98
Coordinates from ORCA-job orca E -6204.092685511050
  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
  H      -1.333425      3.585111      3.466909
  H      -2.638743      3.359435      2.461109
98
Coordinates from ORCA-job orca E -6204.110227892279
  N      -2.933374      1.384672      5.207273
  Mo     -3.615880      3.319402      5.147006
  N      -4.483800      3.050106      6.897154
  C      -3.610703      3.123151      8.059946
  C      -2.238980      2.554411      7.691543
  N      -1.763685      3.170934      6.424264
  C      -0.786307      2.296200      5.734144
  C      -1.532909      1.156147      4.998244
  C      -1.203871      4.525020      6.673918
  C      -1.725713      5.464207      5.584443
  N      -3.145142      5.199279      5.457864
  H      -1.274045      1.174996      3.921857
  H      -1.239419      0.169861      5.396289
  H      -0.247396      2.905521      5.001312
  H      -0.058586      1.903833      6.459986
  H      -1.515170      6.507149      5.857911
  H      -1.218732      5.254934      4.626491
  H      -1.578917      4.885711      7.639780
  H      -0.105625      4.500422      6.710627
  H      -4.011826      2.538696      8.903854
  H      -3.514041      4.171366      8.405064
  H      -2.349210      1.478963      7.520588
  H      -1.507748      2.721336      8.497314
  C      -3.910084      1.066511      4.249941
  C      -4.878496     -0.077805      4.586536
  C      -6.283437      0.197046      4.006469
  C      -6.221159      0.618197      2.563090
  N      -6.095660      1.933021      2.346312
  C      -5.991160      2.346873      1.064872
  N      -6.015545      1.606864     -0.020037
  C      -6.148180      0.259325      0.165104
  C      -6.176250     -0.589855     -0.960010
  C      -6.290341     -1.955378     -0.791848
  C      -6.377114     -2.513034      0.499067
  C      -6.356260     -1.707172      1.617707
  C      -6.247111     -0.301956      1.481961
  C      -4.019038      6.277503      5.876194
  C      -3.953718      7.509289      4.954486
  C      -4.217095      7.184151      3.479867
  C      -5.623802      6.747291      3.155580
  N      -6.550905      6.823270      4.111155
  C      -7.782064      6.359293      3.825328
  N      -8.202248      5.822317      2.699224
  C      -7.302757      5.803553      1.672197
  C      -7.709829      5.322324      0.410042
  C      -6.822385      5.321984     -0.648951
  C      -5.504130      5.784653     -0.476405
  C      -5.074798      6.248691      0.751642
  C      -5.962244      6.275895      1.852476
  C      -5.867120      2.744552      7.196588
  C      -6.729509      3.967461      7.569440
  C      -8.222408      3.632585      7.602368
  C      -8.847458      3.339477      6.257841
  N      -8.091006      3.413100      5.172024
  C      -8.653552      3.118605      3.974107
  N      -9.886134      2.724482      3.758358
  C     -10.707061      2.665901      4.847520
  C     -12.057544      2.285640      4.674969
  C     -12.903692      2.231714      5.761023
  C     -12.434872      2.550368      7.052999
  C     -11.122017      2.917539      7.252246
  C     -10.226549      2.983600      6.157580
  H      -3.525079      0.960087      3.217228
  H      -4.589323      2.000565      4.296383
  H      -4.949720     -0.181327      5.677142
  H      -4.474250     -1.012171      4.174721
  H      -6.918587     -0.689047      4.126361
  H      -6.744062      1.022993      4.565089
  H      -5.878000      3.424851      0.923108
  H      -6.103730     -0.135414     -1.946528
  H      -6.312955     -2.608384     -1.663147
  H      -6.463797     -3.592638      0.614322
  H      -6.425968     -2.150979      2.609717
  H      -5.052336      5.909438      5.869543
  H      -3.776585      6.604139      6.906614
  H      -2.961445      7.974611      5.028637
  H      -4.698200      8.231693      5.311170
  H      -3.988444      8.072812      2.870674
  H      -3.522615      6.391717      3.156524
  H      -8.515696      6.427847      4.634440
  H      -8.733017      4.966092      0.300956
  H      -7.142995      4.955701     -1.623074
  H      -4.815954      5.775028     -1.320574
  H      -4.053233      6.606351      0.871442
  H      -5.926438      2.011428      8.023376
  H      -6.321307      2.285357      6.308470
  H      -6.427782      4.341212      8.557735
  H      -6.548387      4.763704      6.836268
  H      -8.390820      2.762259      8.256577
  H      -8.769636      4.475523      8.051305
  H      -7.994212      3.200212      3.110353
  H     -12.394996      2.050483      3.666810
  H     -13.945342      1.943784      5.624419
  H     -13.120199      2.504760      7.898360
  H     -10.768596      3.163782      8.252331
  N      -2.406415      3.464506      3.412308
  H      -1.400390      3.617025      3.387861
  H      -2.737146      3.387568      2.448613
98
Coordinates from ORCA-job orca E -6204.117406785120
  N      -2.909286      1.331039      5.237172
  Mo     -3.574682      3.279782      5.152546
  N      -4.454113      3.062636      6.914418
  C      -3.569186      3.148176      8.076691
  C      -2.211430      2.549673      7.712732
  N      -1.728250      3.140821      6.420296
  C      -0.754053      2.243758      5.734883
  C      -1.509147      1.099671      5.018386
  C      -1.156685      4.507513      6.647358
  C      -1.677877      5.436818      5.557907
  N      -3.098737      5.162341      5.453570
  H      -1.253390      1.109094      3.940758
  H      -1.221742      0.115234      5.428482
  H      -0.210676      2.845828      4.996571
  H      -0.026394      1.866128      6.470480
  H      -1.470220      6.483442      5.827343
  H      -1.181959      5.232648      4.590594
  H      -1.527245      4.872445      7.615271
  H      -0.056776      4.465608      6.685818
  H      -3.976855      2.587784      8.935158
  H      -3.454604      4.201933      8.402730
  H      -2.328554      1.471184      7.560678
  H      -1.465404      2.726477      8.505172
  C      -3.896058      1.000396      4.282606
  C      -4.878464     -0.129185      4.639348
  C      -6.279095      0.145606      4.044609
  C      -6.188256      0.549422      2.597945
  N      -6.021373      1.852091      2.368410
  C      -5.861912      2.247787      1.075584
  N      -5.875686      1.487960     -0.004402
  C      -6.056504      0.148124      0.201982
  C      -6.077289     -0.726723     -0.912101
  C      -6.235198     -2.085509     -0.720763
  C      -6.375287     -2.620138      0.583849
  C      -6.363298     -1.791200      1.688206
  C      -6.210110     -0.389059      1.525937
  C      -4.002063      6.213567      5.899343
  C      -3.981918      7.449497      4.984720
  C      -4.287433      7.162768      3.511261
  C      -5.705655      6.740474      3.214016
  N      -6.592335      6.769289      4.202073
  C      -7.858483      6.349128      3.929939
  N      -8.331651      5.905855      2.780134
  C      -7.461144      5.933155      1.725773
  C      -7.923516      5.556152      0.439679
  C      -7.069514      5.608154     -0.645316
  C      -5.724042      6.018926     -0.483443
  C      -5.242993      6.380070      0.762034
  C      -6.098805      6.352461      1.893584
  C      -5.853363      2.778451      7.199033
  C      -6.708029      4.011650      7.542572
  C      -8.201174      3.683519      7.550134
  C      -8.795830      3.388845      6.190482
  N      -8.012252      3.470168      5.122732
  C      -8.555872      3.180503      3.905010
  N      -9.790615      2.786518      3.657216
  C     -10.630820      2.718720      4.735563
  C     -11.981392      2.335987      4.536581
  C     -12.849152      2.274243      5.609622
  C     -12.403443      2.587841      6.917081
  C     -11.090849      2.957533      7.140889
  C     -10.175457      3.030108      6.058949
  H      -3.517260      0.893742      3.251723
  H      -4.595093      1.935382      4.302765
  H      -4.954446     -0.217036      5.732795
  H      -4.469111     -1.071761      4.243829
  H      -6.926167     -0.733308      4.174584
  H      -6.736345      0.986386      4.586944
  H      -5.707816      3.319938      0.924506
  H      -5.963035     -0.293614     -1.908921
  H      -6.251757     -2.757394     -1.583127
  H      -6.496741     -3.698452      0.716183
  H      -6.475287     -2.215073      2.689339
  H      -5.029528      5.821450      5.915987
  H      -3.747324      6.533005      6.930103
  H      -2.992430      7.930913      5.043413
  H      -4.724576      8.158760      5.380899
  H      -4.081541      8.075610      2.923972
  H      -3.599298      6.387390      3.130879
  H      -8.561159      6.376292      4.771266
  H      -8.964061      5.238168      0.338712
  H      -7.432021      5.322044     -1.635982
  H      -5.060808      6.050957     -1.351821
  H      -4.204756      6.702104      0.873036
  H      -5.927161      2.050878      8.031460
  H      -6.298859      2.310663      6.307554
  H      -6.419928      4.397576      8.534188
  H      -6.509001      4.800838      6.802822
  H      -8.391341      2.816823      8.209514
  H      -8.759994      4.528690      7.988062
  H      -7.870557      3.273239      3.054177
  H     -12.302995      2.105007      3.517848
  H     -13.891579      1.984212      5.451955
  H     -13.106046      2.536389      7.753141
  H     -10.755811      3.199402      8.152625
  N      -2.453352      3.411491      3.378865
  H      -1.452397      3.570225      3.297300
  H      -2.830290      3.315639      2.434991
98
Coordinates from ORCA-job orca E -6204.122884488545
  N      -2.942829      1.362966      5.224974
  Mo     -3.564498      3.332550      5.147306
  N      -4.478211      3.141915      6.907001
  C      -3.596427      3.214793      8.075731
  C      -2.255244      2.579845      7.722378
  N      -1.744278      3.159538      6.426627
  C      -0.777588      2.244975      5.742241
  C      -1.542540      1.119591      5.009895
  C      -1.143782      4.519939      6.666328
  C      -1.636188      5.461846      5.583323
  N      -3.058893      5.204785      5.474981
  H      -1.276251      1.140235      3.934733
  H      -1.274238      0.126879      5.412848
  H      -0.215715      2.849883      5.018947
  H      -0.063981      1.859046      6.487421
  H      -1.417985      6.504790      5.861722
  H      -1.140968      5.263836      4.613932
  H      -1.515790      4.877892      7.636234
  H      -0.045971      4.441468      6.719897
  H      -4.024209      2.666003      8.932595
  H      -3.461875      4.265420      8.402715
  H      -2.388998      1.503915      7.567341
  H      -1.502718      2.743405      8.511829
  C      -3.926548      1.053231      4.252122
  C      -4.937533     -0.058721      4.583357
  C      -6.328505      0.237694      3.969639
  C      -6.222878      0.671113      2.530218
  N      -6.051745      1.974061      2.324972
  C      -5.879270      2.395726      1.036021
  N      -5.882946      1.652964     -0.058123
  C      -6.069862      0.310971      0.127727
  C      -6.083868     -0.548988     -1.002244
  C      -6.249251     -1.908744     -0.833649
  C      -6.405919     -2.466472      0.463339
  C      -6.401694     -1.654050      1.579951
  C      -6.239313     -0.249432      1.438886
  C      -3.974984      6.248993      5.918310
  C      -3.932733      7.458558      4.975628
  C      -4.200928      7.110259      3.513137
  C      -5.613312      6.682963      3.203346
  N      -6.522391      6.791460      4.158605
  C      -7.798634      6.387051      3.869731
  N      -8.244677      5.881218      2.735479
  C      -7.334192      5.803152      1.716862
  C      -7.757760      5.327285      0.446907
  C      -6.862942      5.266152     -0.602367
  C      -5.510898      5.661684     -0.423643
  C      -5.069884      6.117300      0.805104
  C      -5.970246      6.202102      1.900785
  C      -5.886151      2.863608      7.178678
  C      -6.756994      4.085252      7.506982
  C      -8.240743      3.719499      7.548925
  C      -8.864449      3.367828      6.215967
  N      -8.116891      3.441322      5.122642
  C      -8.698637      3.097811      3.931984
  N      -9.929048      2.658787      3.734323
  C     -10.726178      2.595627      4.845981
  C     -12.070580      2.163022      4.707468
  C     -12.897788      2.105330      5.813169
  C     -12.416905      2.472827      7.096074
  C     -11.108941      2.892023      7.259824
  C     -10.236448      2.961110      6.141942
  H      -3.537921      0.966324      3.224985
  H      -4.634348      1.991256      4.253973
  H      -5.031476     -0.158790      5.674254
  H      -4.527715     -1.001077      4.185313
  H      -6.982817     -0.637785      4.082556
  H      -6.786408      1.073151      4.520807
  H      -5.724950      3.471314      0.906948
  H      -5.958694     -0.101549     -1.991695
  H      -6.260372     -2.567515     -1.706475
  H      -6.534036     -3.546326      0.575641
  H      -6.526869     -2.093136      2.572854
  H      -5.001114      5.854503      5.922323
  H      -3.738587      6.573814      6.951633
  H      -2.943191      7.940632      5.042942
  H      -4.680473      8.184334      5.334202
  H      -3.972799      7.990180      2.883902
  H      -3.508000      6.315160      3.185155
  H      -8.523723      6.487058      4.684166
  H      -8.801737      5.024678      0.332902
  H      -7.193897      4.904092     -1.579445
  H      -4.815253      5.604105     -1.265088
  H      -4.028055      6.422047      0.930929
  H      -5.952162      2.139887      8.015583
  H      -6.321688      2.380202      6.290038
  H      -6.466531      4.498812      8.487367
  H      -6.584282      4.864527      6.750452
  H      -8.397654      2.868419      8.237929
  H      -8.816331      4.556687      7.982026
  H      -8.044338      3.191640      3.058357
  H     -12.421569      1.890869      3.708559
  H     -13.934969      1.776894      5.701930
  H     -13.087116      2.423693      7.958536
  H     -10.747788      3.174266      8.251922
  N      -2.510566      3.477640      3.357937
  H      -1.511602      3.637706      3.235375
  H      -2.922594      3.384962      2.427611
98
Coordinates from ORCA-job orca E -6204.126685136074
  N      -2.953970      1.352707      5.237468
  Mo     -3.558680      3.327907      5.144515
  N      -4.484524      3.171364      6.908454
  C      -3.600739      3.250700      8.073453
  C      -2.267623      2.597960      7.724892
  N      -1.750562      3.160120      6.422246
  C      -0.787193      2.237461      5.743608
  C      -1.553004      1.112371      5.013992
  C      -1.137186      4.517376      6.656790
  C      -1.628398      5.457360      5.574553
  N      -3.049491      5.200193      5.470343
  H      -1.290772      1.134312      3.937927
  H      -1.281366      0.120969      5.416451
  H      -0.222486      2.842681      5.023180
  H      -0.076448      1.857130      6.493895
  H      -1.411503      6.501063      5.850885
  H      -1.136184      5.261689      4.603728
  H      -1.503474      4.875305      7.627945
  H      -0.041409      4.420956      6.711934
  H      -4.033365      2.713541      8.935365
  H      -3.458486      4.301925      8.392628
  H      -2.406938      1.522216      7.576879
  H      -1.507389      2.763499      8.505869
  C      -3.937871      1.035334      4.265975
  C      -4.948054     -0.074742      4.609098
  C      -6.348705      0.193386      4.005670
  C      -6.278377      0.614932      2.560953
  N      -6.134795      1.918028      2.340253
  C      -5.987954      2.328517      1.045832
  N      -5.991415      1.575062     -0.038112
  C      -6.153597      0.232636      0.163994
  C      -6.168759     -0.638596     -0.956624
  C      -6.309353     -1.997736     -0.772819
  C      -6.440066     -2.545243      0.530216
  C      -6.434509     -1.721705      1.637300
  C      -6.296270     -0.317441      1.479399
  C      -3.978077      6.227987      5.922735
  C      -3.935599      7.459965      5.008228
  C      -4.168901      7.152439      3.531980
  C      -5.566919      6.723572      3.162517
  N      -6.506300      6.766350      4.093053
  C      -7.769865      6.378744      3.733253
  N      -8.173870      5.952631      2.554618
  C      -7.227888      5.936724      1.566198
  C      -7.606351      5.545298      0.254737
  C      -6.677894      5.556499     -0.764963
  C      -5.335026      5.941155     -0.515398
  C      -4.938079      6.310456      0.755329
  C      -5.875232      6.319724      1.821677
  C      -5.889516      2.884175      7.180487
  C      -6.775875      4.095040      7.501327
  C      -8.252493      3.704111      7.562334
  C      -8.889292      3.337581      6.240267
  N      -8.164477      3.441764      5.135174
  C      -8.760653      3.096850      3.953213
  N      -9.979384      2.627355      3.772502
  C     -10.751443      2.526773      4.898898
  C     -12.083781      2.056196      4.780705
  C     -12.887378      1.963032      5.899656
  C     -12.394634      2.331958      7.176123
  C     -11.097870      2.788027      7.319732
  C     -10.249821      2.892971      6.187652
  H      -3.549103      0.952034      3.237727
  H      -4.658683      1.965886      4.242500
  H      -5.034374     -0.163586      5.700797
  H      -4.530658     -1.018238      4.222748
  H      -6.984217     -0.691363      4.140352
  H      -6.813428      1.025787      4.555325
  H      -5.854470      3.404498      0.905444
  H      -6.064808     -0.199745     -1.950837
  H      -6.321486     -2.665143     -1.637317
  H      -6.549464     -3.624517      0.653037
  H      -6.540271     -2.151786      2.634728
  H      -4.996692      5.820569      5.908266
  H      -3.758393      6.531701      6.965572
  H      -2.954956      7.952866      5.107494
  H      -4.693119      8.170329      5.374512
  H      -3.932546      8.052836      2.937035
  H      -3.458819      6.378723      3.192346
  H      -8.519481      6.422017      4.528424
  H      -8.644245      5.251559      0.086556
  H      -6.972883      5.261032     -1.773936
  H      -4.613060      5.940950     -1.334416
  H      -3.903474      6.606920      0.937184
  H      -5.944729      2.164270      8.021312
  H      -6.315628      2.386653      6.296041
  H      -6.484005      4.524174      8.473454
  H      -6.624909      4.869588      6.736309
  H      -8.386888      2.855783      8.257952
  H      -8.839563      4.528776      8.002191
  H      -8.126760      3.224801      3.071073
  H     -12.445719      1.784122      3.787226
  H     -13.915033      1.605559      5.804294
  H     -13.046207      2.254634      8.048852
  H     -10.728300      3.070211      8.307108
  N      -2.583864      3.479861      3.330788
  H      -1.594761      3.666940      3.162310
  H      -3.030941      3.360450      2.418846
98
Coordinates from ORCA-job orca E -6204.128924186838
  N      -2.948470      1.351828      5.245986
  Mo     -3.508365      3.339810      5.132226
  N      -4.479742      3.205771      6.878909
  C      -3.614084      3.280420      8.057532
  C      -2.283431      2.603052      7.736459
  N      -1.731636      3.147239      6.437067
  C      -0.773649      2.202736      5.779329
  C      -1.547306      1.091031      5.038239
  C      -1.089527      4.493741      6.671461
  C      -1.551081      5.439779      5.579060
  N      -2.973648      5.204245      5.464873
  H      -1.272851      1.111931      3.965298
  H      -1.293224      0.094910      5.441511
  H      -0.184434      2.797552      5.068567
  H      -0.083591      1.812219      6.544466
  H      -1.321035      6.480906      5.854650
  H      -1.052107      5.234908      4.614065
  H      -1.456378      4.862979      7.637760
  H       0.004081      4.367905      6.739435
  H      -4.069785      2.753810      8.915326
  H      -3.462614      4.330988      8.374906
  H      -2.437881      1.528516      7.591362
  H      -1.531616      2.760040      8.526384
  C      -3.919344      1.044477      4.258264
  C      -4.951403     -0.048926      4.588622
  C      -6.326301      0.234707      3.942276
  C      -6.201792      0.628654      2.493741
  N      -6.010136      1.923596      2.251196
  C      -5.817064      2.305980      0.953066
  N      -5.811656      1.532823     -0.115395
  C      -6.016582      0.197628      0.108605
  C      -6.022905     -0.693961     -0.995638
  C      -6.205157     -2.046542     -0.788898
  C      -6.386956     -2.566737      0.520899
  C      -6.392984     -1.722066      1.612081
  C      -6.212831     -0.323969      1.430186
  C      -3.893585      6.237220      5.920784
  C      -3.883929      7.459200      4.989908
  C      -4.195661      7.123540      3.538072
  C      -5.612244      6.699479      3.274900
  N      -6.473556      6.774088      4.266935
  C      -7.755002      6.396079      4.009870
  N      -8.247431      5.955850      2.880200
  C      -7.381872      5.894716      1.835238
  C      -7.855869      5.466906      0.578168
  C      -7.011107      5.426912     -0.497134
  C      -5.660286      5.799344     -0.359222
  C      -5.169027      6.201672      0.857396
  C      -6.018284      6.260504      1.979175
  C      -5.889553      2.919283      7.122286
  C      -6.774611      4.137438      7.418943
  C      -8.253672      3.760942      7.472612
  C      -8.878276      3.377762      6.150022
  N      -8.136919      3.445582      5.055782
  C      -8.719654      3.089775      3.871820
  N      -9.941750      2.648902      3.679006
  C     -10.729826      2.583827      4.793187
  C     -12.064900      2.143968      4.658530
  C     -12.884940      2.087888      5.763181
  C     -12.405910      2.463061      7.041319
  C     -11.106656      2.889275      7.201085
  C     -10.241960      2.957260      6.083594
  H      -3.511448      0.956136      3.237500
  H      -4.633348      1.979915      4.204189
  H      -5.067451     -0.122913      5.679212
  H      -4.538340     -1.004299      4.225775
  H      -6.981299     -0.636533      4.073496
  H      -6.790963      1.084831      4.464813
  H      -5.651598      3.376258      0.794860
  H      -5.879367     -0.275937     -1.995776
  H      -6.210113     -2.730361     -1.640510
  H      -6.528022     -3.641308      0.661060
  H      -6.539713     -2.130843      2.615363
  H      -4.911162      5.827120      5.932927
  H      -3.651916      6.549025      6.955594
  H      -2.901229      7.952134      5.037003
  H      -4.621858      8.177522      5.378461
  H      -3.988816      8.006488      2.908763
  H      -3.513190      6.335620      3.178038
  H      -8.437016      6.468527      4.854076
  H      -8.898996      5.184645      0.496141
  H      -7.379260      5.103457     -1.464642
  H      -5.007984      5.764029     -1.223588
  H      -4.128140      6.485811      0.953758
  H      -5.965223      2.201972      7.963750
