068810      3.901872      7.756017
  C      -8.530870      3.518921      7.991850
  C      -9.307052      3.133141      6.754754
  N      -8.744929      3.338913      5.573169
  C      -9.454070      3.004776      4.463494
  N     -10.658967      2.473033      4.406617
  C     -11.268093      2.252706      5.612684
  C     -12.569252      1.692691      5.633139
  C     -13.210469      1.472488      6.834762
  C     -12.579761      1.800723      8.057580
  C     -11.310086      2.343244      8.065908
  C     -10.625071      2.578768      6.847919
  H      -3.902445      2.212014      2.061440
  H      -4.960831      3.537937      2.586237
  H      -6.221674      2.030425      4.063018
  H      -5.224278      0.645739      3.569929
  H      -7.464952      0.819598      2.373733
  H      -6.940207      2.363584      1.670966
  H      -4.639610      1.396835     -2.027588
  H      -4.166771     -3.074197     -1.089007
  H      -4.850890     -4.547042      0.812306
  H      -6.070296     -3.587172      2.760381
  H      -6.600018     -1.177773      2.842528
  H      -4.330564      7.119514      5.829946
  H      -2.816213      7.561486      6.647478
  H      -1.616980      7.501904      4.439736
  H      -2.909688      8.706800      4.537589
  H      -2.779349      7.389292      2.340336
  H      -3.225235      5.943338      3.233574
  H      -7.065355      9.369790      4.248383
  H      -8.872618      6.564762      1.091688
  H      -7.945104      4.793425     -0.413805
  H      -5.521384      4.240287     -0.344882
  H      -4.007561      5.441079      1.196287
  H      -6.249770      1.957613      8.216696
  H      -6.662616      2.201935      6.511802
  H      -6.668166      4.373066      8.667408
  H      -7.000791      4.632291      6.937742
  H      -8.596581      2.693410      8.722053
  H      -9.063368      4.362862      8.464967
  H      -8.951280      3.203366      3.510994
  H     -13.037369      1.451489      4.677685
  H     -14.214027      1.043534      6.846200
  H     -13.102860      1.623016      8.998584
  H     -10.832318      2.595431      9.013184
  N      -5.529515      4.804079      4.940758
96
Coordinates from ORCA-job orca E -6203.181950988193
  N      -3.635340      2.874458      4.042401
  Mo     -4.156986      4.068878      5.548587
  N      -4.802563      2.993195      7.096140
  C      -3.822812      2.463387      8.044574
  C      -2.579001      1.943306      7.323069
  N      -2.081741      2.948547      6.376328
  C      -1.489750      2.396611      5.153091
  C      -2.581321      1.880930      4.219431
  C      -1.312374      4.032237      6.996437
  C      -1.512016      5.334333      6.227661
  N      -2.929572      5.583559      5.967961
  H      -2.121692      1.640811      3.242286
  H      -2.992273      0.926667      4.607604
  H      -0.953775      3.213557      4.648132
  H      -0.755296      1.596767      5.373164
  H      -1.089635      6.162655      6.826556
  H      -0.930851      5.312528      5.284472
  H      -1.698914      4.166401      8.017114
  H      -0.235444      3.782739      7.074344
  H      -4.260704      1.628361      8.618083
  H      -3.531921      3.231743      8.788149
  H      -2.860757      1.051364      6.745776
  H      -1.797600      1.644089      8.049809
  C      -4.510864      2.606195      2.904317
  C      -5.648993      1.631436      3.231578
  C      -6.596534      1.408852      2.034403
  C      -5.943588      0.685162      0.891668
  N      -5.570028      1.404813     -0.163011
  C      -4.931811      0.754390     -1.172731
  N      -4.620637     -0.524315     -1.243839
  C      -5.007192     -1.291579     -0.179037
  C      -4.721250     -2.679191     -0.190570
  C      -5.111219     -3.474773      0.866682
  C      -5.802021     -2.919260      1.969398
  C      -6.089480     -1.569875      2.007108
  C      -5.695789     -0.724505      0.938708
  C      -3.243441      7.002677      5.800928
  C      -2.709980      7.634359      4.504232
  C      -3.327887      7.047128      3.236858
  C      -4.786489      7.372424      3.029394
  N      -5.335251      8.313784      3.784391
  C      -6.661239      8.564251      3.613058
  N      -7.498261      7.964994      2.792272
  C      -6.953118      7.002069      1.986605