  H      -6.297043      2.419936      6.229268
  H      -6.488754      4.581460      8.386760
  H      -6.613402      4.899575      6.643174
  H      -8.405991      2.928713      8.183419
  H      -8.835396      4.598778      7.892483
  H      -8.069945      3.171990      3.001662
  H     -12.416113      1.866148      3.663880
  H     -13.915196      1.755194      5.655024
  H     -13.070679      2.415467      7.902528
  H     -10.748742      3.178247      8.189857
  N      -2.574047      3.461057      3.306291
  H      -1.589958      3.666784      3.111688
  H      -3.037786      3.302667      2.405637
98
Coordinates from ORCA-job orca E -6204.133063474999
  N      -2.960173      1.368425      5.254914
  Mo     -3.496652      3.358486      5.138179
  N      -4.494927      3.221052      6.871397
  C      -3.636228      3.293336      8.054381
  C      -2.304000      2.613711      7.743186
  N      -1.738295      3.155923      6.450554
  C      -0.782759      2.209380      5.796217
  C      -1.557698      1.107558      5.041939
  C      -1.080971      4.492576      6.694226
  C      -1.531310      5.445629      5.600982
  N      -2.952904      5.218520      5.478514
  H      -1.286620      1.138738      3.968507
  H      -1.300382      0.108667      5.433891
  H      -0.186924      2.806995      5.093991
  H      -0.099715      1.811072      6.562966
  H      -1.298152      6.485430      5.877983
  H      -1.025285      5.239966      4.640080
  H      -1.445639      4.861767      7.660902
  H       0.009213      4.349828      6.766782
  H      -4.097591      2.764575      8.906751
  H      -3.486417      4.340836      8.378577
  H      -2.462741      1.541308      7.592053
  H      -1.554913      2.763567      8.536817
  C      -3.926886      1.061821      4.264372
  C      -4.954649     -0.032120      4.594646
  C      -6.328207      0.247765      3.956605
  C      -6.220711      0.640998      2.508052
  N      -6.046038      1.937339      2.262128
  C      -5.887086      2.316215      0.964703
  N      -5.896018      1.542563     -0.099784
  C      -6.080062      0.206842      0.125519
  C      -6.101508     -0.683519     -0.976762
  C      -6.265097     -2.035997     -0.768718
  C      -6.412990     -2.554527      0.539568
  C      -6.405635     -1.709705      1.629724
  C      -6.242890     -0.312989      1.446993
  C      -3.875435      6.252462      5.924126
  C      -3.865658      7.480344      4.999415
  C      -4.146630      7.146491      3.537996
  C      -5.559789      6.713287      3.233819
  N      -6.457427      6.773484      4.206127
  C      -7.737104      6.407525      3.904700
  N      -8.204062      5.997210      2.744948
  C      -7.301429      5.936859      1.720878
  C      -7.744763      5.527303      0.438035
  C      -6.860927      5.489450     -0.616105
  C      -5.505315      5.848977     -0.431388
  C      -5.043057      6.231277      0.813841
  C      -5.930035      6.286462      1.915011
  C      -5.896552      2.912109      7.104825
  C      -6.789147      4.120387      7.412003
  C      -8.264347      3.731045      7.490254
  C      -8.906866      3.345434      6.179241
  N      -8.183558      3.437237      5.071409
  C      -8.779298      3.086742      3.895249
  N      -9.998806      2.629482      3.722446
  C     -10.770113      2.530473      4.851518
  C     -12.100784      2.061125      4.737527
  C     -12.901838      1.969392      5.857514
  C     -12.407656      2.337950      7.129431
  C     -11.112114      2.793275      7.269039
  C     -10.266245      2.896844      6.136044
  H      -3.514823      0.979391      3.242969
  H      -4.645146      1.988612      4.189435
  H      -5.065752     -0.102472      5.685345
  H      -4.545028     -0.990123      4.236496
  H      -6.977831     -0.625668      4.093491
  H      -6.792207      1.094775      4.484277
  H      -5.742290      3.387482      0.802740
  H      -5.985505     -0.265667     -1.976319
  H      -6.281742     -2.720240     -1.618482
  H      -6.539471     -3.628242      0.679893
  H      -6.527465     -2.117393      2.632568
  H      -4.890549      5.836275      5.921537
  H      -3.647620      6.560698      6.963863
  H      -2.888677      7.984357      5.067217
  H      -4.615711      8.191200      5.377260
  H      -3.929450      8.030491      2.913990
  H      -3.449564      6.365094      3.189409
  H      -8.445225      6.472168      4.734646
  H      -8.795522      5.257935      0.318095
  H      -7.205290      5.181987     -1.605454
  H      -4.827950      5.823594     -1.284141
  H      -3.995945      6.504475      0.948302
  H      -5.967896      2.186714      7.939394
  H      -6.296115      2.416356      6.206748
  H      -6.493569      4.568630      8.373353
  H      -6.646328      4.883276      6.632549
  H      -8.399182      2.898213      8.203385
  H      -8.846717      4.562464      7.921193
  H      -8.142907      3.182110      3.013303
  H     -12.464151      1.788628      3.746907
  H     -13.929121      1.612773      5.765735
  H     -13.057680      2.261966      8.003025
  H     -10.742906      3.076116      8.254151
  N      -2.651108      3.459009      3.276084
  H      -1.675975      3.684580      3.031268
  H      -3.153238      3.265546      2.398497
98
Coordinates from ORCA-job orca E -6204.135757609123
  N      -2.973282      1.382028      5.266407
  Mo     -3.477494      3.375291      5.139893
  N      -4.506224      3.239919      6.852269
  C      -3.660299      3.308055      8.045296
  C      -2.327524      2.617403      7.755925
  N      -1.739713      3.151606      6.472270
  C      -0.789968      2.193579      5.828375
  C      -1.571699      1.106196      5.059014
  C      -1.063066      4.474831      6.723361
  C      -1.487847      5.433183      5.620811
  N      -2.911098      5.226335      5.480983
  H      -1.298169      1.142173      3.986453
  H      -1.322426      0.101904      5.442827
  H      -0.178343      2.783910      5.133699
  H      -0.121936      1.780311      6.599903
  H      -1.243642      6.470850      5.896488
  H      -0.968090      5.215628      4.670260
  H      -1.429963      4.853434      7.685572
  H       0.022930      4.315435      6.804822
  H      -4.135303      2.784118      8.893469
  H      -3.505966      4.355232      8.369801
  H      -2.497303      1.546748      7.603818
  H      -1.589685      2.759751      8.561062
  C      -3.934945      1.078823      4.270425
  C      -4.968656     -0.013169      4.596542
  C      -6.335776      0.266463      3.944173
  C      -6.212140      0.653283      2.496042
  N      -6.023137      1.949006      2.251488
  C      -5.843663      2.324482      0.957080
  N      -5.841873      1.551110     -0.106939
  C      -6.040943      0.216582      0.114688
  C      -6.051936     -0.671479     -0.987344
  C      -6.233242     -2.022954     -0.781840
  C      -6.409345     -2.539107      0.523719
  C      -6.410348     -1.695705      1.615055
  C      -6.229923     -0.301102      1.436014
  C      -3.820405      6.275184      5.907906
  C      -3.815060      7.492100      4.969212
  C      -4.124189      7.142177      3.515375
  C      -5.546623      6.715268      3.240040
  N      -6.431812      6.789752      4.227969
  C      -7.718393      6.437117      3.953044
  N      -8.210289      6.029319      2.805192
  C      -7.322898      5.946009      1.765345
  C      -7.791071      5.531765      0.494496
  C      -6.919023      5.467354     -0.575051
  C      -5.553783      5.804055     -0.415453
  C      -5.068403      6.194121      0.818140
  C      -5.941064      6.277941      1.933049
  C      -5.903640      2.920793      7.068225
  C      -6.792518      4.133462      7.371698
  C      -8.267965      3.750363      7.464346
  C      -8.918097      3.351269      6.160514
  N      -8.202824      3.439663      5.046651
  C      -8.802074      3.073102      3.876756
  N     -10.021224      2.603659      3.716265
  C     -10.786542      2.504719      4.850379
  C     -12.114689      2.015266      4.748761
  C     -12.907011      1.921073      5.876171
  C     -12.406063      2.308729      7.141730
  C     -11.112401      2.783635      7.269370
  C     -10.274983      2.888865      6.129608
  H      -3.511930      0.988842      3.253850
  H      -4.642523      2.004501      4.171948
  H      -5.088786     -0.075113      5.686927
  H      -4.562795     -0.976897      4.251227
  H      -6.990034     -0.604401      4.076307
  H      -6.803564      1.115900      4.463679
  H      -5.685736      3.394448      0.796218
  H      -5.914740     -0.254009     -1.985346
  H      -6.242935     -2.706705     -1.631707
  H      -6.550471     -3.611618      0.662035
  H      -6.553603     -2.102727      2.616511
  H      -4.837640      5.865344      5.916517
  H      -3.582934      6.596359      6.940654
  H      -2.835030      7.990841      5.016524
  H      -4.555362      8.210639      5.349059
  H      -3.910685      8.015932      2.875565
  H      -3.439731      6.350467      3.166509
  H      -8.412713      6.512932      4.796346
  H      -8.847962      5.276765      0.394644
  H      -7.280649      5.152282     -1.554762
  H      -4.886455      5.755827     -1.280012
  H      -4.013235      6.449662      0.933582
  H      -5.988093      2.191785      7.898300
  H      -6.293981      2.432780      6.163018
  H      -6.486910      4.589740      8.325972
  H      -6.653312      4.887851      6.583012
  H      -8.399397      2.925839      8.188287
  H      -8.845040      4.588862      7.888972
  H      -8.172253      3.171999      2.986910
  H     -12.482918      1.727782      3.761980
  H     -13.932366      1.547934      5.794848
  H     -13.049324      2.231014      8.020758
  H     -10.737385      3.079996      8.250544
  N      -2.695396      3.451976      3.255924
  H      -1.741852      3.709380      2.983419
  H      -3.210650      3.222649      2.401626
98
Coordinates from ORCA-job orca E -6204.138168824483
  N      -2.959916      1.399511      5.262187
  Mo     -3.461325      3.386397      5.144786
  N      -4.505389      3.229659      6.838646
  C      -3.665734      3.295244      8.038939
  C      -2.328445      2.613431      7.761017
  N      -1.732752      3.155760      6.487665
  C      -0.780334      2.204496      5.840078
  C      -1.557520      1.128651      5.050059
  C      -1.054792      4.471959      6.752859
  C      -1.468007      5.433573      5.647540
  N      -2.891894      5.231353      5.492964
  H      -1.287180      1.181357      3.977233
  H      -1.302156      0.119810      5.416323
  H      -0.164788      2.800391      5.154988
  H      -0.118176      1.779191      6.609074
  H      -1.225033      6.470893      5.926408
  H      -0.932312      5.214924      4.705702
  H      -1.426942      4.849421      7.713892
  H       0.027585      4.311867      6.838941
  H      -4.143056      2.766670      8.881858
  H      -3.517315      4.341122      8.368441
  H      -2.495560      1.544059      7.602193
  H      -1.601207      2.752995      8.576650
  C      -3.922019      1.089466      4.265982
  C      -4.938165     -0.020986      4.587817
  C      -6.314209      0.221575      3.932216
  C      -6.205157      0.598272      2.480291
  N      -6.052912      1.895587      2.227795
  C      -5.887212      2.266302      0.932073
  N      -5.864887      1.486978     -0.128188
  C      -6.027990      0.150796      0.099905
  C      -6.016540     -0.742179     -0.997114
  C      -6.164357     -2.095099     -0.784918
  C      -6.329291     -2.605345      0.522543
  C      -6.349732     -1.757083      1.610309
  C      -6.202699     -0.361616      1.425775
  C      -3.797713      6.285224      5.914840
  C      -3.794306      7.495788      4.971348
  C      -4.126569      7.139498      3.522982
  C      -5.555532      6.720170      3.267125
  N      -6.427372      6.791841      4.268313
  C      -7.720267      6.453276      4.005940
  N      -8.232471      6.060236      2.859348
  C      -7.358581      5.972456      1.808163
  C      -7.846377      5.567460      0.539710
  C      -6.987337      5.502364     -0.542528
  C      -5.616357      5.826653     -0.396076
  C      -5.111901      6.206983      0.835771
  C      -5.970443      6.292578      1.963061
  C      -5.896696      2.891076      7.043226
  C      -6.785595      4.100295      7.362115
  C      -8.263902      3.730180      7.456177
  C      -8.916848      3.347623      6.151601
  N      -8.201570      3.430199      5.039635
  C      -8.804002      3.085171      3.868508
  N     -10.029458      2.647587      3.702643
  C     -10.795349      2.559536      4.833145
  C     -12.129614      2.111970      4.724687
  C     -12.923226      2.031912      5.849741
  C     -12.416282      2.391921      7.118497
  C     -11.116305      2.825265      7.252738
  C     -10.277633      2.916867      6.115980
  H      -3.494202      1.003384      3.251007
  H      -4.633481      2.003187      4.153899
  H      -5.057913     -0.081250      5.678224
  H      -4.515588     -0.979229      4.249061
  H      -6.946942     -0.663675      4.070054
  H      -6.804651      1.061366      4.445250
  H      -5.759871      3.338264      0.765350
  H      -5.889706     -0.328220     -1.996972
  H      -6.157346     -2.783308     -1.631237
  H      -6.445201     -3.678572      0.666201
  H      -6.483000     -2.160746      2.613229
  H      -4.816584      5.878155      5.933499
  H      -3.551544      6.613206      6.943129
  H      -2.810268      7.988421      5.002564
  H      -4.525778      8.220031      5.357551
  H      -3.915194      8.007010      2.874127
  H      -3.453464      6.339639      3.170605
  H      -8.403077      6.524220      4.859811
  H      -8.906300      5.320876      0.450868
  H      -7.363617      5.193592     -1.520669
  H      -4.959345      5.775763     -1.268694
  H      -4.052849      6.452440      0.940411
  H      -5.984994      2.148305      7.860393
  H      -6.282611      2.420400      6.128610
  H      -6.473007      4.547588      8.316817
  H      -6.643870      4.857488      6.578983
  H      -8.403162      2.904953      8.174403
  H      -8.830917      4.573258      7.885985
  H      -8.175580      3.181335      2.978505
  H     -12.501820      1.845843      3.735585
  H     -13.953023      1.692945      5.763782
  H     -13.060708      2.326625      7.994816
  H     -10.736691      3.102624      8.235977
  N      -2.781064      3.477930      3.226609
  H      -1.858703      3.782480      2.912151
  H      -3.322273      3.219908      2.401962
98
Coordinates from ORCA-job orca E -6204.140776398769
  N      -2.975875      1.421239      5.267458
  Mo     -3.453159      3.408939      5.149814
  N      -4.511418      3.255907      6.828062
  C      -3.680071      3.315935      8.037655
  C      -2.346356      2.619264      7.775698
  N      -1.733179      3.154382      6.507668
  C      -0.789407      2.191078      5.861848
  C      -1.576656      1.132586      5.056549
  C      -1.039861      4.459971      6.777217
  C      -1.426927      5.422963      5.662322
  N      -2.853782      5.242192      5.491591
  H      -1.303807      1.190758      3.984480
  H      -1.333615      0.116598      5.413357
  H      -0.158610      2.779044      5.183547
  H      -0.141011      1.748244      6.632775
  H      -1.172198      6.458350      5.938598
  H      -0.878539      5.190214      4.731367
  H      -1.414567      4.847764      7.733403
  H       0.040522      4.287886      6.870323
  H      -4.170557      2.794955      8.878740
  H      -3.524322      4.362720      8.363141
  H      -2.524960      1.550706      7.618402
  H      -1.630014      2.753033      8.602222
  C      -3.945626      1.110909      4.273421
  C      -4.960813     -0.001396      4.598256
  C      -6.338028      0.231231      3.935528
  C      -6.222805      0.597755      2.480706
  N      -6.066346      1.894440      2.222062
  C      -5.889495      2.260703      0.925098
  N      -5.858212      1.475664     -0.132376
  C      -6.027175      0.139747      0.101700
  C      -6.007511     -0.759114     -0.990837
  C      -6.163374     -2.112001     -0.772995
  C      -6.344266     -2.615763      0.536201
  C      -6.370702     -1.762404      1.620226
  C      -6.215613     -0.366795      1.430697
  C      -3.742333      6.315247      5.900723
  C      -3.720940      7.512755      4.943594
  C      -4.071604      7.147307      3.501559
  C      -5.506170      6.741051      3.265292
  N      -6.359407      6.813079      4.279503
  C      -7.655629      6.478470      4.035657
  N      -8.186881      6.088967      2.896071
  C      -7.331349      6.000301      1.833088
  C      -7.839027      5.596606      0.572611
  C      -6.999889      5.532432     -0.522401
  C      -5.627837      5.854113     -0.395974
  C      -5.103547      6.231722      0.827856
  C      -5.942481      6.317601      1.968331
  C      -5.902639      2.909432      7.019031
  C      -6.800932      4.115493      7.334802
  C      -8.278571      3.736459      7.432477
  C      -8.934219      3.341783      6.130818
  N      -8.227129      3.436925      5.014567
  C      -8.832724      3.080886      3.847868
  N     -10.053235      2.615927      3.689641
  C     -10.810468      2.512815      4.824328
  C     -12.138022      2.032019      4.726183
  C     -12.922084      1.931899      5.857675
  C     -12.412068      2.305465      7.122405
  C     -11.118524      2.772176      7.246492
  C     -10.289042      2.883496      6.103549
  H      -3.516137      1.013885      3.260628
  H      -4.647519      2.024099      4.148403
  H      -5.084142     -0.055174      5.688979
  H      -4.536244     -0.961300      4.267180
  H      -6.968273     -0.656084      4.075908
  H      -6.835490      1.072775      4.438933
  H      -5.759631      3.332927      0.754095
  H      -5.868706     -0.350052     -1.992139
  H      -6.150654     -2.804202     -1.616395
  H      -6.467432     -3.689005      0.684805
  H      -6.515769     -2.161650      2.624257
  H      -4.768114      5.926117      5.930841
  H      -3.485242      6.652703      6.923353
  H      -2.727927      7.988307      4.960471
  H      -4.438015      8.252780      5.328528
  H      -3.856590      8.005679      2.842014
  H      -3.413387      6.334044      3.151027
  H      -8.325185      6.546607      4.898896
  H      -8.898497      5.351425      0.500211
  H      -7.392018      5.224707     -1.494375
  H      -4.985274      5.801594     -1.275830
  H      -4.044647      6.474455      0.915593
  H      -5.997260      2.161412      7.830733
  H      -6.280227      2.444695      6.097168
  H      -6.486632      4.568891      8.287179
  H      -6.663324      4.868715      6.546757
  H      -8.408876      2.912899      8.155186
  H      -8.850756      4.579344      7.858830
  H      -8.211799      3.187080      2.954146
  H     -12.512261      1.755299      3.740334
  H     -13.946420      1.565002      5.780198
  H     -13.048820      2.223061      8.004162
  H     -10.735881      3.058076      8.226383
  N      -2.868411      3.503289      3.202767
  H      -1.974744      3.847196      2.847379
  H      -3.438078      3.218040      2.405192
98
Coordinates from ORCA-job orca E -6204.143545190481
  N      -2.977386      1.433890      5.271095
  Mo     -3.449067      3.417084      5.160376
  N      -4.507732      3.262912      6.826483
  C      -3.684235      3.315613      8.045395
  C      -2.351962      2.610135      7.795436
  N      -1.727754      3.145392      6.532866
  C      -0.788941      2.177332      5.883527
  C      -1.581194      1.133877      5.061240
  C      -1.031341      4.447170      6.803188
  C      -1.398980      5.408276      5.677060
  N      -2.827002      5.240159      5.489905
  H      -1.304015      1.200056      3.990617
  H      -1.347801      0.111343      5.407680
  H      -0.146489      2.761920      5.212534
  H      -0.150838      1.718763      6.654455
  H      -1.138801      6.443228      5.949531
  H      -0.839176      5.163422      4.756443
  H      -1.411244      4.843372      7.753821
  H       0.050114      4.274194      6.902471
  H      -4.186610      2.800179      8.883234
  H      -3.524896      4.363108      8.366411
  H      -2.535026      1.541762      7.637758
  H      -1.648141      2.740668      8.633034
  C      -3.958960      1.116634      4.283618
  C      -4.961870     -0.003708      4.614476
  C      -6.340684      0.220597      3.951022
  C      -6.221881      0.591238      2.495922
  N      -6.070550      1.890846      2.241011
  C      -5.893721      2.264733      0.944228
  N      -5.856084      1.482438     -0.116927
  C      -6.019521      0.143977      0.114328
  C      -5.993815     -0.752994     -0.980814
  C      -6.146211     -2.108620     -0.767541
  C      -6.329737     -2.618078      0.540527
  C      -6.361053     -1.768000      1.627040
  C      -6.209027     -0.369292      1.442344
  C      -3.706083      6.331032      5.882908
  C      -3.677342      7.511563      4.904007
  C      -4.049997      7.135814      3.469665
  C      -5.492207      6.752790      3.249414
  N      -6.333872      6.847022      4.269606
  C      -7.638278      6.529430      4.042957
  N      -8.185930      6.137357      2.914478
  C      -7.341152      6.029888      1.844761
  C      -7.866042      5.624523      0.594634
  C      -7.040133      5.541695     -0.507985
  C      -5.662880      5.846441     -0.400422
  C      -5.121576      6.224104      0.812131
  C      -5.947344      6.328750      1.961344
  C      -5.901353      2.912619      7.003989
  C      -6.804235      4.113349      7.332508
  C      -8.280040      3.726270      7.427716
  C      -8.933492      3.339411      6.121567
  N      -8.227073      3.451639      5.006121
  C      -8.831857      3.105481      3.835636
  N     -10.050827      2.632644      3.672096
  C     -10.805870      2.510689      4.806387
  C     -12.130980      2.019332      4.705320
  C     -12.912881      1.899209      5.836827
  C     -12.403874      2.262862      7.105439
  C     -11.113314      2.739741      7.232771
  C     -10.285527      2.870940      6.089794
  H      -3.532646      1.009286      3.270439
  H      -4.656302      2.026961      4.157009
  H      -5.085974     -0.057664      5.705708
  H      -4.530951     -0.960657      4.282775
  H      -6.965136     -0.672128      4.088567
  H      -6.845403      1.059115      4.452477
  H      -5.771075      3.339719      0.776505
  H      -5.853503     -0.340090     -1.980904
  H      -6.128850     -2.797749     -1.613748
  H      -6.451048     -3.693384      0.686726
  H      -6.507965     -2.171719      2.629856
  H      -4.736881      5.954931      5.931131
  H      -3.436171      6.684451      6.897003
  H      -2.676100      7.970255      4.900511
  H      -4.378904      8.268404      5.287365