  C      -7.789832      6.309514      1.077579
  C      -7.259792      5.343616      0.246400
  C      -5.878943      5.041722      0.282173
  C      -5.044954      5.700208      1.164067
  C      -5.562256      6.680765      2.044870
  C      -6.205432      2.684209      7.387179
  C      -7.067846      3.893695      7.756216
  C      -8.529488      3.508024      7.990156
  C      -9.303154      3.120384      6.752078
  N      -8.741916      3.331674      5.570916
  C      -9.449332      2.995808      4.460691
  N     -10.651406      2.457960      4.402502
  C     -11.259724      2.232394      5.607906
  C     -12.558271      1.666312      5.626973
  C     -13.198793      1.441077      6.827976
  C     -12.569980      1.770046      8.051577
  C     -11.302766      2.318257      8.061281
  C     -10.618485      2.559214      6.843863
  H      -3.911064      2.219020      2.059065
  H      -4.959672      3.553717      2.580716
  H      -6.232684      2.063054      4.059508
  H      -5.242519      0.668504      3.578740
  H      -7.479584      0.847445      2.375951
  H      -6.944069      2.383927      1.664333
  H      -4.641944      1.380767     -2.022969
  H      -4.195404     -3.086658     -1.055161
  H      -4.892153     -4.543932      0.853571
  H      -6.110947     -3.565186      2.792734
  H      -6.627312     -1.152608      2.858795
  H      -4.332462      7.121204      5.834976
  H      -2.820758      7.563029      6.657874
  H      -1.616037      7.515558      4.453703
  H      -2.915008      8.713927      4.548821
  H      -2.770358      7.398169      2.350341
  H      -3.214211      5.950239      3.241286
  H      -7.074050      9.353979      4.249625
  H      -8.850583      6.564210      1.062367
  H      -7.907777      4.804000     -0.446785
  H      -5.483479      4.256490     -0.363339
  H      -3.983513      5.452464      1.194874
  H      -6.245198      1.950029      8.212506
  H      -6.658221      2.197350      6.508174
  H      -6.668288      4.363045      8.669014
  H      -7.000744      4.626672      6.940176
  H      -8.595137      2.683159      8.720955
  H      -9.064142      4.351681      8.461418
  H      -8.948110      3.199451      3.508557
  H     -13.025079      1.424671      4.670983
  H     -14.200402      1.007545      6.838355
  H     -13.092621      1.588503      8.992111
  H     -10.826591      2.571001      9.009174
  N      -5.531400      4.809749      4.945013
96
Coordinates from ORCA-job orca E -6203.181958542130
  N      -3.637080      2.891580      4.038010
  Mo     -4.156417      4.077182      5.551389
  N      -4.796931      2.991794      7.094612
  C      -3.814460      2.459439      8.038805
  C      -2.571285      1.944690      7.312325
  N      -2.077815      2.954754      6.368779
  C      -1.489017      2.409158      5.141116
  C      -2.582783      1.897248      4.207974
  C      -1.307692      4.036383      6.991452
  C      -1.510438      5.341746      6.229095
  N      -2.928836      5.590428      5.973763
  H      -2.125546      1.661143      3.228807
  H      -2.992958      0.941358      4.593189
  H      -0.955366      3.229030      4.638442
  H      -0.753204      1.608885      5.355004
  H      -1.087624      6.167857      6.830743
  H      -0.931731      5.324962      5.284303
  H      -1.691475      4.165709      8.013828
  H      -0.230318      3.787527      7.065370
  H      -4.249905      1.621111      8.609344
  H      -3.523368      3.224914      8.785259
  H      -2.852834      1.054845      6.731701
  H      -1.787749      1.643505      8.035939
  C      -4.517785      2.628244      2.902407
  C      -5.667562      1.669603      3.236640
  C      -6.613770      1.444980      2.038901
  C      -5.964919      0.704848      0.904597
  N      -5.580116      1.412464     -0.154164
  C      -4.944830      0.747687     -1.156330
  N      -4.646448     -0.534610     -1.216378
  C      -5.045048     -1.289666     -0.147251
  C      -4.773570     -2.680225     -0.147114
  C      -5.176071     -3.463678      0.914471
  C      -5.865299     -2.892588      2.010190
  C      -6.138656     -1.539992      2.036630
  C      -5.732027     -0.706915      0.963448
  C      -3.245252      7.009706      5.812269
  C      -2.710714      7.648009      4.519190
  C      -3.316653      7.056526      3.247900
  C      -4.776718      7.368846      3.031239
  N      -5.342741      8.295623      3.791427
  C      -6.669985      8.532786      3.611092
  N      -7.492595      7.934340      2.775274
  C      -6.929418      6.986922      1.963701
  C      -7.749756      6.296793      1.038015
  C      -7.201508      5.346825      0.200284
  C      -5.817999      5.059139      0.246205
  C      -4.999710      5.714825      1.144819
  C      -5.535838      6.679517      2.032088
  C      -6.198556      2.675500      7.384546
  C      -7.066695      3.879955      7.756546
  C      -8.527351      3.488616      7.986945
  C      -9.297920      3.099215      6.747392
  N      -8.739265      3.320195      5.566679
  C      -9.445645      2.984595      4.455690
  N     -10.643375      2.437436      4.395990
  C     -11.248879      2.201545      5.600769
  C     -12.543200      1.625812      5.618275
  C     -13.181280      1.391133      6.818707
  C     -12.554173      1.719698      8.043291
  C     -11.290931      2.276962      8.054522
  C     -10.609140      2.527842      6.837628
  H      -3.924214      2.229011      2.058578
  H      -4.955039      3.579471      2.573851
  H      -6.248881      2.117114      4.057742
  H      -5.271875      0.706511      3.595695
  H      -7.503689      0.896085      2.383040
  H      -6.949601      2.420191      1.658390
  H      -4.645531      1.364383     -2.010394
  H      -4.248688     -3.099692     -1.006541
  H      -4.968216     -4.535146      0.910267
  H      -6.184323     -3.528898      2.837152
  H      -6.675344     -1.110825      2.883122
  H      -4.334652      7.124728      5.843496
  H      -2.826469      7.567551      6.672785
  H      -1.615437      7.540114      4.473939
  H      -2.926512      8.725467      4.564322
  H      -2.756967      7.412243      2.364627
  H      -3.193935      5.960515      3.252367
  H      -7.097675      9.309623      4.253657
  H      -8.812895      6.540739      1.015309
  H      -7.836806      4.809025     -0.505886
  H      -5.408145      4.286650     -0.405567
  H      -3.936175      5.477223      1.183351
  H      -6.235512      1.938909      8.207807
  H      -6.648534      2.188991      6.503943
  H      -6.670123      4.347274      8.671713
  H      -7.001174      4.616786      6.943848
  H      -8.592637      2.664309      8.718237
  H      -9.066047      4.331106      8.455843
  H      -8.947661      3.197435      3.503901
  H     -13.009055      1.384800      4.661660
  H     -14.179741      0.950345      6.827905
  H     -13.074995      1.530729      8.983373
  H     -10.816024      2.529224      9.003147
  N      -5.532498      4.819464      4.952985
96
Coordinates from ORCA-job orca E -6203.181963263554
  N      -3.637762      2.900312      4.033458
  Mo     -4.156754      4.079051      5.552172
  N      -4.793460      2.986652      7.091997
  C      -3.808841      2.452244      8.032761
  C      -2.565720      1.942378      7.302656
  N      -2.075360      2.956936      6.362313
  C      -1.487535      2.417075      5.131614
  C      -2.581787      1.906979      4.198100
  C      -1.305890      4.037422      6.987837
  C      -1.511666      5.345249      6.230438
  N      -2.930752      5.592579      5.977862
  H      -2.125425      1.675220      3.217494
  H      -2.989964      0.948918      4.580219
  H      -0.956165      3.239858      4.631259
  H      -0.749938      1.617315      5.341229
  H      -1.089272      6.169887      6.834409
  H      -0.934322      5.332769      5.284735
  H      -1.688361      4.162514      8.011246
  H      -0.228063      3.789808      7.059236
  H      -4.242145      1.611165      8.600848
  H      -3.517676      3.215418      8.781524
  H      -2.846194      1.054122      6.719079
  H      -1.780691      1.640072      8.024183
  C      -4.521239      2.639047      2.899330
  C      -5.674420      1.685519      3.236685
  C      -6.619470      1.457321      2.038726
  C      -5.970928      0.709847      0.909202
  N      -5.581365      1.411825     -0.151567
  C      -4.946346      0.740768     -1.149682
  N      -4.652437     -0.542826     -1.204001
  C      -5.056024     -1.292126     -0.132692