  H      -3.825561      7.983173      2.799270
  H      -3.411947      6.304851      3.123077
  H      -8.301546      6.614558      4.908962
  H      -8.929926      5.394030      0.536655
  H      -7.446933      5.234043     -1.471218
  H      -5.029802      5.781700     -1.285829
  H      -4.058851      6.452884      0.884076
  H      -5.999866      2.152342      7.803162
  H      -6.274900      2.463740      6.071395
  H      -6.488247      4.558687      8.288818
  H      -6.667633      4.873057      6.549573
  H      -8.404499      2.894925      8.143621
  H      -8.855790      4.564155      7.859380
  H      -8.213182      3.224242      2.943195
  H     -12.504462      1.750237      3.716773
  H     -13.935032      1.523118      5.756684
  H     -13.038899      2.164270      7.987629
  H     -10.730559      3.017610      8.215042
  N      -2.965750      3.533617      3.188102
  H      -2.106125      3.924007      2.796200
  H      -3.561260      3.222569      2.418016
98
Coordinates from ORCA-job orca E -6204.146512074259
  N      -2.974322      1.450883      5.264609
  Mo     -3.445307      3.428579      5.169230
  N      -4.502660      3.272640      6.823392
  C      -3.690312      3.313289      8.053230
  C      -2.360132      2.597494      7.815027
  N      -1.722479      3.136617      6.560741
  C      -0.786950      2.167387      5.905629
  C      -1.580478      1.141546      5.059978
  C      -1.026558      4.436222      6.834707
  C      -1.374570      5.398254      5.699593
  N      -2.801506      5.239988      5.493278
  H      -1.292617      1.219399      3.992934
  H      -1.358796      0.111841      5.394041
  H      -0.131332      2.752905      5.247400
  H      -0.160615      1.692269      6.676910
  H      -1.112096      6.432351      5.972458
  H      -0.804105      5.146556      4.787933
  H      -1.413922      4.836477      7.780263
  H       0.056464      4.263736      6.942457
  H      -4.208459      2.802507      8.883997
  H      -3.527268      4.359947      8.372400
  H      -2.545467      1.529987      7.652583
  H      -1.669650      2.722372      8.664148
  C      -3.967100      1.128260      4.280989
  C      -4.955737     -0.001081      4.614279
  C      -6.336164      0.212176      3.952366
  C      -6.225564      0.581894      2.494872
  N      -6.093456      1.882677      2.232727
  C      -5.936254      2.255458      0.931904
  N      -5.897670      1.468943     -0.126829
  C      -6.038687      0.129290      0.113913
  C      -6.010795     -0.774309     -0.977392
  C      -6.142527     -2.131328     -0.757126
  C      -6.307719     -2.638450      0.555080
  C      -6.340933     -1.783047      1.637103
  C      -6.208782     -0.381887      1.444478
  C      -3.678593      6.342772      5.876418
  C      -3.643547      7.513665      4.885062
  C      -4.025833      7.134786      3.454820
  C      -5.470693      6.762374      3.238521
  N      -6.306188      6.856617      4.261735
  C      -7.613267      6.542666      4.039693
  N      -8.165476      6.154022      2.912001
  C      -7.325279      6.049811      1.839425
  C      -7.855708      5.649238      0.590185
  C      -7.037132      5.569455     -0.514934
  C      -5.659784      5.873294     -0.413220
  C      -5.113284      6.244420      0.797147
  C      -5.932593      6.345307      1.950391
  C      -5.900900      2.921827      6.984491
  C      -6.808041      4.115793      7.325998
  C      -8.280192      3.718123      7.421742
  C      -8.937362      3.334488      6.114564
  N      -8.236504      3.455393      4.995651
  C      -8.847591      3.110780      3.825348
  N     -10.066793      2.633257      3.664569
  C     -10.813810      2.501943      4.803766
  C     -12.138655      2.003968      4.708478
  C     -12.913064      1.874352      5.843986
  C     -12.397878      2.234355      7.113079
  C     -11.108212      2.717340      7.235294
  C     -10.287785      2.858256      6.087210
  H      -3.543651      1.015509      3.266773
  H      -4.662992      2.036114      4.159044
  H      -5.081318     -0.059207      5.705593
  H      -4.515129     -0.952980      4.279608
  H      -6.950090     -0.687726      4.092649
  H      -6.848880      1.046993      4.452307
  H      -5.834085      3.332225      0.758104
  H      -5.885365     -0.364145     -1.980587
  H      -6.123077     -2.823522     -1.600991
  H      -6.413315     -3.714904      0.707964
  H      -6.473619     -2.184278      2.643005
  H      -4.712429      5.974116      5.934792
  H      -3.402956      6.703411      6.886710
  H      -2.636513      7.960616      4.871269
  H      -4.335274      8.281548      5.266767
  H      -3.794892      7.977609      2.781625
  H      -3.398359      6.294668      3.109693
  H      -8.274461      6.626959      4.906299
  H      -8.920210      5.420541      0.536654
  H      -7.449618      5.267042     -1.476663
  H      -5.030857      5.814024     -1.301501
  H      -4.050158      6.471972      0.863983
  H      -6.000371      2.148945      7.770885
  H      -6.269231      2.488315      6.041240
  H      -6.491649      4.553753      8.286600
  H      -6.673688      4.883195      6.548405
  H      -8.396745      2.880499      8.133704
  H      -8.858396      4.550167      7.858906
  H      -8.235479      3.233723      2.930569
  H     -12.517442      1.737536      3.719658
  H     -13.934781      1.492999      5.767238
  H     -13.027121      2.128234      7.999028
  H     -10.719868      2.992788      8.217365
  N      -3.068342      3.587103      3.181579
  H      -2.246975      4.025904      2.760734
  H      -3.687443      3.259871      2.437739
98
Coordinates from ORCA-job orca E -6204.149668727904
  N      -2.968656      1.467333      5.252875
  Mo     -3.443889      3.437637      5.177528
  N      -4.493205      3.281149      6.824370
  C      -3.690906      3.308431      8.062645
  C      -2.362808      2.583425      7.831162
  N      -1.714304      3.127470      6.585618
  C      -0.782653      2.160086      5.921859
  C      -1.576520      1.151352      5.052839
  C      -1.021380      4.426054      6.861962
  C      -1.355033      5.389254      5.719695
  N      -2.779324      5.237742      5.496992
  H      -1.276878      1.241919      3.990252
  H      -1.365108      0.115373      5.373687
  H      -0.116260      2.749217      5.277601
  H      -0.165928      1.669921      6.691735
  H      -1.091946      6.422595      5.993889
  H      -0.777829      5.133815      4.814006
  H      -1.414869      4.828332      7.803630
  H       0.062911      4.255766      6.976534
  H      -4.223931      2.801290      8.885087
  H      -3.523972      4.353199      8.382104
  H      -2.548297      1.517159      7.661659
  H      -1.682496      2.701948      8.689324
  C      -3.973259      1.139057      4.274105
  C      -4.946720      0.001723      4.611542
  C      -6.328041      0.203887      3.954147
  C      -6.234009      0.569029      2.493512
  N      -6.122432      1.868722      2.216425
  C      -5.991915      2.231549      0.909410
  N      -5.956770      1.435848     -0.141521
  C      -6.072005      0.097055      0.116765
  C      -6.044191     -0.818792     -0.965554
  C      -6.151160     -2.175009     -0.730124
  C      -6.291181     -2.672721      0.589299
  C      -6.324206     -1.805784      1.661488
  C      -6.216318     -0.404041      1.451779
  C      -3.658798      6.347802      5.872973
  C      -3.619518      7.515274      4.876538
  C      -4.007438      7.139142      3.448820
  C      -5.455317      6.779882      3.231203
  N      -6.289942      6.877002      4.254274
  C      -7.600924      6.573123      4.030476
  N      -8.154795      6.192182      2.900386
  C      -7.313939      6.086775      1.828265
  C      -7.846788      5.693659      0.576868
  C      -7.029280      5.612111     -0.526662
  C      -5.649601      5.908320     -0.424037
  C      -5.101709      6.271028      0.787339
  C      -5.920101      6.371778      1.939896
  C      -5.895270      2.928188      6.969995
  C      -6.808483      4.111135      7.327620
  C      -8.275609      3.699922      7.420129
  C      -8.932927      3.326865      6.109707
  N      -8.234120      3.465556      4.990721
  C      -8.847116      3.131985      3.817019
  N     -10.064847      2.653218      3.652793
  C     -10.807501      2.503487      4.793659
  C     -12.131230      2.002660      4.695614
  C     -12.902052      1.854525      5.830378
  C     -12.385620      2.197699      7.103842
  C     -11.097876      2.683393      7.229077
  C     -10.281133      2.843462      6.080383
  H      -3.554853      1.024010      3.257481
  H      -4.669911      2.044725      4.162471
  H      -5.071939     -0.060966      5.702769
  H      -4.497174     -0.945287      4.273554
  H      -6.929321     -0.703366      4.100128
  H      -6.847377      1.034787      4.454138
  H      -5.911822      3.308409      0.722490
  H      -5.938571     -0.416728     -1.974488
  H      -6.131363     -2.874884     -1.567441
  H      -6.377445     -3.748780      0.755102
  H      -6.437299     -2.198593      2.673279
  H      -4.693349      5.981814      5.936495
  H      -3.380516      6.709331      6.881902
  H      -2.608120      7.952383      4.858258
  H      -4.302692      8.291196      5.257765
  H      -3.767002      7.979618      2.776525
  H      -3.390161      6.291657      3.104045
  H      -8.262492      6.659828      4.895815
  H      -8.913882      5.471872      0.522496
  H      -7.444372      5.316512     -1.489494
  H      -5.020315      5.851262     -1.313171
  H      -4.036148      6.493013      0.855147
  H      -5.990710      2.140819      7.742131
  H      -6.256810      2.509893      6.016663
  H      -6.495689      4.538628      8.294551
  H      -6.677551      4.890327      6.559844
  H      -8.385247      2.852664      8.122371
  H      -8.857788      4.522303      7.866977
  H      -8.238539      3.266054      2.921881
  H     -12.511589      1.749293      3.703788
  H     -13.922725      1.471238      5.750127
  H     -13.012106      2.077034      7.989809
  H     -10.708126      2.946613      8.214011
  N      -3.180277      3.647690      3.183588
  H      -2.400984      4.137145      2.739407
  H      -3.821779      3.307083      2.465446
98
Coordinates from ORCA-job orca E -6204.152949950027
  N      -2.962430      1.484589      5.234054
  Mo     -3.446020      3.444806      5.182652
  N      -4.485652      3.287064      6.824921
  C      -3.692196      3.300972      8.068920
  C      -2.365793      2.569072      7.840945
  N      -1.707732      3.119339      6.606027
  C      -0.779127      2.157642      5.932187
  C      -1.570710      1.166173      5.038191
  C      -1.019992      4.416424      6.887318
  C      -1.342509      5.382052      5.740559
  N      -2.762938      5.234959      5.501028
  H      -1.259610      1.272489      3.980730
  H      -1.366093      0.124654      5.343507
  H      -0.104067      2.753464      5.303846
  H      -0.170399      1.652569      6.698575
  H      -1.080469      6.414480      6.018683
  H      -0.758942      5.126476      4.839629
  H      -1.420103      4.818205      7.826038
  H       0.064084      4.249508      7.009136
  H      -4.238290      2.796301      8.882705
  H      -3.520613      4.342952      8.391386
  H      -2.550467      1.504596      7.662214
  H      -1.693352      2.680082      8.706561
  C      -3.977035      1.150335      4.260366
  C      -4.933877      0.004037      4.601789
  C      -6.315455      0.195019      3.949722
  C      -6.239224      0.557328      2.487469
  N      -6.148108      1.855110      2.197992
  C      -6.045723      2.207145      0.886223
  N      -6.015452      1.404315     -0.157272
  C      -6.104399      0.066992      0.115123
  C      -6.077418     -0.858042     -0.959588
  C      -6.158621     -2.212312     -0.711555
  C      -6.271559     -2.701674      0.613539
  C      -6.304105     -1.825380      1.677360
  C      -6.221587     -0.424488      1.453239
  C      -3.648579      6.346656      5.872260
  C      -3.608977      7.518747      4.880850
  C      -3.994431      7.150354      3.451911
  C      -5.442251      6.791544      3.226863
  N      -6.282229      6.879432      4.248234
  C      -7.591902      6.574523      4.016200
  N      -8.138706      6.200207      2.879178
  C      -7.292478      6.103150      1.808992
  C      -7.818337      5.713806      0.551093
  C      -6.994755      5.639164     -0.548690
  C      -5.616580      5.940613     -0.437928
  C      -5.076720      6.299737      0.779500
  C      -5.900679      6.391072      1.928176
  C      -5.890734      2.933123      6.955845
  C      -6.806142      4.107482      7.326385
  C      -8.269627      3.689158      7.420106
  C      -8.931419      3.321717      6.110269
  N      -8.236827      3.466567      4.989217
  C      -8.854517      3.137358      3.815379
  N     -10.071516      2.661232      3.653680
  C     -10.808718      2.505373      4.797874
  C     -12.132430      2.006620      4.701175
  C     -12.898360      1.852429      5.836912
  C     -12.377609      2.186908      7.111593
  C     -11.090274      2.670586      7.235507
  C     -10.278757      2.837093      6.084501
  H      -3.564031      1.037512      3.240855
  H      -4.676867      2.052744      4.162082
  H      -5.056800     -0.063962      5.692751
  H      -4.476142     -0.937860      4.259830
  H      -6.904143     -0.719280      4.099110
  H      -6.840867      1.020515      4.452313
  H      -5.987533      3.283271      0.687722
  H      -5.993022     -0.462630     -1.972886
  H      -6.139055     -2.918633     -1.543045
  H      -6.337442     -3.776543      0.789852
  H      -6.396003     -2.210832      2.693749
  H      -4.681592      5.976917      5.934879
  H      -3.371750      6.703197      6.882743
  H      -2.596301      7.953535      4.866840
  H      -4.289998      8.295368      5.263383
  H      -3.749923      7.993842      2.785271
  H      -3.377855      6.303909      3.104937
  H      -8.256805      6.654982      4.880306
  H      -8.884919      5.488507      0.490353
  H      -7.404375      5.346705     -1.516514
  H      -4.982390      5.891501     -1.326018
  H      -4.011694      6.526704      0.854661
  H      -5.983097      2.132780      7.714972
  H      -6.244749      2.528485      5.994292
  H      -6.495343      4.527621      8.297219
  H      -6.678627      4.895199      6.565995
  H      -8.375632      2.837303      8.117429
  H      -8.851328      4.506459      7.873631
  H      -8.250307      3.272204      2.917792
  H     -12.516475      1.759893      3.708422
  H     -13.918895      1.471186      5.756734
  H     -13.000388      2.061533      7.998753
  H     -10.697139      2.927838      8.221305
  N      -3.301334      3.709704      3.192202
  H      -2.568302      4.250696      2.731385
  H      -3.962807      3.357492      2.498857
98
Coordinates from ORCA-job orca E -6204.156352360439
  N      -2.955690      1.503011      5.211123
  Mo     -3.446001      3.452224      5.183648
  N      -4.478958      3.296045      6.824267
  C      -3.693043      3.297538      8.071179
  C      -2.369242      2.558718      7.845891
  N      -1.700546      3.112492      6.622312
  C      -0.775367      2.155528      5.940852
  C      -1.563339      1.181567      5.022223
  C      -1.015468      4.405917      6.909671
  C      -1.325071      5.373657      5.759298
  N      -2.741644      5.233621      5.502096
  H      -1.239488      1.302448      3.970651
  H      -1.365498      0.135074      5.313159
  H      -0.090763      2.757412      5.329596
  H      -0.175643      1.634728      6.703415
  H      -1.061846      6.404650      6.041961
  H      -0.734923      5.117249      4.863483
  H      -1.422332      4.808499      7.845012
  H       0.066467      4.239391      7.040880
  H      -4.250648      2.795370      8.877545
  H      -3.514258      4.336373      8.398433
  H      -2.555437      1.496315      7.658555
  H      -1.702670      2.661378      8.717508
  C      -3.977775      1.163476      4.243252
  C      -4.920958      0.009351      4.590726
  C      -6.304921      0.187298      3.943653
  C      -6.247223      0.535428      2.478032
  N      -6.175141      1.828111      2.168559
  C      -6.100114      2.158822      0.851118
  N      -6.076685      1.342376     -0.179468
  C      -6.142244      0.009001      0.113272
  C      -6.118882     -0.930401     -0.948257
  C      -6.177387     -2.279971     -0.679586
  C      -6.263216     -2.750947      0.653202
  C      -6.292493     -1.859238      1.703884
  C      -6.232550     -0.462419      1.457888
  C      -3.630641      6.344579      5.869566
  C      -3.591899      7.526534      4.891056
  C      -3.980334      7.172113      3.460725
  C      -5.429781      6.817580      3.236595
  N      -6.269503      6.901449      4.260116
  C      -7.580468      6.603220      4.026688
  N      -8.129692      6.238269      2.887647
  C      -7.284605      6.142276      1.815494
  C      -7.812803      5.757967      0.555706
  C      -6.987285      5.681415     -0.544201
  C      -5.606834      5.977163     -0.432011
  C      -5.065967      6.333083      0.787658
  C      -5.890553      6.424768      1.935033
  C      -5.885694      2.941666      6.939998
  C      -6.802793      4.108225      7.320763
  C      -8.264126      3.684176      7.411571
  C      -8.923620      3.324212      6.100203
  N      -8.228361      3.482307      4.981845
  C      -8.842056      3.160170      3.805044
  N     -10.054838      2.681735      3.639342
  C     -10.792894      2.511266      4.781386
  C     -12.112683      2.007528      4.677519
  C     -12.878913      1.837392      5.809907
  C     -12.362229      2.160660      7.087938
  C     -11.078923      2.649828      7.218228
  C     -10.267584      2.832584      6.070385
  H      -3.569382      1.054919      3.221528
  H      -4.681100      2.062475      4.157630
  H      -5.039339     -0.059264      5.681719
  H      -4.457624     -0.929702      4.248456
  H      -6.884464     -0.730681      4.101877
  H      -6.833777      1.011289      4.444973
  H      -6.060559      3.231567      0.635013
  H      -6.055551     -0.548369     -1.967589
  H      -6.160454     -2.998297     -1.500403
  H      -6.311053     -3.822606      0.845655
  H      -6.363277     -2.230448      2.726337
  H      -4.661241      5.970166      5.928538
  H      -3.354926      6.692411      6.882618
  H      -2.578740      7.959200      4.882006
  H      -4.269472      8.301261      5.280721
  H      -3.733876      8.019671      2.799786
  H      -3.367097      6.328072      3.107132
  H      -8.242292      6.682866      4.893766
  H      -8.881085      5.536838      0.493938
  H      -7.397487      5.392151     -1.513907
  H      -4.972242      5.926833     -1.320827
  H      -3.998983      6.556569      0.865336
  H      -5.978627      2.129080      7.686144
  H      -6.230210      2.549631      5.971225
  H      -6.496220      4.520604      8.295345
  H      -6.678069      4.903705      6.568904
  H      -8.368549      2.827593      8.101546
  H      -8.848614      4.495798      7.871746
  H      -8.236868      3.304643      2.908108
  H     -12.493445      1.769595      3.682383
  H     -13.896229      1.452181      5.724130
  H     -12.985099      2.022440      7.972463
  H     -10.689377      2.898479      8.206806
  N      -3.419443      3.766275      3.205402
  H      -2.735025      4.356709      2.734580
  H      -4.097598      3.403856      2.535146
98
Coordinates from ORCA-job orca E -6204.159914547865
  N      -2.952093      1.522305      5.181007
  Mo     -3.450105      3.458875      5.178853
  N      -4.476706      3.302919      6.821620
  C      -3.693098      3.293576      8.067562
  C      -2.372437      2.550639      7.841478
  N      -1.696016      3.107519      6.627973
  C      -0.774469      2.155050      5.939015
  C      -1.558586      1.198035      4.998489
  C      -1.011859      4.396028      6.921666
  C      -1.309505      5.365218      5.769540
  N      -2.723910      5.233992      5.496400
  H      -1.224211      1.331554      3.952193
  H      -1.366115      0.147171      5.276085
  H      -0.081575      2.762140      5.343447
  H      -0.182536      1.617685      6.695596
  H      -1.043667      6.394591      6.056676
  H      -0.712396      5.107331      4.878872
  H      -1.424224      4.800509      7.854141
  H       0.066882      4.228916      7.061771
  H      -4.256941      2.792292      8.869677
  H      -3.505794      4.329285      8.400939
  H      -2.562352      1.490226      7.646898
  H      -1.708946      2.644790      8.717242
  C      -3.981317      1.175831      4.222886
  C      -4.909943      0.011875      4.579252
  C      -6.299604      0.174486      3.937598
  C      -6.254558      0.504906      2.468240
  N      -6.195203      1.792562      2.140979
  C      -6.136883      2.103374      0.818920
  N      -6.116193      1.273775     -0.200179
  C      -6.165787     -0.056062      0.109260
  C      -6.142097     -1.007404     -0.940290
  C      -6.185300     -2.352716     -0.653017
  C      -6.255219     -2.805304      0.686201
  C      -6.284492     -1.900336      1.725860
  C      -6.240227     -0.508115      1.461492
  C      -3.611458      6.343571      5.865868
  C      -3.575041      7.542601      4.910636
  C      -3.968596      7.211359      3.476667
  C      -5.418570      6.853448      3.257068
  N      -6.255376      6.925357      4.285809
  C      -7.564213      6.622403      4.055477
  N      -8.115747      6.260127      2.916795
  C      -7.275062      6.171407      1.839525
  C      -7.804048      5.782936      0.580605
  C      -6.978362      5.709439     -0.522841
  C      -5.599953      6.013918     -0.413874
  C      -5.058738      6.376472      0.805854
  C      -5.881820      6.463533      1.955283
  C      -5.883578      2.950186      6.925898
  C      -6.799111      4.113895      7.313201
  C      -8.261165      3.689185      7.400813
  C      -8.916397      3.332125      6.087708
  N      -8.218753      3.495098      4.972735
  C      -8.825858      3.174246      3.793712
  N     -10.035073      2.693281      3.623920
  C     -10.777161      2.517201      4.761858
  C     -12.093097      2.009847      4.650713
  C     -12.862256      1.833540      5.779994
  C     -12.351306      2.154467      7.059872
  C     -11.071396      2.647589      7.196438
  C     -10.257542      2.836668      6.052712
  H      -3.579412      1.074009      3.198375
  H      -4.690397      2.068853      4.150411
  H      -5.020251     -0.053714      5.670913
  H      -4.442192     -0.925001      4.237997
  H      -6.873458     -0.745099      4.105580
  H      -6.830999      0.998610      4.435559
  H      -6.109140      3.172864      0.587861