  C      -4.789644     -2.683645     -0.126405
  C      -5.197171     -3.461335      0.937504
  C      -5.886403     -2.883296      2.029571
  C      -6.154885     -1.529611      2.050028
  C      -5.743186     -0.702442      0.974260
  C      -3.249984      7.011655      5.820237
  C      -2.717689      7.654913      4.528550
  C      -3.317171      7.061275      3.255186
  C      -4.778933      7.362836      3.035146
  N      -5.356615      8.278431      3.800034
  C      -6.685717      8.503126      3.617434
  N      -7.499629      7.902180      2.774897
  C      -6.924034      6.967427      1.957391
  C      -7.734195      6.276360      1.023443
  C      -7.173075      5.340429      0.178484
  C      -5.786520      5.067990      0.225649
  C      -4.978138      5.723628      1.133207
  C      -5.527520      6.674351      2.027513
  C      -6.194412      2.667705      7.382645
  C      -7.062887      3.870028      7.760601
  C      -8.523387      3.477840      7.989359
  C      -9.295577      3.097173      6.748078
  N      -8.739592      3.328547      5.568136
  C      -9.448637      3.003115      4.455757
  N     -10.646146      2.455716      4.393977
  C     -11.248534      2.208212      5.598049
  C     -12.542248      1.631056      5.613385
  C     -13.177517      1.385530      6.813154
  C     -12.548093      1.704162      8.039154
  C     -11.285336      2.262481      8.052443
  C     -10.606326      2.524226      6.836293
  H      -3.930556      2.235425      2.055669
  H      -4.954554      3.591565      2.568997
  H      -6.255720      2.138606      4.054681
  H      -5.281369      0.723316      3.601134
  H      -7.511694      0.913155      2.384373
  H      -6.951399      2.431554      1.652310
  H      -4.642950      1.352926     -2.005577
  H      -4.264561     -3.108521     -0.983049
  H      -4.993271     -4.533569      0.938032
  H      -6.209303     -3.515065      2.858509
  H      -6.691482     -1.095001      2.893813
  H      -4.339559      7.124205      5.851968
  H      -2.831955      7.568104      6.682001
  H      -1.621592      7.554866      4.484845
  H      -2.940989      8.730837      4.575098
  H      -2.757797      7.421327      2.373520
  H      -3.187293      5.966017      3.258674
  H      -7.123303      9.270805      4.264330
  H      -8.799896      6.508805      0.999914
  H      -7.800342      4.801905     -0.534244
  H      -5.366351      4.307371     -0.433321
  H      -3.912302      5.496802      1.173273
  H      -6.229335      1.928117      8.203262
  H      -6.645316      2.184021      6.500882
  H      -6.666164      4.332690      8.678105
  H      -6.997365      4.611210      6.951844
  H      -8.589201      2.649638      8.716144
  H      -9.061573      4.318150      8.462844
  H      -8.953449      3.225939      3.504719
  H     -13.010141      1.397953      4.655814
  H     -14.175574      0.943799      6.820688
  H     -13.066728      1.506612      8.978675
  H     -10.808437      2.506951      9.002118
  N      -5.534606      4.821322      4.957572
96
Coordinates from ORCA-job orca E -6203.181968098524
  N      -3.638513      2.905996      4.031800
  Mo     -4.156787      4.080596      5.553997
  N      -4.791520      2.984380      7.091734
  C      -3.805614      2.449048      8.030521
  C      -2.562727      1.941615      7.298148
  N      -2.074110      2.958590      6.359490
  C      -1.486948      2.421897      5.126981
  C      -2.581475      1.913266      4.192878
  C      -1.304618      4.038198      6.986647
  C      -1.512159      5.347587      6.232316
  N      -2.931630      5.594396      5.981786
  H      -2.125400      1.684724      3.211351
  H      -2.988303      0.953551      4.572459
  H      -0.956618      3.246304      4.628144
  H      -0.748450      1.622310      5.334131
  H      -1.089644      6.171213      6.837597
  H      -0.935829      5.337596      5.285940
  H      -1.686082      4.160847      8.010731
  H      -0.226593      3.790994      7.056248
  H      -4.237566      1.606570      8.597544
  H      -3.514013      3.211101      8.780255
  H      -2.842640      1.054177      6.713068
  H      -1.776819      1.638810      8.018507
  C      -4.523863      2.646312      2.898684
  C      -5.678033      1.694565      3.237823
  C      -6.623695      1.464652      2.040646
  C      -5.976270      0.713602      0.912907
  N      -5.584483      1.412996     -0.148771
  C      -4.950811      0.738889     -1.145648
  N      -4.660526     -0.545637     -1.198188
  C      -5.066369     -1.292237     -0.125872
  C      -4.803858     -2.684460     -0.117502
  C      -5.213481     -3.459396      0.947625
  C      -5.900931     -2.877801      2.038929
  C      -6.165776     -1.523362      2.057320
  C      -5.752019     -0.699079      0.980181
  C      -3.252120      7.013342      5.826194
  C      -2.722395      7.659478      4.534706
  C      -3.317639      7.064989      3.259841
  C      -4.780614      7.358587      3.037602
  N      -5.367065      8.265178      3.806461
  C      -6.697886      8.479176      3.623459
  N      -7.505616      7.874794      2.777389
  C      -6.920369      6.951133      1.954158
  C      -7.722977      6.258708      1.014648
  C      -7.151484      5.336205      0.161949
  C      -5.762023      5.078546      0.207312
  C      -4.961129      5.734137      1.121430
  C      -5.521216      6.671401      2.023269
  C      -6.192132      2.664550      7.383042
  C      -7.060925      3.866478      7.761193
  C      -8.520971      3.473508      7.989865
  C      -9.293265      3.094359      6.748207
  N      -8.736434      3.325540      5.568762
  C      -9.445198      3.001878      4.455609
  N     -10.643199      2.455541      4.393077
  C     -11.245953      2.206901      5.596889
  C     -12.539535      1.629419      5.611311
  C     -13.175279      1.382965      6.810718
  C     -12.546399      1.700868      8.037162
  C     -11.283708      2.259351      8.051298
  C     -10.604198      2.521775      6.835656
  H      -3.935194      2.240948      2.054505
  H      -4.955510      3.599615      2.568096
  H      -6.258928      2.148873      4.055367
  H      -5.285178      0.732714      3.603602
  H      -7.516744      0.922990      2.387945
  H      -6.954040      2.438308      1.651494
  H      -4.645392      1.348972     -2.002306
  H      -4.279939     -3.112144     -0.973461
  H      -5.012570     -4.532188      0.949779
  H      -6.225294     -3.507421      2.868930
  H      -6.700860     -1.085779      2.900533
  H      -4.341615      7.125544      5.859864
  H      -2.832541      7.568927      6.687731
  H      -1.625771      7.564607      4.491460
  H      -2.950382      8.734444      4.582520
  H      -2.758323      7.428113      2.379481
  H      -3.183012      5.970236      3.262367
  H      -7.142878      9.239811      4.273623
  H      -8.791071      6.480120      0.992529
  H      -7.772633      4.796781     -0.555397
  H      -5.333399      4.329969     -0.459803
  H      -3.893136      5.517625      1.160925
  H      -6.225782      1.925153      8.203857
  H      -6.643530      2.180321      6.501670
  H      -6.664488      4.329387      8.678763
  H      -6.995433      4.607545      6.952323
  H      -8.586511      2.644669      8.715984
  H      -9.059700      4.313177      8.463982
  H      -8.949239      3.225399      3.504950
  H     -13.007048      1.396834      4.653442
  H     -14.173242      0.941041      6.817513
  H     -13.065347      1.502459      8.976314
  H     -10.807049      2.503325      9.001262
  N      -5.535621      4.823221      4.961989
96
Coordinates from ORCA-job orca E -6203.181969636714
  N      -3.639194      2.907418      4.029355
  Mo     -4.157906      4.080587      5.552785
  N      -4.793595      2.983256      7.089206
  C      -3.807941      2.446599      8.027443
  C      -2.564955      1.939805      7.294799
  N      -2.075828      2.958014      6.357729
  C      -1.487817      2.422799      5.124981
  C      -2.581682      1.915071      4.189606
  C      -1.306632      4.036778      6.986763
  C      -1.513857      5.347117      6.233977
  N      -2.933176      5.594352      5.983155
  H      -2.124835      1.688412      3.207972
  H      -2.988010      0.954428      4.567359
  H      -0.957206      3.247820      4.627459
  H      -0.749339      1.623096      5.331722
  H      -1.091494      6.169937      6.840476
  H      -0.937013      5.338250      5.287888
  H      -1.688650      4.158161      8.010778