  H      -6.090969     -0.637892     -1.964730
  H      -6.168238     -3.082351     -1.463678
  H      -6.290920     -3.874126      0.892657
  H      -6.342600     -2.258616      2.753329
  H      -4.640463      5.965878      5.920550
  H      -3.335436      6.678414      6.882920
  H      -2.562420      7.976232      4.908386
  H      -4.250838      8.309974      5.315502
  H      -3.726999      8.067316      2.824467
  H      -3.354210      6.376031      3.110164
  H      -8.220888      6.695132      4.928446
  H      -8.870064      5.554447      0.521454
  H      -7.387770      5.415839     -1.492719
  H      -4.967422      5.965232     -1.304509
  H      -3.993721      6.607013      0.881950
  H      -5.981986      2.127888      7.661132
  H      -6.221066      2.569445      5.951673
  H      -6.494611      4.520767      8.289860
  H      -6.675481      4.913414      6.567108
  H      -8.366231      2.831111      8.087146
  H      -8.848367      4.498599      7.863585
  H      -8.216815      3.322285      2.898937
  H     -12.468885      1.773799      3.654067
  H     -13.876551      1.445437      5.689555
  H     -12.976250      2.011191      7.941368
  H     -10.687041      2.894238      8.186935
  N      -3.550305      3.812756      3.216378
  H      -2.917089      4.448785      2.735665
  H      -4.246821      3.439587      2.570383
98
Coordinates from ORCA-job orca E -6204.163456571755
  N      -2.951033      1.541206      5.149374
  Mo     -3.456223      3.465179      5.170875
  N      -4.478449      3.310388      6.819225
  C      -3.691861      3.292601      8.061349
  C      -2.375217      2.546662      7.832432
  N      -1.693302      3.104767      6.625456
  C      -0.775585      2.153598      5.930972
  C      -1.556939      1.212068      4.973594
  C      -1.006471      4.388014      6.922978
  C      -1.291438      5.355655      5.768838
  N      -2.706226      5.236202      5.482810
  H      -1.215069      1.353904      3.931055
  H      -1.370555      0.157218      5.241069
  H      -0.074450      2.763092      5.347959
  H      -0.190817      1.599775      6.681112
  H      -1.020375      6.383689      6.057143
  H      -0.687925      5.092656      4.883877
  H      -1.422597      4.797483      7.852306
  H       0.069254      4.218017      7.071716
  H      -4.256881      2.790693      8.863044
  H      -3.495621      4.325663      8.400985
  H      -2.572141      1.487795      7.633509
  H      -1.712464      2.632404      8.710392
  C      -3.987073      1.184860      4.205545
  C      -4.900005      0.009860      4.575593
  C      -6.299742      0.154995      3.942851
  C      -6.263575      0.463982      2.468899
  N      -6.214309      1.747599      2.125835
  C      -6.168821      2.041408      0.799406
  N      -6.150602      1.198508     -0.209953
  C      -6.187527     -0.128507      0.113639
  C      -6.163720     -1.090503     -0.924928
  C      -6.194750     -2.432920     -0.620658
  C      -6.251989     -2.867350      0.724180
  C      -6.281198     -1.950796      1.754689
  C      -6.249367     -0.562569      1.474882
  C      -3.584007      6.347433      5.857288
  C      -3.543844      7.564064      4.927499
  C      -3.947242      7.261444      3.489430
  C      -5.398915      6.903467      3.282623
  N      -6.223739      6.969677      4.320654
  C      -7.533395      6.665184      4.104206
  N      -8.097852      6.302265      2.973451
  C      -7.269787      6.214822      1.887131
  C      -7.809896      5.818678      0.637143
  C      -6.993328      5.741125     -0.474916
  C      -5.615346      6.050707     -0.381110
  C      -5.062981      6.424814      0.830300
  C      -5.875197      6.513921      1.987930
  C      -5.884392      2.960142      6.914950
  C      -6.799355      4.123662      7.305816
  C      -8.263670      3.697878      7.384238
  C      -8.907207      3.345146      6.065052
  N      -8.202903      3.519599      4.957061
  C      -8.796321      3.201508      3.772778
  N     -10.000699      2.711440      3.591593
  C     -10.751754      2.522647      4.720711
  C     -12.061459      2.003973      4.596532
  C     -12.837810      1.813555      5.720189
  C     -12.338995      2.131905      7.003885
  C     -11.064611      2.636516      7.152455
  C     -10.243721      2.839894      6.016660
  H      -3.594580      1.090519      3.177567
  H      -4.704716      2.069009      4.145006
  H      -4.998007     -0.048040      5.668817
  H      -4.428879     -0.925739      4.236824
  H      -6.870913     -0.764077      4.124402
  H      -6.832035      0.981564      4.435356
  H      -6.150329      3.108057      0.555936
  H      -6.122431     -0.733086     -1.953840
  H      -6.177715     -3.173256     -1.421819
  H      -6.277983     -3.934178      0.943053
  H      -6.329077     -2.297430      2.786377
  H      -4.614498      5.973669      5.907360
  H      -3.306390      6.669130      6.878589
  H      -2.530545      7.995738      4.930217
  H      -4.215217      8.323980      5.352504
  H      -3.711780      8.125727      2.845455
  H      -3.333089      6.434838      3.106596
  H      -8.178910      6.735746      4.985875
  H      -8.874629      5.585761      0.589713
  H      -7.409984      5.439791     -1.438607
  H      -4.991950      5.996727     -1.275950
  H      -3.999349      6.659491      0.894063
  H      -5.992933      2.130480      7.640921
  H      -6.216757      2.589175      5.935898
  H      -6.497530      4.525031      8.284954
  H      -6.675247      4.926371      6.565234
  H      -8.369420      2.837000      8.065485
  H      -8.858273      4.503351      7.848523
  H      -8.178773      3.360276      2.884467
  H     -12.427200      1.770009      3.596967
  H     -13.847421      1.416087      5.621350
  H     -12.969129      1.977089      7.880019
  H     -10.690450      2.880236      8.146443
  N      -3.686307      3.845308      3.227629
  H      -3.105874      4.521167      2.736797
  H      -4.401659      3.461480      2.607684
98
Coordinates from ORCA-job orca E -6204.166716799599
  N      -2.950679      1.562564      5.119974
  Mo     -3.468522      3.474301      5.166145
  N      -4.483324      3.315805      6.817527
  C      -3.693641      3.289011      8.058008
  C      -2.379772      2.540791      7.826251
  N      -1.694916      3.104017      6.624203
  C      -0.778675      2.154898      5.924293
  C      -1.557190      1.228052      4.951837
  C      -1.008421      4.385074      6.924900
  C      -1.282802      5.350292      5.767425
  N      -2.698346      5.239403      5.469837
  H      -1.208341      1.376316      3.912585
  H      -1.378126      0.169269      5.210443
  H      -0.069455      2.765878      5.352199
  H      -0.200734      1.586444      6.669247
  H      -1.009600      6.378160      6.054271
  H      -0.672683      5.082187      4.888611
  H      -1.429082      4.798114      7.850952
  H       0.067063      4.215896      7.081235
  H      -4.259180      2.784528      8.858345
  H      -3.492883      4.319520      8.403599
  H      -2.581822      1.483317      7.621904
  H      -1.719684      2.617627      8.707328
  C      -3.994073      1.192809      4.190387
  C      -4.885768      0.004206      4.570372
  C      -6.293401      0.138427      3.948087
  C      -6.263159      0.444822      2.472460
  N      -6.217526      1.730317      2.129126
  C      -6.178619      2.026703      0.801032
  N      -6.162775      1.182700     -0.209242
  C      -6.193893     -0.145818      0.114504
  C      -6.170143     -1.107849     -0.924134
  C      -6.195488     -2.452459     -0.619199
  C      -6.246633     -2.886835      0.726621
  C      -6.275402     -1.970837      1.758057
  C      -6.249420     -0.581180      1.478571
  C      -3.567700      6.355363      5.850204
  C      -3.515152      7.579654      4.931808
  C      -3.920628      7.292023      3.490256
  C      -5.372370      6.930545      3.286382
  N      -6.192348      6.997471      4.326867
  C      -7.500844      6.683771      4.118109
  N      -8.067208      6.306969      2.993065
  C      -7.243082      6.217170      1.904744
  C      -7.783707      5.801759      0.662409
  C      -6.971671      5.717911     -0.451717
  C      -5.597412      6.041801     -0.367071
  C      -5.044070      6.436861      0.836193
  C      -5.851714      6.531049      1.997322
  C      -5.889623      2.967383      6.908989
  C      -6.804944      4.130473      7.305050
  C      -8.270150      3.703030      7.380024
  C      -8.910985      3.349052      6.058234
  N      -8.207230      3.525278      4.950188
  C      -8.798789      3.202948      3.765389
  N     -10.002665      2.706874      3.582678
  C     -10.753637      2.517109      4.710852
  C     -12.061845      1.992470      4.587076
  C     -12.837638      1.800503      5.711778
  C     -12.339525      2.123057      6.995454
  C     -11.066310      2.633308      7.143907
  C     -10.245793      2.838666      6.007837
  H      -3.613366      1.106343      3.157503
  H      -4.723464      2.065853      4.143262
  H      -4.973761     -0.052455      5.664885
  H      -4.408299     -0.926938      4.228550
  H      -6.861851     -0.781839      4.135598
  H      -6.826313      0.964048      4.441452
  H      -6.163143      3.095091      0.558220
  H      -6.133492     -0.750174     -1.953774
  H      -6.178620     -3.193078     -1.420328
  H      -6.268146     -3.955180      0.945862
  H      -6.318318     -2.318629      2.790486
  H      -4.602539      5.990920      5.895674
  H      -3.291936      6.669199      6.875283
  H      -2.499487      8.006881      4.938550
  H      -4.182779      8.338409      5.366007
  H      -3.687312      8.159899      2.850723
  H      -3.302281      6.470275      3.100552
  H      -8.144043      6.755839      5.001178
  H      -8.845466      5.558145      0.621957
  H      -7.388903      5.400800     -1.409414
  H      -4.977162      5.982601     -1.262438
  H      -3.983732      6.682871      0.891128
  H      -6.003860      2.131905      7.627551
  H      -6.221820      2.605350      5.925643
  H      -6.501994      4.528544      8.285919
  H      -6.681259      4.935715      6.566765
  H      -8.374015      2.840787      8.061096
  H      -8.867739      4.506499      7.844085
  H      -8.180674      3.362011      2.878840
  H     -12.427053      1.755042      3.587428
  H     -13.846236      1.398331      5.613733
  H     -12.969079      1.966856      7.872115
  H     -10.692884      2.880036      8.138050
  N      -3.826337      3.880198      3.248794
  H      -3.302363      4.596290      2.750524
  H      -4.559589      3.484351      2.656222
98
Coordinates from ORCA-job orca E -6204.169734371660
  N      -2.944954      1.579828      5.078988
  Mo     -3.483549      3.476531      5.155033
  N      -4.485950      3.313831      6.818177
  C      -3.687329      3.280043      8.050509
  C      -2.375162      2.533168      7.806935
  N      -1.693306      3.102909      6.607204
  C      -0.776561      2.157455      5.903358
  C      -1.551489      1.240869      4.920400
  C      -1.009695      4.384173      6.910047
  C      -1.282455      5.347556      5.753013
  N      -2.699614      5.241352      5.451061
  H      -1.197383      1.393000      3.883727
  H      -1.378414      0.179347      5.172901
  H      -0.061670      2.771059      5.340853
  H      -0.202635      1.577779      6.643115
  H      -1.009208      6.375543      6.039299
  H      -0.671076      5.079972      4.874908
  H      -1.433778      4.797748      7.834770
  H       0.065551      4.217723      7.072641
  H      -4.246367      2.768818      8.852021
  H      -3.482812      4.307039      8.405965
  H      -2.581907      1.477376      7.596027
  H      -1.711085      2.599804      8.686070
  C      -3.993146      1.192392      4.167048
  C      -4.859075     -0.011907      4.562062
  C      -6.277962      0.104829      3.958430
  C      -6.264945      0.401029      2.480453
  N      -6.231642      1.685714      2.130386
  C      -6.209009      1.975723      0.799863
  N      -6.200129      1.125917     -0.206111
  C      -6.217556     -0.201311      0.123887
  C      -6.197753     -1.167835     -0.909806
  C      -6.208191     -2.511906     -0.597286
  C      -6.240535     -2.938282      0.751276
  C      -6.265546     -2.017731      1.779075
  C      -6.254302     -0.629409      1.492619
  C      -3.562603      6.353477      5.851478
  C      -3.505116      7.601034      4.963443
  C      -3.910429      7.354808      3.513246
  C      -5.360623      6.985669      3.304270
  N      -6.180437      7.046619      4.344563
  C      -7.486706      6.722806      4.137378
  N      -8.050717      6.335589      3.014995
  C      -7.225886      6.248244      1.927387
  C      -7.761322      5.813209      0.690899
  C      -6.947428      5.723172     -0.421616
  C      -5.576921      6.063082     -0.340223
  C      -5.028832      6.483104      0.856418
  C      -5.837621      6.580543      2.017472
  C      -5.891431      2.966686      6.909528
  C      -6.804602      4.131643      7.308428
  C      -8.272492      3.709468      7.376338
  C      -8.904581      3.360462      6.048876
  N      -8.193678      3.541621      4.946173
  C      -8.774919      3.222378      3.756269
  N      -9.977205      2.724083      3.562581
  C     -10.737049      2.530026      4.683698
  C     -12.043357      2.002677      4.548962
  C     -12.827320      1.805528      5.667967
  C     -12.339108      2.125712      6.955706
  C     -11.067405      2.638451      7.115121
  C     -10.238406      2.848962      5.985993
  H      -3.628736      1.120200      3.127732
  H      -4.738763      2.049218      4.139166
  H      -4.930584     -0.063574      5.658203
  H      -4.374831     -0.938732      4.218307
  H      -6.840887     -0.816065      4.160034
  H      -6.809630      0.930383      4.453285
  H      -6.201751      3.042987      0.552366
  H      -6.175578     -0.815829     -1.941818
  H      -6.194094     -3.257096     -1.394309
  H      -6.250176     -4.005978      0.975815
  H      -6.293497     -2.360456      2.813807
  H      -4.599476      5.993153      5.885400
  H      -3.291302      6.647901      6.883858
  H      -2.490671      8.030074      4.982525
  H      -4.173959      8.345381      5.419721
  H      -3.683373      8.239078      2.894220
  H      -3.279417      6.552136      3.102680
  H      -8.130270      6.792469      5.020342
  H      -8.819876      5.556289      0.652968
  H      -7.359667      5.387348     -1.374444
  H      -4.953976      5.994740     -1.232818
  H      -3.971220      6.741829      0.907190
  H      -6.013292      2.127632      7.622903
  H      -6.224137      2.610430      5.924017
  H      -6.501264      4.526065      8.290743
  H      -6.679448      4.938987      6.572900
  H      -8.381479      2.846069      8.055230
  H      -8.871687      4.512210      7.839741
  H      -8.148933      3.385834      2.875958
  H     -12.400900      1.766943      3.546187
  H     -13.834706      1.400851      5.562141
  H     -12.974905      1.965312      7.827456
  H     -10.702259      2.882729      8.112893
  N      -3.964492      3.905829      3.273848
  H      -3.493039      4.653727      2.772384
  H      -4.714360      3.502489      2.706568
98
Coordinates from ORCA-job orca E -6204.172680857045
  N      -2.937309      1.606707      5.047262
  Mo     -3.495950      3.490192      5.154909
  N      -4.484629      3.314782      6.819719
  C      -3.683258      3.268354      8.050842
  C      -2.371500      2.520865      7.798962
  N      -1.691586      3.102441      6.603003
  C      -0.773172      2.162167      5.892821
  C      -1.546357      1.259637      4.895811
  C      -1.012945      4.385478      6.910062
  C      -1.281718      5.348907      5.750512
  N      -2.700003      5.247818      5.443531
  H      -1.186334      1.417475      3.862011
  H      -1.382480      0.194083      5.139009
  H      -0.051192      2.777413      5.340361
  H      -0.205570      1.570830      6.628864
  H      -1.009115      6.377491      6.034272
  H      -0.668212      5.079608      4.874814
  H      -1.441235      4.798211      7.833125
  H       0.064598      4.223849      7.076957
  H      -4.241037      2.749872      8.848835
  H      -3.479090      4.291773      8.415325
  H      -2.580268      1.467157      7.578128
  H      -1.709882      2.575988      8.680436
  C      -3.993459      1.200666      4.149264
  C      -4.828433     -0.022622      4.549560
  C      -6.256074      0.072126      3.964217
  C      -6.267835      0.371143      2.485601
  N      -6.260836      1.657199      2.136298
  C      -6.262158      1.950516      0.805484
  N      -6.254806      1.101846     -0.201836
  C      -6.245160     -0.225045      0.128542
  C      -6.224334     -1.192067     -0.905744
  C      -6.207244     -2.536824     -0.594713
  C      -6.212755     -2.965290      0.754062
  C      -6.238136     -2.045669      1.782272
  C      -6.254385     -0.655881      1.496407
  C      -3.555738      6.364937      5.855849
  C      -3.481297      7.613918      4.967869
  C      -3.888150      7.376793      3.516628
  C      -5.339928      7.015720      3.307106
  N      -6.158550      7.096972      4.345051
  C      -7.468190      6.776222      4.143828
  N      -8.033631      6.370597      3.028626
  C      -7.207643      6.263359      1.944359
  C      -7.744261      5.804300      0.717817
  C      -6.932473      5.689269     -0.390823
  C      -5.560859      6.029612     -0.317105
  C      -5.011993      6.474475      0.867673
  C      -5.819330      6.595522      2.027038
  C      -5.891656      2.966001      6.907025
  C      -6.807116      4.127010      7.315291
  C      -8.274611      3.705118      7.376592
  C      -8.902692      3.366465      6.043576
  N      -8.187400      3.557442      4.944067
  C      -8.765513      3.247867      3.749162
  N      -9.968487      2.750833      3.545920
  C     -10.731659      2.547701      4.663868
  C     -12.039224      2.021031      4.521683
  C     -12.827165      1.814171      5.636087
  C     -12.343167      2.123504      6.928883
  C     -11.070911      2.635142      7.096460
  C     -10.237247      2.855263      5.971337
  H      -3.644660      1.139315      3.103652
  H      -4.753212      2.041567      4.139536
  H      -4.888585     -0.078874      5.646660
  H      -4.330481     -0.939360      4.197493
  H      -6.801864     -0.857304      4.174307
  H      -6.794381      0.889988      4.465447
  H      -6.275599      3.018041      0.559753
  H      -6.223146     -0.839943     -1.937989
  H      -6.192166     -3.280562     -1.393266
  H      -6.201036     -4.033267      0.978222
  H      -6.245094     -2.389008      2.817229
  H      -4.597793      6.018210      5.886984
  H      -3.284911      6.653100      6.890102
  H      -2.462496      8.032123      4.986728
  H      -4.143034      8.363828      5.426772
  H      -3.655976      8.261963      2.901005
  H      -3.255721      6.574511      3.103034
  H      -8.114054      6.863255      5.022370
  H      -8.804334      5.547963      0.685792
  H      -7.346389      5.333692     -1.334630
  H      -4.936759      5.941222     -1.206674
  H      -3.953116      6.734032      0.910327
  H      -6.015246      2.119730      7.610897
  H      -6.225039      2.621252      5.916395
  H      -6.503098      4.513828      8.301022
  H      -6.680385      4.940292      6.584907
  H      -8.386311      2.836428      8.049611
  H      -8.873500      4.505276      7.842944
  H      -8.137598      3.418059      2.872187
  H     -12.393999      1.793648      3.515342
  H     -13.835437      1.409724      5.523474
  H     -12.982184      1.955581      7.797666
  H     -10.708627      2.871161      8.097731
  N      -4.099883      3.947251      3.320549
  H      -3.688615      4.730477      2.819899
  H      -4.865989      3.532130      2.783134
98
Coordinates from ORCA-job orca E -6204.175394625662
  N      -2.924959      1.632592      5.004733
  Mo     -3.518123      3.497240      5.149242
  N      -4.485974      3.303297      6.823454
  C      -3.677387      3.249386      8.047374
  C      -2.362911      2.512141      7.778292
  N      -1.694127      3.109104      6.584996
  C      -0.768385      2.180904      5.870716
  C      -1.534165      1.283983      4.863641
  C      -1.028701      4.397251      6.896757
  C      -1.305471      5.359792      5.738651
  N      -2.724610      5.255353      5.432234
  H      -1.168242      1.446348      3.832752
  H      -1.373466      0.216927      5.101078
  H      -0.045184      2.802548      5.327719
  H      -0.202182      1.584578      6.603619
  H      -1.038458      6.389969      6.021280
  H      -0.693173      5.095304      4.860987
  H      -1.462056      4.804379      7.819890
  H       0.049739      4.246655      7.066072
  H      -4.225218      2.717615      8.843430
  H      -3.477822      4.268805      8.424482
  H      -2.568702      1.460416      7.545977
  H      -1.696777      2.557812      8.657073
  C      -3.982673      1.199824      4.121916
  C      -4.779483     -0.046168      4.527448
  C      -6.216724      0.027485      3.965239
  C      -6.257228      0.339325      2.489455
  N      -6.269451      1.629207      2.151070
  C      -6.290222      1.933969      0.823183
  N      -6.287853      1.094561     -0.191086
  C      -6.260302     -0.235071      0.127826
  C      -6.243161     -1.193167     -0.914660
  C      -6.207007     -2.540316     -0.615590
  C      -6.188747     -2.981158      0.729619
  C      -6.209592     -2.070816      1.765530
  C      -6.245676     -0.678410      1.491305
  C      -3.578680      6.365877      5.865888
  C      -3.492013      7.627135      4.994944
  C      -3.884215      7.408792      3.536466
  C      -5.332123      7.041244      3.306936
  N      -6.167213      7.129054      4.332428
  C      -7.470397      6.794226      4.116348
  N      -8.014325      6.364168      2.997834
  C      -7.171246      6.249757      1.926865
  C      -7.683608      5.758627      0.700273
  C      -6.853224      5.629328     -0.393256
  C      -5.487143      5.989347     -0.304957
  C      -4.962740      6.468502      0.879112
  C      -5.789091      6.602000      2.024040
  C      -5.891682      2.949114      6.914854
  C      -6.805528      4.109754      7.328394
  C      -8.275955      3.698303      7.391006
  C      -8.910471      3.365625      6.058700
  N      -8.195058      3.547256      4.957395
  C      -8.778724      3.243034      3.763399
  N      -9.987324      2.762042      3.561175
  C     -10.751243      2.571256      4.680556
  C     -12.066255      2.065039      4.539324
  C     -12.856199      1.871981      5.653798
  C     -12.367023      2.174769      6.946972
  C     -11.087449      2.665909      7.113924
  C     -10.251472      2.872186      5.987970
  H      -3.652487      1.156798      3.069122
  H      -4.762048      2.016941      4.135943
  H      -4.823447     -0.108186      5.625025
  H      -4.268020     -0.950717      4.163742
  H      -6.745962     -0.910395      4.179223
  H      -6.758293      0.835092      4.479971
  H      -6.314696      3.003956      0.586651
  H      -6.259953     -0.832400     -1.944202
  H      -6.194954     -3.276440     -1.420897
  H      -6.162169     -4.051091      0.944625
  H      -6.198333     -2.422771      2.797988
  H      -4.622534      6.023911      5.882742
  H      -3.315568      6.637573      6.906106
  H      -2.472993      8.043591      5.028869
  H      -4.157417      8.371297      5.457491
  H      -3.651688      8.304349      2.936074
  H      -3.234366      6.620918      3.116928
  H      -8.131105      6.888388      4.983550
  H      -8.739710      5.487184      0.657239
  H      -7.248200      5.246627     -1.336160
  H      -4.846629      5.887277     -1.181750
  H      -3.908024      6.744254      0.931997
  H      -6.013095      2.100152      7.615802
  H      -6.228205      2.607649      5.924236
  H      -6.497116      4.493654      8.313950
  H      -6.677958      4.924299      6.598886
  H      -8.395880      2.830861      8.064666
  H      -8.866293      4.504169      7.857502
  H      -8.151374      3.402978      2.885145
  H     -12.425002      1.842774      3.532660
  H     -13.870178      1.484290      5.541441
  H     -13.007851      2.018504      7.816117
  H     -10.721448      2.897968      8.115396
  N      -4.233889      3.977753      3.366004
  H      -3.879468      4.791795      2.868974
  H      -5.012240      3.550771      2.854317
98
Coordinates from ORCA-job orca E -6204.177909632123
  N      -2.900606      1.648945      4.973616
  Mo     -3.521020      3.498548      5.149404
  N      -4.472883      3.289817      6.826646
  C      -3.663603      3.227283      8.048767
  C      -2.346838      2.496192      7.769012
  N      -1.685197      3.104376      6.577614
  C      -0.752269      2.183120      5.864185
  C      -1.511855      1.291261      4.847071
  C      -1.030466      4.397677      6.890499
  C      -1.308370      5.356901      5.728768
  N      -2.728473      5.253293      5.423139
  H      -1.135576      1.454646      3.820042
  H      -1.360036      0.222238      5.081793
  H      -0.024264      2.806982      5.330184
  H      -0.192423      1.582907      6.598801
  H      -1.042404      6.388388      6.007274
  H      -0.697658      5.090676      4.851056
  H      -1.469890      4.803777      7.810944
  H       0.048937      4.255971      7.063564
  H      -4.207397      2.686309      8.841612
  H      -3.467692      4.244094      8.434326
  H      -2.550685      1.446099      7.527441
  H      -1.679763      2.534274      8.647290
  C      -3.960559      1.186992      4.105079
  C      -4.716677     -0.081666      4.517462
  C      -6.166430     -0.043860      3.985057
  C      -6.255230      0.272340      2.512732
  N      -6.320168      1.561553      2.181308
  C      -6.385235      1.868857      0.857329
  N      -6.384379      1.034079     -0.160526
  C      -6.307152     -0.293984      0.151183
  C      -6.290782     -1.248340     -0.895439
  C      -6.204534     -2.593052     -0.604274
  C      -6.133864     -3.037897      0.737343
  C      -6.152891     -2.131720      1.776541
  C      -6.239858     -0.740734      1.509508
  C      -3.578384      6.361805      5.873751
  C      -3.492968      7.628365      5.007902
  C      -3.905140      7.432534      3.551952
  C      -5.359566      7.093327      3.326579
  N      -6.194444      7.206917      4.349106
  C      -7.502087      6.887114      4.135319
  N      -8.049615      6.446298      3.023198
  C      -7.206275      6.307978      1.955747
  C      -7.720323      5.798311      0.738138
  C      -6.887015      5.635657     -0.348738
  C      -5.516749      5.983364     -0.264483
  C      -4.992317      6.484576      0.908894
  C      -5.820859      6.647933      2.047861
  C      -5.879525      2.933839      6.911628
  C      -6.790198      4.095265      7.329552
  C      -8.263156      3.697102      7.379294
  C      -8.887931      3.388822      6.037591
  N      -8.157867      3.583205      4.947673
  C      -8.730148      3.304981      3.743251
  N      -9.940024      2.838088      3.519269
  C     -10.718568      2.634738      4.627296
  C     -12.036807      2.142383      4.463027
  C     -12.841954      1.937190      5.564098
  C     -12.365864      2.214000      6.867713
  C     -11.083999      2.691095      7.057033
  C     -10.232481      2.908666      5.944541
  H      -3.646869      1.154586      3.046749
  H      -4.755131      1.982212      4.136421
  H      -4.743113     -0.148490      5.615435
  H      -4.187628     -0.971389      4.142498
  H      -6.664707     -0.995628      4.210496
  H      -6.716649      0.749507      4.513323
  H      -6.449270      2.937169      0.626500
  H      -6.348325     -0.885796     -1.922101
  H      -6.193139     -3.324949     -1.413417
  H      -6.068111     -4.106153      0.946842
  H      -6.101204     -2.485123      2.806273
  H      -4.623130      6.023834      5.894011
  H      -3.306864      6.625218      6.913035
  H      -2.469377      8.032144      5.031371
  H      -4.145509      8.375019      5.483859
  H      -3.666004      8.336091      2.965342
  H      -3.266951      6.644579      3.112969
  H      -8.164687      7.003057      4.997894
  H      -8.779280      5.536315      0.698736
  H      -7.282974      5.235095     -1.282710
  H      -4.871192      5.850818     -1.133906
  H      -3.934571      6.750841      0.958328
  H      -6.004472      2.080525      7.606069
  H      -6.212904      2.600320      5.917368
  H      -6.483181      4.469267      8.318927
  H      -6.653433      4.913949      6.606555
  H      -8.399207      2.824469      8.042045
  H      -8.847951      4.505388      7.849112
  H      -8.092105      3.475458      2.873725
  H     -12.385147      1.940441      3.448907
  H     -13.858024      1.559910      5.433455
  H     -13.018578      2.048673      7.726503
  H     -10.727603      2.903187      8.065929
  N      -4.332595      3.995100      3.419820
  H      -4.033973      4.832831      2.927921
  H      -5.117153      3.551393      2.933642
98
Coordinates from ORCA-job orca E -6204.180240981522
  N      -2.886654      1.667071      4.934948
  Mo     -3.534681      3.499693      5.144572
  N      -4.468550      3.276303      6.829695
  C      -3.654952      3.207777      8.047124
  C      -2.336540      2.487260      7.753362
  N      -1.685261      3.105174      6.562679
  C      -0.745774      2.191847      5.849221
  C      -1.498459      1.302486      4.825292
  C      -1.040588      4.403110      6.875935
  C      -1.321327      5.356656      5.711717
  N      -2.743218      5.254195      5.408599
  H      -1.110307      1.464972      3.802634
  H      -1.354389      0.232529      5.060289
  H      -0.016204      2.820086      5.323130
  H      -0.189133      1.589090      6.583857
  H      -1.054001      6.389325      5.984876
  H      -0.713827      5.086489      4.833012
  H      -1.485335      4.808584      7.794306
  H       0.038774      4.269802      7.052355
  H      -4.191697      2.656894      8.837770
  H      -3.461878      4.221937      8.441472
  H      -2.538256      1.438395      7.503946
  H      -1.663539      2.519707      8.627830
  C      -3.945128      1.173642      4.083116
  C      -4.658453     -0.117478      4.504164
  C      -6.119329     -0.112227      4.000390
  C      -6.243607      0.213320      2.533531
  N      -6.342036      1.503761      2.215947
  C      -6.433692      1.821458      0.896244
  N      -6.431484      0.996667     -0.130040
  C      -6.322798     -0.332754      0.166945
  C      -6.304889     -1.276463     -0.889205
  C      -6.186429     -2.621537     -0.611984
  C      -6.083224     -3.077320      0.724281
  C      -6.102808     -2.181458      1.772573
  C      -6.223415     -0.790614      1.520238
  C      -3.587873      6.360747      5.872782
  C      -3.495900      7.635229      5.020778
  C      -3.912929      7.453807      3.564466
  C      -5.370285      7.128622      3.343653
  N      -6.203224      7.263400      4.364769
  C      -7.512482      6.951308      4.154644
  N      -8.062816      6.494705      3.050516
  C      -7.221736      6.333780      1.985192
  C      -7.737327      5.802188      0.777887
  C      -6.903484      5.612706     -0.304468
  C      -5.532850      5.957660     -0.226669
  C      -5.007287      6.483005      0.935771
  C      -5.834916      6.670155      2.070812
  C      -5.875673      2.921215      6.914336
  C      -6.781794      4.085138      7.334229
  C      -8.258257      3.697978      7.374891
  C      -8.876536      3.406706      6.026908
  N      -8.135551      3.602325      4.945093
  C      -8.700475      3.341389      3.734524
  N      -9.913873      2.892820      3.496411
  C     -10.704297      2.689444      4.595800
  C     -12.027465      2.218232      4.415923
  C     -12.844763      2.014860      5.508527
  C     -12.375689      2.272290      6.818084
  C     -11.089122      2.728407      7.022096
  C     -10.225587      2.944068      5.918918
  H      -3.648022      1.152983      3.019638
  H      -4.758399      1.946365      4.131669
  H      -4.664789     -0.188129      5.602177
  H      -4.114737     -0.992549      4.116673
  H      -6.591313     -1.076226      4.230049
  H      -6.675664      0.666293      4.544261
  H      -6.521799      2.890497      0.676187
  H      -6.387297     -0.905710     -1.911492
  H      -6.174071     -3.345560     -1.428184
  H      -5.992011     -4.145866      0.922443
  H      -6.026450     -2.542981      2.798286
  H      -4.633859      6.026575      5.887905
  H      -3.313992      6.611264      6.914540
  H      -2.468680      8.030183      5.046200
  H      -4.142237      8.382851      5.503328
  H      -3.672259      8.364001      2.988085
  H      -3.280587      6.669572      3.112673
  H      -8.174296      7.087157      5.014934
  H      -8.797169      5.544334      0.742891
  H      -7.300378      5.193614     -1.229915
  H      -4.886773      5.802619     -1.090552
  H      -3.950067      6.748236      0.979570
  H      -6.001729      2.066954      7.607412
  H      -6.208889      2.589000      5.919804
  H      -6.475475      4.453136      8.325702
  H      -6.638608      4.905563      6.615280
  H      -8.407363      2.823019      8.031020
  H      -8.838984      4.509448      7.846004
  H      -8.053037      3.512231      2.871473
  H     -12.369807      2.031261      3.397475
  H     -13.864675      1.654359      5.366326
  H     -13.037908      2.109035      7.669728
  H     -10.738291      2.926374      8.035327
  N      -4.442093      4.004951      3.468463
  H      -4.192414      4.858925      2.977792
  H      -5.234062      3.545424      3.007604
98
Coordinates from ORCA-job orca E -6204.182509698332
  N      -2.867505      1.677840      4.905472
  Mo     -3.540101      3.495011      5.143384
  N      -4.459866      3.258731      6.833210
  C      -3.645615      3.187749      8.049297
  C      -2.324342      2.478787      7.746169
  N      -1.682881      3.104084      6.554806
  C      -0.735323      2.196255      5.844844
  C      -1.480208      1.305360      4.816541
  C      -1.048353      4.407968      6.865201
  C      -1.329740      5.352330      5.694414
  N      -2.753495      5.250236      5.393524
  H      -1.078042      1.463474      3.798637
  H      -1.344691      0.235316      5.055775
  H      -0.004330      2.827136      5.324259
  H      -0.182498      1.594098      6.582668
  H      -1.060174      6.386697      5.958879
  H      -0.724429      5.074069      4.816723
  H      -1.499608      4.815634      7.779514
  H       0.031198      4.283541      7.046007
  H      -4.177478      2.629022      8.837677
  H      -3.457538      4.200990      8.448852
  H      -2.522186      1.429998      7.491855
  H      -1.646844      2.509546      8.617374
  C      -3.923237      1.148216      4.070672
  C      -4.589785     -0.165487      4.500797
  C      -6.062087     -0.197142      4.030910
  C      -6.229459      0.147515      2.573491
  N      -6.374387      1.439820      2.283576
  C      -6.501360      1.779283      0.972654
  N      -6.495720      0.974668     -0.069884
  C      -6.343836     -0.356606      0.198409
  C      -6.322920     -1.279044     -0.876194
  C      -6.161015     -2.625033     -0.627561
  C      -6.015346     -3.102671      0.697024
  C      -6.036580     -2.227709      1.763062
  C      -6.201940     -0.836984      1.540647
  C      -3.593570      6.357941      5.865809
  C      -3.498292      7.635590      5.020012
  C      -3.928007      7.462778      3.566092
  C      -5.391487      7.159120      3.357300
  N      -6.217422      7.322577      4.379904
  C      -7.530967      7.025709      4.180058
  N      -8.091824      6.555033      3.087657
  C      -7.259153      6.364112      2.021159
  C      -7.785508      5.813558      0.827705
  C      -6.957875      5.590463     -0.253368
  C      -5.583817      5.920962     -0.188717
  C      -5.047567      6.466696      0.959388
  C      -5.868101      6.686636      2.093521
  C      -5.868505      2.905764      6.914910
  C      -6.769182      4.074670      7.332680
  C      -8.249748      3.701729      7.359331
  C      -8.859236      3.431798      6.002699
  N      -8.106204      3.630769      4.929957
  C      -8.663583      3.391683      3.711911
  N      -9.880909      2.963675      3.457242
  C     -10.684145      2.757822      4.546782
  C     -12.012485      2.308821      4.349224
  C     -12.842600      2.104544      5.432449
  C     -12.381073      2.338587      6.748959
  C     -11.089531      2.772375      6.969805
  C     -10.213181      2.988727      5.877017
  H      -3.640832      1.133891      3.002933
  H      -4.753696      1.896871      4.129639
  H      -4.572873     -0.242198      5.598369
  H      -4.030660     -1.023216      4.097306
  H      -6.500963     -1.176914      4.259479
  H      -6.625157      0.559644      4.597866
  H      -6.623994      2.849237      0.774585
  H      -6.438203     -0.891699     -1.888990
  H      -6.146698     -3.333044     -1.457694
  H      -5.890079     -4.171675      0.872271
  H      -5.927730     -2.605944      2.779762
  H      -4.640298      6.025525      5.881732
  H      -3.313598      6.601078      6.907662
  H      -2.466489      8.019350      5.039477
  H      -4.134112      8.388331      5.508011
  H      -3.684093      8.376273      2.995673
  H      -3.311233      6.675326      3.101513
  H      -8.187008      7.187236      5.040465
  H      -8.847915      5.567617      0.802388
  H      -7.363087      5.155256     -1.167414
  H      -4.942020      5.737317     -1.049879
  H      -3.987845      6.721019      0.992909
  H      -5.997735      2.052458      7.608566
  H      -6.199604      2.572929      5.919852
  H      -6.465848      4.436712      8.327214
  H      -6.615225      4.895888      6.617425
  H      -8.415257      2.823835      8.007134
  H      -8.825483      4.516735      7.831215
  H      -8.006155      3.563817      2.856522
  H     -12.348541      2.139535      3.325609
  H     -13.866582      1.761458      5.277141
  H     -13.053471      2.175098      7.592560
  H     -10.744284      2.952774      7.988220
  N      -4.531602      3.998968      3.515326
  H      -4.331461      4.865484      3.022608
  H      -5.327942      3.519955      3.081835
98
Coordinates from ORCA-job orca E -6204.184628600578
  N      -2.852022      1.688512      4.876189
  Mo     -3.543455      3.491742      5.141544
  N      -4.452278      3.245894      6.834895
  C      -3.640005      3.172026      8.051368
  C      -2.316378      2.472325      7.741410
  N      -1.681926      3.103137      6.550057
  C      -0.728166      2.199215      5.843419
  C      -1.465742      1.307471      4.811266
  C      -1.054444      4.411244      6.857524
  C      -1.332650      5.346366      5.679497
  N      -2.757513      5.246697      5.379118
  H      -1.046734      1.459310      3.799289
  H      -1.340676      0.237626      5.056553
  H       0.004586      2.832395      5.328321
  H      -0.179206      1.597314      6.584213
  H      -1.058556      6.381688      5.935480
  H      -0.729340      5.058158      4.803724
  H      -1.512457      4.822064      7.767093
  H       0.024807      4.292870      7.044638
  H      -4.170516      2.607146      8.835854
  H      -3.455915      4.184004      8.456163
  H      -2.510903      1.423681      7.482604
  H      -1.634565      2.501363      8.609371
  C      -3.903044      1.124309      4.057203
  C      -4.524066     -0.209553      4.494670
  C      -6.006212     -0.278130      4.058121
  C      -6.219657      0.083654      2.611119
  N      -6.416495      1.374657      2.347378
  C      -6.582593      1.732040      1.045688
  N      -6.571656      0.946554     -0.011046
  C      -6.370418     -0.383611      0.230106
  C      -6.343928     -1.285825     -0.861204
  C      -6.132609     -2.629988     -0.639851
  C      -5.940989     -3.125079      0.672286
  C      -5.966319     -2.269662      1.754391
  C      -6.182422     -0.882091      1.560548
  C      -3.593672      6.356368      5.857480
  C      -3.493047      7.635417      5.016659
  C      -3.936758      7.466720      3.566120
  C      -5.407470      7.184443      3.373512
  N      -6.222762      7.378866      4.399597
  C      -7.542283      7.101473      4.213730
  N      -8.118941      6.620318      3.134138
  C      -7.298982      6.396516      2.064474
  C      -7.843326      5.832609      0.885303
  C      -7.027294      5.574992     -0.197120
  C      -5.648181      5.883857     -0.148707
  C      -5.094061      6.443751      0.984834
  C      -5.902056      6.698342      2.120608
  C      -5.864202      2.899555      6.913257
  C      -6.759116      4.071987      7.330704
  C      -8.242885      3.709418      7.342106
  C      -8.841126      3.459406      5.976556
  N      -8.075308      3.663119      4.914434
  C      -8.622986      3.443904      3.688513
  N      -9.842326      3.034222      3.415628
  C     -10.659063      2.823468      4.493897
  C     -11.990403      2.393009      4.276868
  C     -12.833620      2.184689      5.349305
  C     -12.382122      2.395741      6.672985
  C     -11.087648      2.811049      6.912515
  C     -10.198243      3.031569      5.831564
  H      -3.632738      1.114658      2.986002
  H      -4.750513      1.850243      4.123786
  H      -4.483227     -0.293785      5.591117
  H      -3.950794     -1.049407      4.073928
  H      -6.409952     -1.273736      4.283223
  H      -6.575380      0.454328      4.649942
  H      -6.744821      2.800462      0.868265
  H      -6.494952     -0.884881     -1.864018
  H      -6.114289     -3.323283     -1.482268
  H      -5.777013     -4.192298      0.825334
  H      -5.821868     -2.661626      2.761551
  H      -4.640684      6.025093      5.874128
  H      -3.308676      6.591563      6.899873
  H      -2.456662      8.007465      5.029959
  H      -4.116783      8.395287      5.508307
  H      -3.689517      8.380219      2.996888
  H      -3.339483      6.672029      3.091513
  H      -8.187778      7.290762      5.076709
  H      -8.909520      5.603718      0.871816
  H      -7.446231      5.128651     -1.099853
  H      -5.016101      5.672343     -1.010551
  H      -4.030695      6.682271      1.005858
  H      -5.996531      2.046843      7.607018
  H      -6.193606      2.566541      5.917749
  H      -6.461148      4.426865      8.329257
  H      -6.594905      4.895731      6.620950
  H      -8.422205      2.827175      7.980101
  H      -8.816689      4.525023      7.815523
  H      -7.954862      3.620283      2.842265
  H     -12.318522      2.240931      3.248043
  H     -13.860077      1.856117      5.179467
  H     -13.065003      2.229301      7.507305
  H     -10.750092      2.973972      7.936412
  N      -4.609161      3.990345      3.560317
  H      -4.450344      4.862039      3.061347
  H      -5.410295      3.494195      3.156243
98
Coordinates from ORCA-job orca E -6204.186606939339
  N      -2.839283      1.695922      4.849580
  Mo     -3.546282      3.487316      5.138154
  N      -4.456416      3.231859      6.830753
  C      -3.650669      3.155745      8.050945
  C      -2.323971      2.464314      7.742328
  N      -1.691063      3.100245      6.553435
  C      -0.728394      2.197877      5.855948
  C      -1.454876      1.304332      4.818511
  C      -1.070135      4.411963      6.862085
  C      -1.337441      5.338743      5.675601
  N      -2.761957      5.242919      5.367502
  H      -1.013957      1.446592      3.814418
  H      -1.343559      0.234840      5.072582
  H       0.009020      2.831590      5.347896
  H      -0.186726      1.596438      6.602664
  H      -1.059185      6.374804      5.923777
  H      -0.731082      5.039373      4.805884
  H      -1.539765      4.825983      7.764299
  H       0.007748      4.298081      7.062329
  H      -4.182991      2.584314      8.829514
  H      -3.472572      4.166417      8.462140
  H      -2.515082      1.415693      7.479316
  H      -1.642123      2.491574      8.610044
  C      -3.879978      1.099597      4.039872
  C      -4.460609     -0.252577      4.478170
  C      -5.949267     -0.351253      4.066937
  C      -6.196770      0.036411      2.631585
  N      -6.440573      1.326171      2.400078
  C      -6.631450      1.708170      1.107919
  N      -6.606548      0.948028      0.033033
  C      -6.361680     -0.380755      0.241675
  C      -6.320191     -1.256402     -0.870309
  C      -6.063474     -2.598547     -0.681852
  C      -5.839827     -3.116622      0.616438
  C      -5.878801     -2.287198      1.718533
  C      -6.141769     -0.903221      1.558912
  C      -3.594853      6.357309      5.843512
  C      -3.483375      7.631831      4.997605
  C      -3.931428      7.461387      3.547196
  C      -5.407335      7.195450      3.359789
  N      -6.218573      7.416496      4.384119
  C      -7.541169      7.152217      4.205174
  N      -8.125524      6.659844      3.134325
  C      -7.312113      6.410352      2.065870
  C      -7.866813      5.835312      0.896418
  C      -7.057291      5.549036     -0.183577
  C      -5.674696      5.839563     -0.142612
  C      -5.110302      6.411841      0.980497
  C      -5.911518      6.695833      2.114857
  C      -5.871729      2.891503      6.910079
  C      -6.760418      4.068038      7.330037
  C      -8.248495      3.716402      7.342827
  C      -8.856137      3.476328      5.978475