  H      -0.228680      3.789373      7.056514
  H      -4.240034      1.603532      8.593496
  H      -3.516196      3.207750      8.778049
  H      -2.844710      1.053173      6.708436
  H      -1.779406      1.636049      8.015151
  C      -4.523672      2.648119      2.895525
  C      -5.674863      1.692125      3.232835
  C      -6.620020      1.460432      2.035484
  C      -5.970947      0.709918      0.908251
  N      -5.579288      1.409206     -0.153550
  C      -4.944781      0.735261     -1.149989
  N      -4.653712     -0.549138     -1.202129
  C      -5.059146     -1.295596     -0.129603
  C      -4.795716     -2.687643     -0.120708
  C      -5.204741     -3.462424      0.944775
  C      -5.892511     -2.880877      2.035897
  C      -6.158395     -1.526638      2.053694
  C      -5.745319     -0.702516      0.976154
  C      -3.252925      7.013448      5.828337
  C      -2.723557      7.660169      4.536995
  C      -3.317564      7.066513      3.261355
  C      -4.780697      7.358570      3.038664
  N      -5.368704      8.263636      3.808083
  C      -6.700179      8.474459      3.626136
  N      -7.507206      7.867377      2.781309
  C      -6.919998      6.946396      1.956494
  C      -7.721445      6.252471      1.017054
  C      -7.147589      5.333913      0.161739
  C      -5.757042      5.081566      0.204535
  C      -4.957372      5.737936      1.119080
  C      -5.519943      6.671154      2.023520
  C      -6.194350      2.664571      7.381146
  C      -7.062375      3.867128      7.759200
  C      -8.521888      3.473996      7.991453
  C      -9.297780      3.096360      6.751520
  N      -8.743282      3.326838      5.570911
  C      -9.455116      3.005158      4.459116
  N     -10.654413      2.461352      4.399170
  C     -11.254830      2.213457      5.604337
  C     -12.549496      1.638519      5.621500
  C     -13.182922      1.392603      6.822294
  C     -12.550579      1.708787      8.047385
  C     -11.286852      2.264998      8.058802
  C     -10.609672      2.526632      6.841774
  H      -3.933958      2.246168      2.050421
  H      -4.957948      3.600957      2.567003
  H      -6.257213      2.142684      4.051395
  H      -5.278855      0.730824      3.596656
  H      -7.512021      0.917121      2.382819
  H      -6.952305      2.433276      1.645950
  H      -4.639231      1.345277     -2.006639
  H      -4.271480     -3.115361     -0.976450
  H      -5.003118     -4.535082      0.947350
  H      -6.216254     -3.510427      2.866197
  H      -6.693702     -1.088946      2.896699
  H      -4.342246      7.127118      5.863245
  H      -2.831506      7.568296      6.689468
  H      -1.626851      7.565619      4.494010
  H      -2.951631      8.735133      4.585545
  H      -2.757679      7.430588      2.381792
  H      -3.182386      5.971765      3.263141
  H      -7.146403      9.234434      4.276212
  H      -8.790386      6.469937      0.996838
  H      -7.767650      4.793479     -0.555781
  H      -5.326320      4.337135     -0.465805
  H      -3.888577      5.525131      1.156983
  H      -6.227589      1.925743      8.202514
  H      -6.646742      2.179863      6.500527
  H      -6.664338      4.331415      8.675361
  H      -6.998260      4.606692      6.948880
  H      -8.584880      2.643863      8.716381
  H      -9.059261      4.312652      8.468861
  H      -8.960446      3.227581      3.507551
  H     -13.019640      1.407266      4.664597
  H     -14.181667      0.952498      6.831184
  H     -13.067662      1.510790      8.987655
  H     -10.807486      2.507698      9.007749
  N      -5.536568      4.824019      4.961493
96
Coordinates from ORCA-job orca E -6203.181971592066
  N      -3.641691      2.914284      4.027621
  Mo     -4.158421      4.084242      5.554181
  N      -4.792101      2.983528      7.089095
  C      -3.805102      2.445211      8.024985
  C      -2.562950      1.940189      7.289751
  N      -2.075202      2.960367      6.354070
  C      -1.488872      2.427583      5.119468
  C      -2.583996      1.921624      4.184597
  C      -1.305270      4.037963      6.984233
  C      -1.513634      5.349832      6.234426
  N      -2.933275      5.597349      5.985799
  H      -2.128376      1.697004      3.201937