  N      -8.093632      3.671241      4.912877
  C      -8.652217      3.462290      3.689280
  N      -9.879942      3.075493      3.419982
  C     -10.694101      2.874302      4.501831
  C     -12.034298      2.468733      4.289939
  C     -12.874638      2.270148      5.366858
  C     -12.411050      2.465947      6.689415
  C     -11.107532      2.857257      6.924071
  C     -10.220831      3.068312      5.838644
  H      -3.614754      1.094616      2.966970
  H      -4.743032      1.801864      4.106973
  H      -4.400386     -0.346208      5.573145
  H      -3.875322     -1.075363      4.040620
  H      -6.323148     -1.361597      4.278448
  H      -6.524947      0.354054      4.684489
  H      -6.827487      2.774869      0.954918
  H      -6.496186     -0.837481     -1.861994
  H      -6.033564     -3.272125     -1.539894
  H      -5.639930     -4.181518      0.743073
  H      -5.709010     -2.697355      2.714909
  H      -4.643035      6.028996      5.856793
  H      -3.312012      6.591389      6.886808
  H      -2.443107      7.993336      5.008563
  H      -4.099045      8.400639      5.485319
  H      -3.678804      8.372545      2.976716
  H      -3.347137      6.658156      3.070574
  H      -8.181533      7.364608      5.066874
  H      -8.935496      5.619707      0.888293
  H      -7.483952      5.092722     -1.078089
  H      -5.047879      5.603837     -1.002321
  H      -4.044152      6.637020      0.995308
  H      -6.005239      2.041793      7.607273
  H      -6.204510      2.555440      5.916773
  H      -6.459372      4.418950      8.329257
  H      -6.591950      4.892430      6.621263
  H      -8.433502      2.833347      7.979285
  H      -8.814216      4.535690      7.818986
  H      -7.986561      3.631009      2.840620
  H     -12.371774      2.327557      3.261930
  H     -13.908131      1.961062      5.201113
  H     -13.092123      2.307196      7.527051
  H     -10.760710      3.009029      7.947184
  N      -4.659629      3.979478      3.588824
  H      -4.532270      4.852991      3.083605
  H      -5.457856      3.465876      3.203619
98
Coordinates from ORCA-job orca E -6204.188492939466
  N      -2.837022      1.709058      4.813902
  Mo     -3.551923      3.488755      5.130733
  N      -4.464513      3.226386      6.821883
  C      -3.665960      3.143790      8.045879
  C      -2.337915      2.455344      7.738804
  N      -1.702416      3.095277      6.554660
  C      -0.736652      2.193952      5.861155
  C      -1.455796      1.303768      4.817197
  C      -1.082860      4.406409      6.867178
  C      -1.334768      5.328623      5.674398
  N      -2.757946      5.241703      5.356610
  H      -0.991756      1.434922      3.822105
  H      -1.362231      0.234438      5.078923
  H       0.005625      2.828094      5.361118
  H      -0.201269      1.588978      6.609445
  H      -1.048846      6.363685      5.917896
  H      -0.726164      5.017995      4.810298
  H      -1.563349      4.823299      7.762425
  H      -0.007810      4.292517      7.081913
  H      -4.203628      2.567210      8.816442
  H      -3.489971      4.151275      8.465806
  H      -2.528396      1.407839      7.470298
  H      -1.656389      2.477643      8.607037
  C      -3.868681      1.087799      4.012383
  C      -4.413439     -0.278336      4.451349
  C      -5.906662     -0.402261      4.061097
  C      -6.184349     -0.003172      2.633825
  N      -6.474152      1.280191      2.417044
  C      -6.687931      1.666683      1.129283
  N      -6.646324      0.917690      0.047670
  C      -6.356287     -0.404577      0.241777
  C      -6.295644     -1.267897     -0.878555
  C      -5.991901     -2.602717     -0.704382
  C      -5.739144     -3.124100      0.586812
  C      -5.796445     -2.306073      1.696828
  C      -6.107739     -0.930319      1.551986
  C      -3.587385      6.360041      5.831710
  C      -3.464038      7.632909      4.986720
  C      -3.918577      7.462248      3.538361
  C      -5.399782      7.208966      3.362949
  N      -6.201878      7.455419      4.389636
  C      -7.528798      7.203302      4.225467
  N      -8.126280      6.699756      3.166972
  C      -7.323848      6.424301      2.095930
  C      -7.894705      5.838535      0.939135
  C      -7.097739      5.527768     -0.143960
  C      -5.712370      5.803694     -0.118747
  C      -5.131839      6.385232      0.992034
  C      -5.919726      6.694821      2.129835
  C      -5.884278      2.899792      6.903069
  C      -6.763962      4.080378      7.326428
  C      -8.253664      3.735430      7.339041
  C      -8.864748      3.501588      5.975549
  N      -8.102709      3.691344      4.909152
  C      -8.665931      3.488058      3.686697
  N      -9.898159      3.115091      3.418736
  C     -10.712266      2.918970      4.501613
  C     -12.057002      2.527340      4.291215
  C     -12.896303      2.332451      5.369372
  C     -12.426866      2.517782      6.691184
  C     -11.118696      2.896039      6.924464
  C     -10.233263      3.103984      5.837799
  H      -3.606783      1.087762      2.938145
  H      -4.745913      1.770585      4.081413
  H      -4.334534     -0.379660      5.544414
  H      -3.819944     -1.087170      3.999060
  H      -6.254693     -1.424005      4.261912
  H      -6.488011      0.279957      4.698660
  H      -6.918763      2.727719      0.985103
  H      -6.494799     -0.845559     -1.864411
  H      -5.946846     -3.267853     -1.568334
  H      -5.501797     -4.182746      0.701774
  H      -5.603359     -2.719542      2.687555
  H      -4.636701      6.035417      5.839952
  H      -3.308366      6.589023      6.877031
  H      -2.420697      7.985356      4.995939
  H      -4.071046      8.408721      5.473841
  H      -3.662502      8.369651      2.963790
  H      -3.346940      6.650482      3.060868
  H      -8.158470      7.438276      5.089737
  H      -8.965704      5.635164      0.941981
  H      -7.536692      5.064091     -1.029298
  H      -5.097647      5.550561     -0.982919
  H      -4.063437      6.599794      0.994907
  H      -6.019983      2.051975      7.602449
  H      -6.222220      2.563297      5.912231
  H      -6.463496      4.426821      8.327485
  H      -6.590976      4.906468      6.620557
  H      -8.441156      2.850397      7.971854
  H      -8.815161      4.555068      7.819161
  H      -7.999537      3.651134      2.837196
  H     -12.399083      2.393191      3.263855
  H     -13.933429      2.034013      5.204638
  H     -13.107180      2.361392      7.529701
  H     -10.767632      3.039444      7.947334
  N      -4.709307      3.977514      3.615661
  H      -4.603238      4.848721      3.101263
  H      -5.511962      3.455197      3.253376
98
Coordinates from ORCA-job orca E -6204.191373813008
  N      -2.831341      1.713961      4.785150
  Mo     -3.554831      3.483556      5.125302
  N      -4.475083      3.215085      6.814111
  C      -3.683148      3.128299      8.042847
  C      -2.352309      2.444257      7.740067
  N      -1.714294      3.087871      6.558815
  C      -0.743410      2.185565      5.872959
  C      -1.454855      1.293449      4.826141
  C      -1.096834      4.400047      6.874638
  C      -1.333193      5.316994      5.674693
  N      -2.755377      5.236390      5.346325
  H      -0.969211      1.408229      3.839238
  H      -1.380127      0.225412      5.099178
  H       0.003505      2.817740      5.377417
  H      -0.213985      1.580505      6.625523
  H      -1.042040      6.351898      5.912156
  H      -0.720564      4.995744      4.817476
  H      -1.589880      4.820059      7.761595
  H      -0.024813      4.286764      7.105183
  H      -4.223779      2.545095      8.806642
  H      -3.512390      4.133186      8.471356
  H      -2.541051      1.397141      7.468015
  H      -1.673075      2.463763      8.610039
  C      -3.852141      1.064984      3.990788
  C      -4.360968     -0.313591      4.432577
  C      -5.857976     -0.461623      4.064483
  C      -6.165141     -0.045302      2.647745
  N      -6.498979      1.232057      2.455780
  C      -6.735035      1.632007      1.175712
  N      -6.677128      0.902368      0.081552
  C      -6.343132     -0.413094      0.251042
  C      -6.263003     -1.255390     -0.883811
  C      -5.913725     -2.582386     -0.734376
  C      -5.633928     -3.116092      0.546028
  C      -5.709547     -2.318735      1.669757
  C      -6.067503     -0.951259      1.550156
  C      -3.581691      6.359591      5.816320
  C      -3.449826      7.625979      4.962153
  C      -3.914480      7.455560      3.516646
  C      -5.399952      7.219192      3.351491
  N      -6.192122      7.489398      4.379404
  C      -7.524118      7.251964      4.228583
  N      -8.135781      6.742444      3.181056
  C      -7.343392      6.444809      2.108416
  C      -7.930640      5.854247      0.962892
  C      -7.146087      5.520534     -0.122384
  C      -5.756188      5.777869     -0.110618
  C      -5.159810      6.363426      0.988666
  C      -5.935159      6.696673      2.129431
  C      -5.897986      2.899955      6.899625
  C      -6.768587      4.086394      7.325419
  C      -8.259836      3.750367      7.341358
  C      -8.875721      3.522751      5.979596
  N      -8.113841      3.705731      4.911638
  C      -8.681735      3.510184      3.690636
  N      -9.919496      3.154218      3.424396
  C     -10.733415      2.965272      4.509000
  C     -12.083744      2.591774      4.301285
  C     -12.922340      2.402987      5.380807
  C     -12.446733      2.576313      6.701724
  C     -11.133249      2.937339      6.932735
  C     -10.248598      3.139468      5.844469
  H      -3.591144      1.067414      2.915911
  H      -4.742718      1.725686      4.055935
  H      -4.263112     -0.419470      5.523779
  H      -3.760778     -1.109821      3.967014
  H      -6.182225     -1.493838      4.251556
  H      -6.443386      0.196643      4.723123
  H      -7.000963      2.687115      1.049540
  H      -6.483809     -0.823370     -1.860783
  H      -5.853404     -3.231450     -1.609486
  H      -5.360502     -4.168184      0.641650
  H      -5.494940     -2.742280      2.651699
  H      -4.632654      6.039844      5.822412
  H      -3.306234      6.593069      6.861175
  H      -2.403914      7.969573      4.963422
  H      -4.048000      8.408768      5.449387
  H      -3.652769      8.358567      2.937926
  H      -3.355054      6.634525      3.038943
  H      -8.144504      7.506229      5.093782
  H      -9.004812      5.665730      0.975509
  H      -7.597753      5.053609     -0.999170
  H      -5.152492      5.507550     -0.977948
  H      -4.088033      6.563723      0.981064
  H      -6.037196      2.055258      7.602080
  H      -6.243116      2.563333      5.911362
  H      -6.465399      4.429928      8.326885
  H      -6.591596      4.912593      6.620351
  H      -8.449676      2.864252      7.971982
  H      -8.814791      4.571758      7.825823
  H      -8.014586      3.666780      2.839640
  H     -12.430808      2.465919      3.274720
  H     -13.963699      2.118560      5.217602
  H     -13.126381      2.424422      7.541594
  H     -10.777527      3.071436      7.955149
  N      -4.738444      3.967197      3.630420
  H      -4.649825      4.834946      3.104956
  H      -5.542404      3.434360      3.285421
98
Coordinates from ORCA-job orca E -6204.192494773850
  N      -2.814089      1.720206      4.757983
  Mo     -3.560489      3.470795      5.121328
  N      -4.479791      3.191482      6.809956
  C      -3.691063      3.098848      8.037429
  C      -2.356906      2.425232      7.728636
  N      -1.722634      3.082002      6.554285
  C      -0.741029      2.192790      5.870617
  C      -1.439687      1.298733      4.819911
  C      -1.118882      4.397346      6.878561
  C      -1.347811      5.309536      5.674346
  N      -2.767077      5.227463      5.335178
  H      -0.941819      1.408333      3.838531
  H      -1.370972      0.231546      5.097304
  H       0.002719      2.833180      5.381441
  H      -0.208517      1.588366      6.621688
  H      -1.059383      6.345808      5.908749
  H      -0.729314      4.985364      4.823009
  H      -1.626630      4.814026      7.758702
  H      -0.049965      4.292288      7.124531
  H      -4.227585      2.503001      8.794369
  H      -3.526894      4.098560      8.480014
  H      -2.542304      1.380393      7.446129
  H      -1.676622      2.436794      8.597704
  C      -3.824187      1.051287      3.971236
  C      -4.298687     -0.338635      4.415565
  C      -5.799534     -0.510658      4.071880
  C      -6.138926     -0.090313      2.663634
  N      -6.501705      1.181854      2.487638
  C      -6.763271      1.586258      1.214264
  N      -6.705676      0.866327      0.113780
  C      -6.341874     -0.442964      0.266755
  C      -6.259571     -1.273619     -0.875967
  C      -5.879348     -2.593638     -0.742853
  C      -5.569854     -3.130691      0.528694
  C      -5.646999     -2.344720      1.660135
  C      -6.036942     -0.984934      1.557482
  C      -3.598913      6.341633      5.809087
  C      -3.455042      7.614507      4.966860
  C      -3.918001      7.461245      3.518171
  C      -5.404933      7.240403      3.349975
  N      -6.195027      7.525664      4.374458
  C      -7.530674      7.302816      4.222991
  N      -8.148254      6.793278      3.178799
  C      -7.356920      6.480696      2.110156
  C      -7.950172      5.889131      0.969243
  C      -7.168559      5.541934     -0.113204
  C      -5.775349      5.787492     -0.102831
  C      -5.172390      6.372827      0.992445
  C      -5.944665      6.718719      2.130983
  C      -5.904969      2.889948      6.893180
  C      -6.765556      4.085169      7.315541
  C      -8.259606      3.763496      7.333800
  C      -8.881090      3.540381      5.973742
  N      -8.120735      3.712658      4.902420
  C      -8.693777      3.520467      3.683297
  N      -9.936153      3.178616      3.421337
  C     -10.749380      3.002838      4.508939
  C     -12.104777      2.646820      4.305804
  C     -12.942427      2.471018      5.388472
  C     -12.460729      2.640325      6.707943
  C     -11.142179      2.984593      6.934631
  C     -10.258378      3.173650      5.843144
  H      -3.573948      1.064825      2.893687
  H      -4.728011      1.689364      4.048615
  H      -4.181438     -0.444820      5.504730
  H      -3.692772     -1.123587      3.938906
  H      -6.104596     -1.548902      4.257027
  H      -6.384025      0.132810      4.745754
  H      -7.051316      2.637021      1.100096
  H      -6.503558     -0.838878     -1.845790
  H      -5.817356     -3.234200     -1.623885
  H      -5.271918     -4.177013      0.611268
  H      -5.409139     -2.771250      2.634990
  H      -4.649879      6.021655      5.795706
  H      -3.339450      6.566752      6.859939
  H      -2.408081      7.953353      4.974420
  H      -4.050957      8.394548      5.460992
  H      -3.648203      8.367564      2.947997
  H      -3.362355      6.640368      3.034176
  H      -8.149056      7.569900      5.084991
  H      -9.027245      5.711517      0.981881
  H      -7.625401      5.075539     -0.987148
  H      -5.175599      5.509870     -0.969569
  H      -4.098626      6.565640      0.982881
  H      -6.054764      2.048263      7.597105
  H      -6.251336      2.554164      5.905161
  H      -6.460008      4.428171      8.316570
  H      -6.582620      4.909052      6.609530
  H      -8.456565      2.879905      7.965573
  H      -8.805815      4.589148      7.820194
  H      -8.027346      3.667574      2.829759
  H     -12.456500      2.523638      3.280229
  H     -13.987710      2.200310      5.228732
  H     -13.139544      2.498678      7.550432
  H     -10.782149      3.115633      7.956187
  N      -4.779262      3.943787      3.655269
  H      -4.693414      4.800453      3.112739
  H      -5.591540      3.410946      3.330293
98
Coordinates from ORCA-job orca E -6204.193553686909
  N      -2.797989      1.732341      4.726336
  Mo     -3.557613      3.465888      5.116871
  N      -4.486924      3.170205      6.794456
  C      -3.709368      3.062154      8.026028
  C      -2.371698      2.397636      7.717529
  N      -1.734866      3.071185      6.556806
  C      -0.742299      2.195789      5.874002
  C      -1.427586      1.303832      4.813585
  C      -1.143663      4.387182      6.896825
  C      -1.352670      5.299186      5.687435
  N      -2.767419      5.222831      5.329719
  H      -0.912303      1.409436      3.840744
  H      -1.369698      0.236493      5.092814
  H      -0.000133      2.844400      5.393778
  H      -0.209907      1.589256      6.623368
  H      -1.061977      6.334700      5.922375
  H      -0.724851      4.968302      4.845747
  H      -1.671197      4.800386      7.766797
  H      -0.079624      4.287968      7.164111
  H      -4.249998      2.453800      8.769299
  H      -3.551125      4.055186      8.484962
  H      -2.552873      1.356329      7.420403
  H      -1.696715      2.398545      8.590643
  C      -3.801431      1.048902      3.942354
  C      -4.242905     -0.352716      4.383270
  C      -5.744030     -0.551245      4.054784
  C      -6.104170     -0.135290      2.650808
  N      -6.498307      1.128291      2.479611
  C      -6.773537      1.528600      1.208151
  N      -6.702951      0.812950      0.105814
  C      -6.309140     -0.488431      0.254011
  C      -6.213149     -1.314288     -0.890838
  C      -5.803292     -2.626032     -0.761910
  C      -5.477049     -3.158712      0.507221
  C      -5.566387     -2.376761      1.640596
  C      -5.986638     -1.025406      1.542432
  C      -3.602905      6.335214      5.801517
  C      -3.456572      7.610332      4.963461
  C      -3.929013      7.462946      3.517206
  C      -5.418450      7.252961      3.358211
  N      -6.202004      7.558924      4.382526
  C      -7.539819      7.346477      4.240237
  N      -8.166611      6.828392      3.205831
  C      -7.382581      6.494815      2.137285
  C      -7.985757      5.893986      1.006686
  C      -7.211620      5.526871     -0.075867
  C      -5.816394      5.761119     -0.075660
  C      -5.203647      6.354507      1.009908
  C      -5.967856      6.720498      2.148524
  C      -5.916412      2.887746      6.868825
  C      -6.761689      4.090638      7.299111
  C      -8.259001      3.785704      7.327158
  C      -8.894200      3.574446      5.972155
  N      -8.140232      3.735928      4.894416
  C      -8.725398      3.553616      3.680015
  N      -9.974873      3.233048      3.428158
  C     -10.782310      3.069584      4.522547
  C     -12.144721      2.736373      4.330268
  C     -12.975864      2.570916      5.420182
  C     -12.480393      2.728256      6.735951
  C     -11.154907      3.050948      6.952014
  C     -10.277532      3.229073      5.853002
  H      -3.554143      1.069700      2.863895
  H      -4.710065      1.669313      4.024454
  H      -4.112015     -0.462769      5.470459
  H      -3.629093     -1.124664      3.896001
  H      -6.027985     -1.595960      4.237696
  H      -6.333685      0.078547      4.736933
  H      -7.086736      2.572193      1.096396
  H      -6.470865     -0.882572     -1.858606
  H      -5.730993     -3.263398     -1.644449
  H      -5.156250     -4.198695      0.586710
  H      -5.315584     -2.800581      2.613541
  H      -4.653455      6.013357      5.781222
  H      -3.349667      6.558124      6.854279
  H      -2.407931      7.943977      4.965739
  H      -4.046380      8.391704      5.462812
  H      -3.656783      8.368954      2.947917
  H      -3.383936      6.638187      3.028859
  H      -8.152168      7.631408      5.101324
  H      -9.063982      5.725499      1.026803
  H      -7.676188      5.053558     -0.942013
  H      -5.223301      5.468379     -0.942875
  H      -4.128371      6.538450      0.992855
  H      -6.079423      2.044034      7.567041
  H      -6.264101      2.563314      5.878159
  H      -6.447989      4.426257      8.299637
  H      -6.573138      4.915030      6.595709
  H      -8.460887      2.902076      7.956879
  H      -8.791648      4.615236      7.821407
  H      -8.063659      3.689419      2.820354
  H     -12.506818      2.621434      3.307352
  H     -14.026442      2.317220      5.268712
  H     -13.154056      2.594461      7.584361
  H     -10.784227      3.172678      7.970851
  N      -4.796567      3.937722      3.669683
  H      -4.719681      4.791516      3.121315
  H      -5.619017      3.410451      3.365455
98
Coordinates from ORCA-job orca E -6204.194649714743
  N      -2.789257      1.747979      4.692256
  Mo     -3.565886      3.463873      5.111809
  N      -4.495255      3.152814      6.786220
  C      -3.721818      3.029299      8.017757
  C      -2.381287      2.374592      7.700829
  N      -1.746668      3.064700      6.549688
  C      -0.745522      2.204293      5.863004
  C      -1.422246      1.313258      4.798545
  C      -1.165352      4.381218      6.903709
  C      -1.361519      5.293864      5.693482
  N      -2.773697      5.221458      5.323955
  H      -0.894370      1.411886      3.831830
  H      -1.374809      0.246403      5.081884
  H      -0.008851      2.862657      5.387863
  H      -0.207142      1.597006      6.607511
  H      -1.068942      6.328636      5.929594
  H      -0.728760      4.959516      4.856971
  H      -1.708262      4.789558      7.766490
  H      -0.105081      4.286564      7.187728
  H      -4.261303      2.406002      8.749217
  H      -3.568524      4.014304      8.495508
  H      -2.560160      1.336912      7.389529
  H      -1.705632      2.364081      8.573555
  C      -3.786172      1.052164      3.915414
  C      -4.194950     -0.359637      4.356619
  C      -5.697225     -0.584935      4.049198
  C      -6.084577     -0.173984      2.651382
  N      -6.512660      1.079344      2.489903
  C      -6.810004      1.476797      1.222723
  N      -6.732144      0.767356      0.116789
  C      -6.304194     -0.523861      0.255143
  C      -6.198642     -1.342027     -0.894221
  C      -5.753924     -2.642850     -0.775022
  C      -5.401479     -3.171401      0.488535
  C      -5.499532     -2.396773      1.626301
  C      -5.955505     -1.056848      1.538322
  C      -3.611697      6.329565      5.798746
  C      -3.456272      7.609783      4.971161
  C      -3.929362      7.470011      3.523938
  C      -5.419132      7.262114      3.366368
  N      -6.201998      7.580301      4.387801
  C      -7.540197      7.370684      4.247381
  N      -8.168538      6.843654      3.218108
  C      -7.385464      6.498031      2.152544
  C      -7.990478      5.889389      1.026975
  C      -7.217596      5.512448     -0.053411
  C      -5.821959      5.744471     -0.055821
  C      -5.207285      6.344553      1.025213
  C      -5.970001      6.720411      2.161734
  C      -5.928808      2.889465      6.857097
  C      -6.761686      4.099992      7.289636
  C      -8.261453      3.806795      7.323518
  C      -8.904492      3.598976      5.971588
  N      -8.153377      3.748448      4.890026
  C      -8.745038      3.566922      3.678547
  N      -9.999095      3.259187      3.432883
  C     -10.804270      3.109555      4.531074
  C     -12.171288      2.791501      4.345197
  C     -12.999804      2.639162      5.439286
  C     -12.496947      2.794994      6.752688
  C     -11.166824      3.103552      6.962458
  C     -10.292017      3.268349      5.859144
  H      -3.549372      1.082299      2.834870
  H      -4.703825      1.657200      4.011679
  H      -4.046639     -0.470976      5.441420
  H      -3.574889     -1.119358      3.858352
  H      -5.960483     -1.635004      4.232929
  H      -6.288136      0.032345      4.741529
  H      -7.150083      2.512214      1.118125
  H      -6.477038     -0.913302     -1.857420
  H      -5.674140     -3.274770     -1.660898
  H      -5.053290     -4.202761      0.560256
  H      -5.228226     -2.817929      2.594688
  H      -4.662281      6.009217      5.764733
  H      -3.369716      6.543851      6.855955
  H      -2.406371      7.939324      4.976725
  H      -4.043100      8.390570      5.474842
  H      -3.656703      8.378623      2.958988
  H      -3.385782      6.646704      3.031485
  H      -8.151587      7.666448      5.105712
  H      -9.068822      5.723084      1.048687
  H      -7.683581      5.033470     -0.915871
  H      -5.230649      5.445877     -0.922290
  H      -4.132174      6.528305      1.005553
  H      -6.103171      2.046132      7.553149
  H      -6.278441      2.571049      5.865396
  H      -6.443169      4.432621      8.289671
  H      -6.568957      4.923845      6.586880
  H      -8.467133      2.924525      7.954183
  H      -8.785969      4.639626      7.821066
  H      -8.085270      3.694493      2.815273
  H     -12.538843      2.677284      3.323992
  H     -14.053985      2.397128      5.292766
  H     -13.168433      2.671430      7.604513
  H     -10.790748      3.224096      7.979611
  N      -4.829671      3.935639      3.685856
  H      -4.744476      4.774669      3.116358
  H      -5.671885      3.425268      3.408804
98
Coordinates from ORCA-job orca E -6204.195871284227
  N      -2.774593      1.753019      4.665741
  Mo     -3.565014      3.453953      5.108158
  N      -4.506869      3.130544      6.772484
  C      -3.743541      2.991791      8.008548
  C      -2.398376      2.347141      7.692633
  N      -1.761654      3.052667      6.552159
  C      -0.748133      2.205559      5.867586
  C      -1.412640      1.309877      4.800479
  C      -1.191085      4.370429      6.920514
  C      -1.365265      5.280848      5.705029
  N      -2.772850      5.212744      5.317473
  H      -0.867664      1.395828      3.842133
  H      -1.378704      0.245023      5.093331
  H      -0.016718      2.872062      5.395681
  H      -0.205763      1.602031      6.612403
  H      -1.070167      6.315042      5.940274
  H      -0.723590      4.938864      4.878633
  H      -1.755081      4.776052      7.770720
  H      -0.136398      4.279893      7.227545
  H      -4.286360      2.354676      8.725567
  H      -3.598787      3.969488      8.503534
  H      -2.571551      1.312159      7.368959
  H      -1.727652      2.328849      8.568967
  C      -3.765234      1.042438      3.893685
  C      -4.140444     -0.378078      4.335433
  C      -5.641442     -0.630524      4.045353
  C      -6.052096     -0.219530      2.654188
  N      -6.515069      1.023037      2.505417
  C      -6.831431      1.421750      1.243223
  N      -6.741618      0.722896      0.131407
  C      -6.279598     -0.557973      0.257368
  C      -6.161969     -1.365428     -0.898496
  C      -5.684715     -2.655938     -0.791730
  C      -5.310893     -3.184794      0.465657
  C      -5.419460     -2.420464      1.609306
  C      -5.908336     -1.090920      1.533896
  C      -3.614813      6.320966      5.786461
  C      -3.454174      7.603028      4.961781
  C      -3.933644      7.474476      3.515616
  C      -5.424851      7.276464      3.361644
  N      -6.203183      7.607238      4.382585
  C      -7.543845      7.410313      4.245422
  N      -8.179239      6.885125      3.219273
  C      -7.400658      6.527697      2.154080
  C      -8.014077      5.923151      1.030985
  C      -7.247823      5.538108     -0.051006
  C      -5.850045      5.757829     -0.058051
  C      -5.226793      6.351437      1.021475
  C      -5.982827      6.735163      2.160188
  C      -5.944437      2.886103      6.837841
  C      -6.763524      4.104189      7.275290
  C      -8.264752      3.822609      7.322567
  C      -8.921454      3.617028      5.977065
  N      -8.176972      3.750555      4.888875
  C      -8.781071      3.573058      3.683061
  N     -10.041594      3.284253      3.448587
  C     -10.839685      3.150949      4.553926
  C     -12.212828      2.854246      4.380158
  C     -13.034246      2.718836      5.481190
  C     -12.518142      2.870495      6.790048
  C     -11.181991      3.158515      6.988131
  C     -10.314207      3.306040      5.877229
  H      -3.531928      1.076309      2.812336
  H      -4.688877      1.632422      3.992486
  H      -3.976744     -0.490366      5.418021
  H      -3.513265     -1.125295      3.827205
  H      -5.881913     -1.687018      4.224375
  H      -6.236184     -0.029277      4.748393
  H      -7.200831      2.448107      1.148448
  H      -6.457914     -0.936810     -1.856570
  H      -5.596039     -3.279572     -1.682600
  H      -4.937815     -4.208333      0.527998
  H      -5.132061     -2.842377      2.572867
  H      -4.665031      6.000444      5.743637
  H      -3.382262      6.534366      6.845823
  H      -2.402377      7.926154      4.963438
  H      -4.034653      8.385010      5.471209
  H      -3.657378      8.385576      2.956683
  H      -3.398216      6.650265      3.016567
  H      -8.151408      7.716306      5.102794
  H      -9.094275      5.768014      1.055252
  H      -7.720950      5.063862     -0.912029
  H      -5.264918      5.455883     -0.928076
  H      -4.150035      6.525993      0.998312
  H      -6.130177      2.042949      7.531130
  H      -6.296479      2.575572      5.844578
  H      -6.435239      4.434643      8.273169
  H      -6.569120      4.926685      6.571015
  H      -8.471193      2.942287      7.956247
  H      -8.777765      4.660072      7.824155
  H      -8.127231      3.689199      2.813456
  H     -12.590497      2.742679      3.362295
  H     -14.093102      2.493378      5.343684
  H     -13.183975      2.760288      7.647682
  H     -10.795685      3.276048      8.001904
  N      -4.837849      3.923794      3.690948
  H      -4.754839      4.757317      3.110763
  H      -5.683611      3.412307      3.426192
98
Coordinates from ORCA-job orca E -6204.196790847504
  N      -2.762636      1.768485      4.635097
  Mo     -3.569794      3.451303      5.105405
  N      -4.513998      3.108976      6.763975
  C      -3.755262      2.954579      8.000469
  C      -2.405787      2.323129      7.677433
  N      -1.772887      3.046521      6.546591
  C      -0.748991      2.215959      5.858515
  C      -1.404745      1.318424      4.789146
  C      -1.213513      4.365402      6.930420
  C      -1.375656      5.278194      5.714920
  N      -2.780425      5.212249      5.314325
  H      -0.847552      1.395875      3.837218
  H      -1.381808      0.254820      5.087465
  H      -0.026190      2.893330      5.389193
  H      -0.198422      1.614999      6.599335
  H      -1.080635      6.311843      5.952656
  H      -0.727584      4.934983      4.894008
  H      -1.793688      4.764365      7.772892
  H      -0.163539      4.279377      7.253993
  H      -4.295950      2.301234      8.704298
  H      -3.618683      3.923775      8.514134
  H      -2.573600      1.291707      7.339797
  H      -1.735262      2.295950      8.553708
  C      -3.748641      1.044607      3.869402
  C      -4.089757     -0.385065      4.310131
  C      -5.589555     -0.666734      4.040217
  C      -6.026900     -0.259312      2.656560
  N      -6.521352      0.972449      2.520910
  C      -6.859693      1.371058      1.264659
  N      -6.764166      0.681544      0.147379
  C      -6.271154     -0.588847      0.260166
  C      -6.147134     -1.386290     -0.901932
  C      -5.639645     -2.666118     -0.808154
  C      -5.240931     -3.193668      0.441995
  C      -5.354609     -2.438842      1.591484
  C      -5.874236     -1.120521      1.529503
  C      -3.625841      6.318356      5.781993
  C      -3.457613      7.603124      4.963739
  C      -3.939570      7.477889      3.517947
  C      -5.431779      7.285408      3.368344
  N      -6.207165      7.634603      4.385603
  C      -7.548681      7.442962      4.252870
  N      -8.188233      6.906321      3.235206
  C      -7.412795      6.529565      2.174194
  C      -8.030446      5.912219      1.060509
  C      -7.267189      5.508396     -0.017265
  C      -5.868267      5.721299     -0.029329
  C      -5.240902      6.326874      1.041058
  C      -5.993794      6.729936      2.175532
  C      -5.954603      2.881267      6.824826
  C      -6.761351      4.106394      7.265057
  C      -8.264879      3.838355      7.316520
  C      -8.928056      3.642479      5.973230
  N      -8.185339      3.767110      4.882401
  C      -8.795156      3.598802      3.678780
  N     -10.060013      3.326950      3.448526
  C     -10.856564      3.203724      4.556543
  C     -12.234041      2.925372      4.387432
  C     -13.053645      2.798739      5.491472
  C     -12.531350      2.941493      6.798530
  C     -11.190939      3.212184      6.991969
  C     -10.324864      3.350129      5.878038
  H      -3.525010      1.086343      2.786197
  H      -4.678315      1.619097      3.978725
  H      -3.909096     -0.498175      5.389939
  H      -3.455500     -1.118488      3.790934
  H      -5.806632     -1.728556      4.218007
  H      -6.186238     -0.079909      4.753611
  H      -7.254919      2.388393      1.180357
  H      -6.462876     -0.958879     -1.854128
  H      -5.546265     -3.282320     -1.703713
  H      -4.844475     -4.208890      0.494156
  H      -5.048105     -2.860071      2.549352
  H      -4.675856      5.998736      5.727703
  H      -3.403293      6.526804      6.844539
  H      -2.404177      7.921013      4.965392
  H      -4.033884      8.386640      5.475572
  H      -3.661577      8.389046      2.959819
  H      -3.408387      6.652103      3.017248
  H      -8.153770      7.764881      5.106306
  H      -9.111226      5.762520      1.088496
  H      -7.743548      5.024123     -0.870849
  H      -5.285482      5.404530     -0.895851
  H      -4.163303      6.496135      1.013823
  H      -6.151582      2.037961      7.514818
  H      -6.307679      2.578284      5.829982
  H      -6.428045      4.432684      8.262410
  H      -6.561528      4.928258      6.562014
  H      -8.477146      2.958379      7.948136
  H      -8.768607      4.678429      7.823172
  H      -8.142546      3.705647      2.806742
  H     -12.616233      2.820073      3.370882
  H     -14.115815      2.586979      5.357627
  H     -13.195686      2.838027      7.658684
  H     -10.799870      3.322595      8.004388
  N      -4.863225      3.919701      3.705961
  H      -4.778316      4.741457      3.109316
  H      -5.727801      3.426524      3.470659
98
Coordinates from ORCA-job orca E -6204.197760508672
  N      -2.754173      1.778599      4.605266
  Mo     -3.577023      3.445261      5.099435
  N      -4.525661      3.086805      6.751733
  C      -3.772182      2.917687      7.989336
  C      -2.418638      2.297116      7.662030
  N      -1.787391      3.036265      6.540717
  C      -0.753705      2.221002      5.850215
  C      -1.401052      1.320580      4.780106
  C      -1.237376      4.355242      6.939662
  C      -1.386399      5.271066      5.725068
  N      -2.787453      5.207560      5.309915
  H      -0.830832      1.386622      3.835220
  H      -1.390675      0.259067      5.086297
  H      -0.039810      2.908658      5.382439
  H      -0.194862      1.623917      6.587977
  H      -1.091907      6.303899      5.966834
  H      -0.731427      4.927836      4.909728
  H      -1.832788      4.748089      7.774327
  H      -0.192285      4.271590      7.279478
  H      -4.312649      2.250563      8.680393
  H      -3.643035      3.879113      8.519281
  H      -2.581185      1.268947      7.311898
  H      -1.749467      2.262353      8.539017
  C      -3.735266      1.043413      3.844496
  C      -4.047556     -0.393186      4.284718
  C      -5.543637     -0.702986      4.025742
  C      -5.997641     -0.304936      2.645042
  N      -6.523109      0.913893      2.513377
  C      -6.876490      1.305663      1.259149
  N      -6.767770      0.620961      0.140189
  C      -6.242889     -0.636756      0.249002
  C      -6.103996     -1.428963     -0.915077
  C      -5.565427     -2.696034     -0.825203
  C      -5.149316     -3.215784      0.422749
  C      -5.276755     -2.465773      1.573998
  C      -5.828246     -1.160510      1.515988
  C      -3.636309      6.311686      5.776969
  C      -3.459232      7.601686      4.969231
  C      -3.942456      7.487294      3.522966
  C      -5.435537      7.301658      3.374765
  N      -6.208879      7.663051      4.389544
  C      -7.551345      7.478396      4.258013
  N      -8.194244      6.937722      3.244294
  C      -7.421229      6.548927      2.185967
  C      -8.042900      5.928100      1.076202
  C      -7.282465      5.514134      0.000451
  C      -5.882431      5.719873     -0.013619
  C      -5.251041      6.327775      1.053340
  C      -6.001016      6.741137      2.185793
  C      -5.969621      2.877575      6.809722
  C      -6.761288      4.111739      7.251391
  C      -8.266907      3.859123      7.314242
  C      -8.943759      3.665857      5.977246
  N      -8.208948      3.771663      4.879073
  C      -8.832030      3.604549      3.681718
  N     -10.102571      3.351019      3.464099
  C     -10.890918      3.247866      4.579759
  C     -12.273736      2.990211      4.424018
  C     -13.085156      2.883594      5.535971
  C     -12.549154      3.026408      6.837852
  C     -11.203325      3.277355      7.018152
  C     -10.345366      3.394648      5.895773
  H      -3.518682      1.091088      2.760033
  H      -4.671240      1.605838      3.962354
  H      -3.856547     -0.505210      5.362954
  H      -3.404348     -1.114378      3.759415
  H      -5.738774     -1.768937      4.204525
  H      -6.146494     -0.127791      4.743328
  H      -7.298508      2.312202      1.178332
  H      -6.433866     -1.007866     -1.865444
  H      -5.460726     -3.308325     -1.722185
  H      -4.728544     -4.221090      0.471841
  H      -4.956707     -2.881055      2.530147
  H      -4.685901      5.993532      5.709919
  H      -3.424608      6.512115      6.843327
  H      -2.403906      7.913196      4.973010
  H      -4.030621      8.385447      5.485946
  H      -3.661370      8.401107      2.970732
  H      -3.415706      6.662416      3.016987
  H      -8.154434      7.810678      5.108871
  H      -9.124500      5.784579      1.105380
  H      -7.762081      5.027759     -0.850258
  H      -5.302242      5.396517     -0.879313
  H      -4.172708      6.492089      1.024257
  H      -6.177502      2.035911      7.498509
  H      -6.325078      2.580124      5.814324
  H      -6.418849      4.437018      8.245991
  H      -6.557873      4.930407      6.545701
  H      -8.483256      2.983132      7.950189
  H      -8.757853      4.705142      7.822979
  H      -8.186293      3.695571      2.803144
  H     -12.666318      2.884323      3.411210
  H     -14.151400      2.687811      5.412474
  H     -13.207073      2.938777      7.704462
  H     -10.801699      3.387964      8.026665
  N      -4.885345      3.912658      3.714207
  H      -4.795442      4.721432      3.100465
  H      -5.765041      3.435698      3.503511
98
Coordinates from ORCA-job orca E -6204.198669453516
  N      -2.741148      1.788655      4.578534
  Mo     -3.579175      3.438320      5.097635
  N      -4.533213      3.062830      6.743108
  C      -3.783905      2.881729      7.981661
  C      -2.425524      2.274550      7.650766
  N      -1.798328      3.029025      6.537050
  C      -0.754247      2.228726      5.844567
  C      -1.393593      1.321965      4.776669
  C      -1.258264      4.349345      6.949385
  C      -1.395442      5.267216      5.734707
  N      -2.793162      5.203831      5.305968
  H      -0.810446      1.372928      3.838855
  H      -1.396813      0.263668      5.093865
  H      -0.051366      2.926132      5.374880
  H      -0.185197      1.638266      6.579903
  H      -1.102511      6.299822      5.979094
  H      -0.733197      4.923869      4.925245
  H      -1.868796      4.736549      7.775854
  H      -0.218102      4.269119      7.304636
  H      -4.322079      2.200633      8.661208
  H      -3.663944      3.836350      8.526089
  H      -2.581089      1.248708      7.290413
  H      -1.757533      2.235436      8.528453
  C      -3.719079      1.038723      3.825361
  C      -3.997030     -0.404586      4.266464
  C      -5.490421     -0.742603      4.028642
  C      -5.972699     -0.342056      2.658472
  N      -6.529561      0.865094      2.548461
  C      -6.906302      1.263338      1.303199
  N      -6.792747      0.595215      0.174398
  C      -6.237064     -0.650904      0.261640
  C      -6.092764     -1.425706     -0.913459
  C      -5.524585     -2.681161     -0.845150
  C      -5.083287     -3.206160      0.391761
  C      -5.214499     -2.472927      1.553289
  C      -5.795921     -1.179936      1.517371
  C      -3.646806      6.306229      5.769009
  C      -3.465319      7.598156      4.965615
  C      -3.953113      7.487648      3.520397
  C      -5.447003      7.305471      3.376776
  N      -6.217980      7.684370      4.387228
  C      -7.561169      7.503562      4.260073
  N      -8.207294      6.951199      3.254707
  C      -7.436643      6.544409      2.200951
  C      -8.061826      5.911970      1.099748
  C      -7.304478      5.482174      0.027589
  C      -5.903710      5.682382      0.008704
  C      -5.268852      6.300484      1.067606
  C      -6.015811      6.730693      2.196527
  C      -5.979781      2.871526      6.798982
  C      -6.757864      4.115123      7.238540
  C      -8.265287      3.876738      7.305779
  C      -8.947556      3.691273      5.971022
  N      -8.214226      3.788897      4.870493
  C      -8.842552      3.631032      3.675294
  N     -10.117144      3.394114      3.461654
  C     -10.903838      3.299381      4.579730
  C     -12.290357      3.058659      4.428564
  C     -13.099863      2.959385      5.543103
  C     -12.558328      3.093435      6.843096
  C     -11.208923      3.328485      7.018935
  C     -10.352696      3.437472      5.893881
  H      -3.510914      1.090519      2.739414
  H      -4.659285      1.586457      3.949371
  H      -3.788399     -0.515884      5.341541
  H      -3.347956     -1.112389      3.730461
  H      -5.661297     -1.813854      4.201010
  H      -6.093759     -0.185450      4.759841
  H      -7.353994      2.260121      1.239904
  H      -6.442770     -1.001052     -1.854847
  H      -5.416043     -3.280127     -1.750647
  H      -4.639658     -4.202368      0.424090
  H      -4.874852     -2.892324      2.500704
  H      -4.695523      5.987002      5.692032
  H      -3.444933      6.504439      6.837636
  H      -2.408714      7.905505      4.966488
  H      -4.032429      8.382688      5.486058
  H      -3.671470      8.401818      2.969116
  H      -3.430254      6.661508      3.012405
  H      -8.162595      7.850489      5.106554
  H      -9.143820      5.773102      1.132389
  H      -7.787035      4.987356     -0.816571
  H      -5.325757      5.346660     -0.854356
  H      -4.189980      6.460323      1.034512
  H      -6.198907      2.032946      7.488007
  H      -6.337818      2.578287      5.803315
  H      -6.410009      4.440109      8.231436
  H      -6.547997      4.929854      6.530298
  H      -8.487534      3.001971      7.940948
  H      -8.746830      4.726218      7.818015
  H      -8.198095      3.715607      2.793940
  H     -12.687021      2.959076      3.417161
  H     -14.168922      2.776079      5.423140
  H     -13.214687      3.011580      7.711951
  H     -10.802983      3.432166      8.026022
  N      -4.902962      3.901319      3.725053
  H      -4.811740      4.695486      3.091631
  H      -5.795073      3.436258      3.540449
98
Coordinates from ORCA-job orca E -6204.199403836697
  N      -2.733946      1.797457      4.551857
  Mo     -3.586913      3.431267      5.093645
  N      -4.543103      3.038576      6.733985
  C      -3.796014      2.846212      7.972213
  C      -2.433397      2.251377      7.636430
  N      -1.810771      3.019890      6.529748
  C      -0.758334      2.233906      5.834235
  C      -1.391738      1.322159      4.769136
  C      -1.278646      4.340589      6.954822
  C      -1.408371      5.262764      5.742532
  N      -2.803307      5.199461      5.302854
  H      -0.797540      1.358974      3.837747
  H      -1.407929      0.267074      5.096305
  H      -0.066780      2.940964      5.362523
  H      -0.178678      1.649689      6.566239
  H      -1.117833      6.294892      5.991563
  H      -0.740629      4.922457      4.936288
  H      -1.900069      4.721666      7.776119
  H      -0.242315      4.262114      7.321205
  H      -4.331179      2.152540      8.641393
  H      -3.683763      3.794186      8.529591
  H      -2.582710      1.228088      7.266349
  H      -1.765411      2.208049      8.513844
  C      -3.708988      1.036794      3.804548
  C      -3.960577     -0.411781      4.245002
  C      -5.448947     -0.776255      4.015765
  C      -5.944647     -0.385004      2.648095
  N      -6.526290      0.810499      2.541771
  C      -6.913840      1.203777      1.298287
  N      -6.788269      0.541253      0.167533
  C      -6.206951     -0.693478      0.250977
  C      -6.048827     -1.462203     -0.926369
  C      -5.455621     -2.706239     -0.861753
  C      -5.001979     -3.225509      0.373397
  C      -5.145859     -2.497841      1.536969
  C      -5.753013     -1.216630      1.504852
  C      -3.660524      6.300187      5.764041