  H      -2.989751      0.960192      4.560939
  H      -0.958959      3.253565      4.622819
  H      -0.750101      1.627485      5.323585
  H      -1.090677      6.171455      6.842151
  H      -0.937919      5.343032      5.287632
  H      -1.685909      4.157255      8.009006
  H      -0.227200      3.790537      7.052038
  H      -4.236175      1.600844      8.589885
  H      -3.512656      3.204925      8.776778
  H      -2.843410      1.054797      6.701864
  H      -1.776440      1.635021      8.008451
  C      -4.527787      2.657188      2.894529
  C      -5.680680      1.703694      3.233064
  C      -6.625670      1.471032      2.035730
  C      -5.977747      0.715202      0.911365
  N      -5.582693      1.410122     -0.152020
  C      -4.949567      0.731288     -1.145940
  N      -4.662770     -0.554237     -1.194247
  C      -5.071662     -1.296301     -0.119982
  C      -4.813034     -2.689224     -0.107017
  C      -5.225591     -3.459662      0.960250
  C      -5.912254     -2.872735      2.049186
  C      -6.173529     -1.517559      2.062995
  C      -5.756789     -0.697794      0.983510
  C      -3.253234      7.016578      5.833287
  C      -2.723723      7.665190      4.543010
  C      -3.313582      7.070383      3.266064
  C      -4.777074      7.357942      3.040375
  N      -5.370455      8.258553      3.810824
  C      -6.702392      8.464359      3.626455
  N      -7.504955      7.856325      2.778049
  C      -6.911984      6.940571      1.951578
  C      -7.708152      6.247058      1.007302
  C      -7.128307      5.334453      0.149666
  C      -5.736851      5.087698      0.195033
  C      -4.942244      5.743334      1.114533
  C      -5.511041      6.670635      2.021240
  C      -6.192252      2.662789      7.381633
  C      -7.062324      3.864288      7.758350
  C      -8.521260      3.468651      7.990337
  C      -9.295421      3.088502      6.750117
  N      -8.740108      3.318862      5.569819
  C      -9.450182      2.994643      4.457657
  N     -10.648467      2.448744      4.396988
  C     -11.249767      2.201223      5.601731
  C     -12.543591      1.624419      5.618048
  C     -13.177870      1.378511      6.818389
  C     -12.547225      1.696675      8.043846
  C     -11.284371      2.254854      8.056076
  C     -10.606389      2.516614      6.839532
  H      -3.939842      2.254323      2.048673
  H      -4.960442      3.610997      2.566845
  H      -6.262596      2.156956      4.050430
  H      -5.286377      0.742464      3.598867
  H      -7.519264      0.930981      2.384047
  H      -6.955156      2.443566      1.642940
  H      -4.640868      1.337955     -2.003840
  H      -4.289551     -3.121118     -0.961123
  H      -5.027681     -4.533001      0.965928
  H      -6.238818     -3.498871      2.880964
  H      -6.708036     -1.075722      2.904335
  H      -4.342564      7.130212      5.868299
  H      -2.831656      7.570288      6.695124
  H      -1.626675      7.573688      4.501735
  H      -2.954697      8.739538      4.591740
  H      -2.752759      7.436242      2.387857
  H      -3.175532      5.975919      3.267722
  H      -7.153235      9.220714      4.277540
  H      -8.777905      6.460278      0.985150
  H      -7.744219      4.794499     -0.571777
  H      -5.301242      4.348353     -0.477748
  H      -3.872697      5.534615      1.154337
  H      -6.224253      1.924706      8.203721
  H      -6.643910      2.176385      6.501559
  H      -6.665375      4.330190      8.674122
  H      -6.999251      4.602925      6.947140
  H      -8.582741      2.638728      8.715630
  H      -9.060340      4.306507      8.467182
  H      -8.954863      3.216656      3.506445
  H     -13.012360      1.391676      4.660827
  H     -14.175948      0.936878      6.826632
  H     -13.064949      1.498688      8.983773
  H     -10.806444      2.499112      9.005338
  N      -5.537973      4.828735      4.966364
96
Coordinates from ORCA-job orca E -6203.181971977925
  N      -3.643247      2.915061      4.027939
  Mo     -4.159191      4.084666      5.555089
  N      -4.791940      2.983507      7.090140
  C      -3.804195      2.444484      8.024913
  C      -2.562496      1.940088      7.288569
  N      -2.075313      2.960867      6.353249
  C      -1.489472      2.428770      5.118153
  C      -2.584993      1.922794      4.183743
  C      -1.305398      4.038343      6.983574
  C      -1.514258      5.350507      6.234441
  N      -2.934036      5.597923      5.986329
  H      -2.129972      1.698920      3.200638
  H      -2.990044      0.961005      4.559872
  H      -0.960038      3.255086      4.621553
  H      -0.750396      1.628760      5.321533
  H      -1.091295      6.171914      6.842460
  H      -0.938798      5.344255      5.287493
  H      -1.685654      4.157090      8.008558
  H      -0.227243      3.791150      7.050872
  H      -4.234749      1.599588      8.589422
  H      -3.511480      3.203628      8.777181
  H      -2.843505      1.055224      6.700152
  H      -1.775544      1.634254      8.006498
  C      -4.529514      2.658432      2.894902
  C      -5.680661      1.702551      3.232574
  C      -6.625744      1.469864      2.035345
  C      -5.977802      0.714119      0.910951
  N      -5.582511      1.408942     -0.152392
  C      -4.949258      0.729968     -1.146153
  N      -4.662745     -0.555613     -1.194422
  C      -5.071845     -1.297581     -0.120178
  C      -4.813360     -2.690539     -0.107139
  C      -5.226064     -3.460904      0.960104
  C      -5.912772     -2.873870      2.048964
  C      -6.173886     -1.518670      2.062704
  C      -5.756956     -0.698929      0.983237
  C      -3.253859      7.017198      5.834102
  C      -2.723885      7.665833      4.544047
  C      -3.313131      7.070828      3.266909
  C      -4.776400      7.359063      3.040447
  N      -5.369364      8.260682      3.810035
  C      -6.700986      8.467744      3.624725
  N      -7.503633      7.860083      2.776134
  C      -6.911146      6.943099      1.950712
  C      -7.707450      6.249877      1.006309
  C      -7.128115      5.335853      0.149827
  C      -5.737048      5.087395      0.196452
  C      -4.942267      5.742862      1.115935
  C      -5.510533      6.671583      2.021505
  C      -6.191814      2.662475      7.383748
  C      -7.062420      3.864008      7.759043
  C      -8.521298      3.467785      7.990821
  C      -9.294770      3.087057      6.750377
  N      -8.738294      3.315459      5.570187
  C      -9.447635      2.989875      4.457975
  N     -10.646313      2.444851      4.397048
  C     -11.248806      2.199497      5.601595
  C     -12.543134      1.623784      5.617728
  C     -13.178414      1.379794      6.817914
  C     -12.548309      1.698835      8.043434
  C     -11.285000      2.255977      8.055868
  C     -10.606063      2.515932      6.839449
  H      -3.941342      2.258375      2.047860
  H      -4.964037      3.612111      2.569456
  H      -6.262820      2.153946      4.050815
  H      -5.284864      0.741396      3.596918
  H      -7.519045      0.929322      2.383684
  H      -6.955679      2.442332      1.642738
  H      -4.640559      1.336484     -2.004158
  H      -4.289866     -3.122507     -0.961202
  H      -5.028247     -4.534261      0.965819
  H      -6.239509     -3.499948      2.880716
  H      -6.708478     -1.076773      2.903951
  H      -4.343185      7.130961      5.868983
  H      -2.832306      7.570802      6.696058
  H      -1.626819      7.574295      4.503305
  H      -2.954810      8.740181      4.592480
  H      -2.751642      7.436551      2.389058
  H      -3.175414      5.976316      3.268694
  H      -7.151531      9.224751      4.275248
  H      -8.776920      6.464396      0.983178
  H      -7.744131      4.796108     -0.571687
  H      -5.301837      4.346624     -0.475034
  H      -3.873008      5.532836      1.156578
  H      -6.223357      1.925421      8.206754
  H      -6.643522      2.174770      6.504394
  H      -6.665889      4.331052      8.674380
  H      -6.999589      4.601685      6.946952
  H      -8.582386      2.637597      8.715903
  H      -9.060709      4.305181      8.467982
  H      -8.951486      3.210290      3.506845
  H     -13.011365      1.390272      4.660428
  H     -14.176859      0.938988      6.826013
  H     -13.066812      1.502399      8.983257
  H     -10.807582      2.500954      9.005191
  N      -5.539233      4.829233      4.968697