  C      -3.470076      7.596277      4.970065
  C      -3.959499      7.494224      3.524776
  C      -5.454444      7.321246      3.383926
  N      -6.221960      7.717570      4.390365
  C      -7.566515      7.545969      4.265527
  N      -8.217795      6.987810      3.266566
  C      -7.450796      6.563376      2.217186
  C      -8.081609      5.924523      1.122963
  C      -7.328023      5.478017      0.054981
  C      -5.925509      5.667380      0.033248
  C      -5.285089      6.290934      1.085610
  C      -6.028160      6.738017      2.210355
  C      -5.991843      2.863054      6.789373
  C      -6.755548      4.116505      7.226174
  C      -8.264994      3.894756      7.301911
  C      -8.957671      3.714815      5.971988
  N      -8.230384      3.798243      4.866109
  C      -8.869110      3.646571      3.675812
  N     -10.148087      3.427862      3.471644
  C     -10.928415      3.347864      4.595229
  C     -12.318967      3.126815      4.454143
  C     -13.122139      3.041982      5.574486
  C     -12.570088      3.171685      6.870354
  C     -11.216606      3.387951      7.036243
  C     -10.366587      3.481543      5.905054
  H      -3.508627      1.093474      2.717289
  H      -4.653241      1.573526      3.936865
  H      -3.743843     -0.521019      5.318748
  H      -3.302877     -1.107974      3.704391
  H      -5.599285     -1.850520      4.188903
  H      -6.058476     -0.229827      4.749860
  H      -7.382822      2.190881      1.238539
  H      -6.408893     -1.042336     -1.866348
  H      -5.336624     -3.300600     -1.768951
  H      -4.538730     -4.212798      0.402793
  H      -4.796563     -2.912699      2.483099
  H      -4.708528      5.982379      5.674109
  H      -3.469674      6.491635      6.835980
  H      -2.411566      7.896831      4.972078
  H      -4.032015      8.381667      5.494593
  H      -3.673521      8.409202      2.976957
  H      -3.442306      6.666886      3.013599
  H      -8.165022      7.907509      5.107876
  H      -9.164794      5.794490      1.157659
  H      -7.815056      4.978563     -0.783788
  H      -5.350418      5.319261     -0.826727
  H      -4.204874      6.442532      1.049956
  H      -6.220424      2.028475      7.480019
  H      -6.352706      2.571532      5.794386
  H      -6.399651      4.442523      8.215746
  H      -6.540688      4.925801      6.513422
  H      -8.493219      3.023804      7.939932
  H      -8.734280      4.749912      7.815808
  H      -8.230143      3.718486      2.789664
  H     -12.723539      3.030138      3.445707
  H     -14.194261      2.873566      5.462464
  H     -13.221504      3.101309      7.743969
  H     -10.802532      3.488366      8.040199
  N      -4.925547      3.891653      3.734532
  H      -4.831246      4.670790      3.082485
  H      -5.832352      3.445439      3.577826
98
Coordinates from ORCA-job orca E -6204.200116629142
  N      -2.726137      1.805863      4.527481
  Mo     -3.591762      3.425003      5.091053
  N      -4.550942      3.016752      6.725752
  C      -3.806347      2.814488      7.964070
  C      -2.439735      2.230588      7.624746
  N      -1.821001      3.011160      6.524168
  C      -0.761449      2.237697      5.825714
  C      -1.390412      1.320268      4.765037
  C      -1.295365      4.331976      6.960391
  C      -1.417287      5.258140      5.750128
  N      -2.809232      5.195170      5.299631
  H      -0.784994      1.340052      3.840497
  H      -1.421480      0.269275      5.104015
  H      -0.081301      2.953115      5.350297
  H      -0.171125      1.660467      6.554751
  H      -1.128937      6.289698      6.003814
  H      -0.744118      4.920708      4.947222
  H      -1.926343      4.708297      7.776721
  H      -0.262633      4.254236      7.336797
  H      -4.339258      2.109927      8.623778
  H      -3.701250      3.756820      8.532285
  H      -2.582962      1.209290      7.246732
  H      -1.772218      2.184563      8.502305
  C      -3.699751      1.033971      3.787386
  C      -3.924153     -0.418878      4.228311
  C      -5.407113     -0.809716      4.010048
  C      -5.919947     -0.423826      2.647521
  N      -6.527999      0.758964      2.551605
  C      -6.930195      1.151392      1.312716
  N      -6.795349      0.499100      0.177033
  C      -6.187311     -0.723354      0.250000
  C      -6.018425     -1.481204     -0.932920
  C      -5.399110     -2.712794     -0.878837
  C      -4.929113     -3.230191      0.350953
  C      -5.082607     -2.512846      1.519701
  C      -5.716364     -1.244516      1.498349
  C      -3.670003      6.294843      5.757598
  C      -3.473085      7.594168      4.971025
  C      -3.966655      7.498452      3.526671
  C      -5.462724      7.332112      3.391135
  N      -6.225870      7.745429      4.394292
  C      -7.571451      7.580677      4.274093
  N      -8.228192      7.014871      3.282882
  C      -7.466012      6.573518      2.236943
  C      -8.103159      5.927450      1.150474
  C      -7.354623      5.465121      0.085600
  C      -5.950991      5.645203      0.059114
  C      -5.304471      6.275275      1.103980
  C      -6.042307      6.738591      2.225607
  C      -6.001612      2.856343      6.780059
  C      -6.752330      4.120351      7.208900
  C      -8.263391      3.913558      7.291424
  C      -8.964121      3.736213      5.965403
  N      -8.241447      3.806103      4.855337
  C      -8.888611      3.659328      3.668928
  N     -10.171381      3.457306      3.472379
  C     -10.946700      3.390625      4.600321
  C     -12.340635      3.187077      4.467298
  C     -13.138766      3.115635      5.592204
  C     -12.578204      3.242141      6.884722
  C     -11.221337      3.441787      7.042647
  C     -10.376231      3.521039      5.906615
  H      -3.507159      1.093528      2.698862
  H      -4.647367      1.560747      3.927000
  H      -3.697710     -0.526043      5.300288
  H      -3.258770     -1.103349      3.682213
  H      -5.535956     -1.887188      4.180999
  H      -6.021024     -0.276526      4.750089
  H      -7.421235      2.128253      1.262008
  H      -6.391687     -1.063258     -1.868546
  H      -5.271972     -3.298804     -1.790362
  H      -4.445454     -4.207744      0.372102
  H      -4.720571     -2.926098      2.461688
  H      -4.717047      5.977327      5.656824
  H      -3.488879      6.481084      6.832132
  H      -2.412893      7.888882      4.971797
  H      -4.029477      8.380648      5.499726
  H      -3.678477      8.413880      2.980772
  H      -3.455254      6.669794      3.012503
  H      -8.166195      7.956186      5.113117
  H      -9.186999      5.804783      1.188838
  H      -7.846657      4.960355     -0.747154
  H      -5.379754      5.285272     -0.798656
  H      -4.223507      6.420059      1.064099
  H      -6.239229      2.027857      7.474820
  H      -6.364309      2.562863      5.786255
  H      -6.389826      4.451179      8.194599
  H      -6.532161      4.921789      6.488920
  H      -8.497413      3.047080      7.933472
  H      -8.722117      4.774789      7.804719
  H      -8.253938      3.721078      2.778659
  H     -12.751599      3.092557      3.461264
  H     -14.213445      2.960436      5.486548
  H     -13.225711      3.182493      7.762094
  H     -10.800663      3.539928      8.044055
  N      -4.944976      3.881499      3.745681
  H      -4.848750      4.643625      3.073647
  H      -5.867253      3.457934      3.621490
98
Coordinates from ORCA-job orca E -6204.200829927800
  N      -2.722993      1.816509      4.502670
  Mo     -3.600119      3.420902      5.091156
  N      -4.558255      2.995113      6.722524
  C      -3.812141      2.782662      7.958275
  C      -2.442460      2.210580      7.611290
  N      -1.830690      3.003744      6.515539
  C      -0.765965      2.242649      5.811791
  C      -1.393729      1.320135      4.757231
  C      -1.309988      4.324235      6.962623
  C      -1.428892      5.256118      5.756455
  N      -2.819351      5.193384      5.299900
  H      -0.779855      1.322890      3.838143
  H      -1.439316      0.273360      5.107400
  H      -0.098331      2.966173      5.331097
  H      -0.163423      1.672376      6.536262
  H      -1.142747      6.286925      6.015483
  H      -0.752725      4.923655      4.953904
  H      -1.947227      4.694665      7.776970
  H      -0.279485      4.246419      7.345256
  H      -4.339942      2.066316      8.609417
  H      -3.712978      3.718558      8.538090
  H      -2.580758      1.191636      7.225085
  H      -1.772602      2.161227      8.486851
  C      -3.696244      1.034703      3.770429
  C      -3.894697     -0.422481      4.210039
  C      -5.371583     -0.839720      4.000652
  C      -5.898041     -0.462715      2.641111
  N      -6.529635      0.707867      2.550802
  C      -6.942109      1.097417      1.314461
  N      -6.796570      0.452501      0.175821
  C      -6.165082     -0.758534      0.243210
  C      -5.984118     -1.508716     -0.942895
  C      -5.341794     -2.728891     -0.894395
  C      -4.859829     -3.242163      0.332660
  C      -5.024190     -2.531939      1.504336
  C      -5.681586     -1.275423      1.488738
  C      -3.682151      6.291910      5.756571
  C      -3.477728      7.593681      4.976178
  C      -3.973629      7.503608      3.531867
  C      -5.470629      7.344090      3.399496
  N      -6.230274      7.774976      4.397993
  C      -7.576965      7.618061      4.280585
  N      -8.238551      7.045305      3.296299
  C      -7.480147      6.586662      2.255162
  C      -8.123035      5.934441      1.175597
  C      -7.378762      5.455394      0.115248
  C      -5.973616      5.624239      0.086346
  C      -5.321488      6.260087      1.124348
  C      -6.055079      6.740732      2.241515
  C      -6.010188      2.846930      6.779290
  C      -6.748720      4.121857      7.197408
  C      -8.261363      3.930847      7.285143
  C      -8.967989      3.754933      5.962155
  N      -8.248301      3.809069      4.849171
  C      -8.902136      3.666236      3.665925
  N     -10.188281      3.481474      3.474990
  C     -10.960155      3.430124      4.605810
  C     -12.357122      3.244542      4.478788
  C     -13.151829      3.188447      5.606822
  C     -12.584772      3.313306      6.896607
  C     -11.224886      3.495843      7.048608
  C     -10.383035      3.558711      5.909255
  H      -3.513894      1.098956      2.680356
  H      -4.646636      1.551100      3.920061
  H      -3.659962     -0.527776      5.280491
  H      -3.221150     -1.094932      3.659028
  H      -5.479869     -1.919509      4.172116
  H      -5.990971     -0.317525      4.743918
  H      -7.452171      2.064783      1.269016
  H      -6.367077     -1.094438     -1.876399
  H      -5.205594     -3.309021     -1.808417
  H      -4.358187     -4.210820      0.349387
  H      -4.652949     -2.941867      2.444371
  H      -4.728537      5.976051      5.645429
  H      -3.510182      6.473104      6.833466
  H      -2.415937      7.882596      4.976687
  H      -4.029258      8.381467      5.507962
  H      -3.682697      8.419409      2.988012
  H      -3.466590      6.673747      3.015369
  H      -8.168747      8.007866      5.115190
  H      -9.207853      5.820495      1.215883
  H      -7.875397      4.945956     -0.711955
  H      -5.405484      5.251624     -0.768060
  H      -4.239450      6.396785      1.081704
  H      -6.254761      2.026476      7.480896
  H      -6.376219      2.547627      5.788280
  H      -6.379972      4.459184      8.178634
  H      -6.523123      4.913915      6.468812
  H      -8.502367      3.069959      7.932086
  H      -8.709936      4.799106      7.795730
  H      -8.270596      3.716085      2.772899
  H     -12.772926      3.150944      3.474732
  H     -14.228840      3.046772      5.505973
  H     -13.229634      3.265920      7.776602
  H     -10.799207      3.592851      8.047930
  N      -4.968816      3.876168      3.760684
  H      -4.871663      4.621011      3.068612
  H      -5.906536      3.478054      3.670421
98
Coordinates from ORCA-job orca E -6204.201446337905
  N      -2.720711      1.827377      4.480307
  Mo     -3.606108      3.418820      5.091515
  N      -4.563176      2.977504      6.718807
  C      -3.816514      2.755570      7.952865
  C      -2.444303      2.192048      7.599869
  N      -1.837366      2.995427      6.508595
  C      -0.769612      2.244780      5.798555
  C      -1.397903      1.319342      4.749082
  C      -1.319517      4.314841      6.965284
  C      -1.434705      5.252526      5.762922
  N      -2.823676      5.191626      5.300084
  H      -0.776704      1.306089      3.835111
  H      -1.457706      0.276665      5.109000
  H      -0.113187      2.975270      5.313074
  H      -0.156062      1.679859      6.517981
  H      -1.149844      6.282230      6.027551
  H      -0.755819      4.924332      4.960998
  H      -1.961318      4.680945      7.778103
  H      -0.290921      4.235623      7.352634
  H      -4.341390      2.030195      8.596393
  H      -3.721715      3.686209      8.541714
  H      -2.578673      1.175129      7.206934
  H      -1.773372      2.139914      8.474362
  C      -3.695567      1.037262      3.756161
  C      -3.870177     -0.422948      4.195001
  C      -5.339964     -0.865222      3.991207
  C      -5.876796     -0.498828      2.633144
  N      -6.531601      0.658601      2.545655
  C      -6.954285      1.041691      1.311064
  N      -6.797864      0.401821      0.170995
  C      -6.142599     -0.796639      0.235540
  C      -5.949444     -1.541613     -0.952000
  C      -5.284148     -2.749330     -0.906358
  C      -4.790438     -3.255253      0.319057
  C      -4.966001     -2.549746      1.491974
  C      -5.646869     -1.305896      1.479260
  C      -3.687222      6.291102      5.753971
  C      -3.477098      7.594659      4.978369
  C      -3.979401      7.508948      3.535994
  C      -5.477727      7.356889      3.411946
  N      -6.230186      7.804476      4.408664
  C      -7.578116      7.655349      4.298585
  N      -8.247877      7.076445      3.323269
  C      -7.497225      6.601228      2.284155
  C      -8.149358      5.942733      1.213840
  C      -7.412986      5.447057      0.155746
  C      -6.006828      5.604882      0.119740
  C      -5.345777      6.246727      1.148469
  C      -6.071152      6.744393      2.263305
  C      -6.016250      2.838802      6.775190
  C      -6.745854      4.123656      7.178778
  C      -8.259707      3.945600      7.270689
  C      -8.972044      3.770090      5.950622
  N      -8.255981      3.809787      4.834363
  C      -8.916809      3.672047      3.654182
  N     -10.205957      3.505017      3.469385
  C     -10.973685      3.467508      4.603602
  C     -12.373342      3.300658      4.482996
  C     -13.163916      3.258698      5.614626
  C     -12.589995      3.379959      6.901704
  C     -11.227454      3.544804      7.047312
  C     -10.389615      3.592496      5.904115
  H      -3.522530      1.104380      2.664762
  H      -4.647889      1.546416      3.915478
  H      -3.629799     -0.526114      5.264457
  H      -3.188032     -1.084079      3.640823
  H      -5.428498     -1.946654      4.164024
  H      -5.966017     -0.352842      4.735612
  H      -7.484280      1.998375      1.268788
  H      -6.342032     -1.133550     -1.884189
  H      -5.138740     -3.325412     -1.821522
  H      -4.270842     -4.214289      0.333586
  H      -4.585803     -2.953820      2.430923
  H      -4.733240      5.977041      5.635973
  H      -3.521331      6.468286      6.832446
  H      -2.413594      7.877168      4.975600
  H      -4.021629      8.384806      5.513675
  H      -3.686738      8.424209      2.992138
  H      -3.479266      6.677118      3.016815
  H      -8.163715      8.058726      5.131109
  H      -9.234677      5.837178      1.259873
  H      -7.916842      4.932841     -0.664155
  H      -5.444746      5.219458     -0.732856
  H      -4.262981      6.375072      1.099727
  H      -6.266658      2.026922      7.484434
  H      -6.382752      2.530895      5.786699
  H      -6.372463      4.470173      8.155174
  H      -6.515573      4.905164      6.440290
  H      -8.506841      3.090399      7.922873
  H      -8.699515      4.820388      7.777784
  H      -8.289083      3.710276      2.757978
  H     -12.794294      3.209590      3.480873
  H     -14.242906      3.131210      5.518884
  H     -13.231689      3.343909      7.784677
  H     -10.796409      3.639404      8.044521
  N      -4.992057      3.871258      3.779386
  H      -4.896607      4.599607      3.069690
  H      -5.945780      3.506028      3.729060
98
Coordinates from ORCA-job orca E -6204.202032406876
  N      -2.723913      1.839168      4.456398
  Mo     -3.616690      3.416766      5.094430
  N      -4.569043      2.958078      6.720319
  C      -3.817290      2.726111      7.949507
  C      -2.443619      2.172829      7.585787
  N      -1.845351      2.987851      6.498043
  C      -0.775884      2.248260      5.779467
  C      -1.407253      1.319587      4.737083
  C      -1.329586      4.305845      6.964457
  C      -1.445366      5.250644      5.767615
  N      -2.834309      5.191163      5.303191
  H      -0.781455      1.290148      3.826674
  H      -1.480189      0.281308      5.106890
  H      -0.132326      2.985739      5.287429
  H      -0.149328      1.689137      6.492148
  H      -1.161665      6.279086      6.038226
  H      -0.766054      4.928380      4.963569
  H      -1.973872      4.666104      7.778115
  H      -0.301839      4.225166      7.353790
  H      -4.335961      1.990313      8.586184
  H      -3.725369      3.650364      8.548854
  H      -2.575296      1.158442      7.185379
  H      -1.768386      2.116959      8.456698
  C      -3.701162      1.041602      3.741211
  C      -3.852024     -0.422029      4.177516
  C      -5.314103     -0.890377      3.978063
  C      -5.858918     -0.537430      2.619851
  N      -6.536597      0.606390      2.532003
  C      -6.965935      0.981745      1.297481
  N      -6.795850      0.345673      0.157130
  C      -6.117594     -0.840018      0.222103
  C      -5.909448     -1.581080     -0.965415
  C      -5.221893     -2.776386     -0.919223
  C      -4.719940     -3.273364      0.306593
  C      -4.909221     -2.571146      1.479430
  C      -5.613049     -1.340012      1.466234
  C      -3.697437      6.290393      5.757632
  C      -3.481728      7.595635      4.986511
  C      -3.988134      7.515372      3.544687
  C      -5.487262      7.368612      3.424677
  N      -6.235908      7.830862      4.417770
  C      -7.584734      7.688609      4.310853
  N      -8.259484      7.104502      3.341693
  C      -7.512975      6.615072      2.306247
  C      -8.171004      5.952921      1.241568
  C      -7.439305      5.443486      0.186784
  C      -6.031928      5.590499      0.148568
  C      -5.365098      6.236056      1.171493
  C      -6.085811      6.748311      2.282934
  C      -6.022906      2.829474      6.782111
  C      -6.741285      4.125773      7.169643
  C      -8.256344      3.963759      7.264885
  C      -8.972247      3.787497      5.947031
  N      -8.257932      3.808464      4.829021
  C      -8.923555      3.672426      3.651160
  N     -10.215445      3.523167      3.470312
  C     -10.981041      3.503711      4.606094
  C     -12.383162      3.354809      4.489612
  C     -13.171508      3.330461      5.623173
  C     -12.592892      3.452522      6.908108
  C     -11.227927      3.600393      7.049618
  C     -10.392159      3.629310      5.904386
  H      -3.540274      1.113597      2.648228
  H      -4.654255      1.542115      3.912973
  H      -3.606598     -0.523230      5.246102
  H      -3.160760     -1.071137      3.620357
  H      -5.382920     -1.972859      4.154086
  H      -5.948021     -0.386981      4.721879
  H      -7.514873      1.927707      1.255655
  H      -6.308952     -1.180418     -1.898005
  H      -5.065220     -3.349546     -1.834426
  H      -4.182927     -4.222824      0.321560
  H      -4.522658     -2.968180      2.418920
  H      -4.743319      5.978714      5.633334
  H      -3.536935      6.463581      6.837565
  H      -2.416847      7.872901      4.981660
  H      -4.020936      8.386976      5.525388
  H      -3.694211      8.431517      3.002985
  H      -3.491828      6.683240      3.022240
  H      -8.167057      8.103704      5.140001
  H      -9.257080      5.855443      1.289503
  H      -7.947917      4.926483     -0.628536
  H      -5.473375      5.194545     -0.701592
  H      -4.281443      6.356750      1.120056
  H      -6.277999      2.028893      7.502108
  H      -6.393733      2.510043      5.798626
  H      -6.362706      4.481792      8.140549
  H      -6.505241      4.895241      6.420556
  H      -8.511449      3.115721      7.923190
  H      -8.686608      4.846437      7.766565
  H      -8.297964      3.696050      2.753267
  H     -12.807576      3.262644      3.489033
  H     -14.252411      3.216300      5.530812
  H     -13.232878      3.430437      7.792743
  H     -10.793279      3.695621      8.045190
  N      -5.017780      3.870665      3.798745
  H      -4.924456      4.584097      3.072815
  H      -5.985993      3.540616      3.787535
98
Coordinates from ORCA-job orca E -6204.202621016100
  N      -2.729078      1.850611      4.433970
  Mo     -3.625696      3.416063      5.097399
  N      -4.572693      2.943202      6.721897
  C      -3.816376      2.701185      7.946849
  C      -2.442051      2.154692      7.573306
  N      -1.850795      2.979330      6.488611
  C      -0.781915      2.249169      5.759569
  C      -1.418434      1.318530      4.724129
  C      -1.335241      4.295290      6.963297
  C      -1.450328      5.246570      5.771239
  N      -2.839104      5.189991      5.304695
  H      -0.789346      1.272825      3.816748
  H      -1.504250      0.284960      5.103725
  H      -0.150699      2.992715      5.260694
  H      -0.142674      1.694826      6.464699
  H      -1.166772      6.273505      6.047570
  H      -0.770686      4.928994      4.965705
  H      -1.980921      4.651458      7.777735
  H      -0.308076      4.212049      7.353647
  H      -4.331227      1.957626      8.577552
  H      -3.725413      3.620124      8.554429
  H      -2.572078      1.142502      7.166749
  H      -1.763495      2.095545      8.441372
  C      -3.711360      1.046199      3.729412
  C      -3.839818     -0.419471      4.164404
  C      -5.293407     -0.912396      3.966913
  C      -5.843875     -0.573859      2.607531
  N      -6.545255      0.554903      2.517381
  C      -6.981988      0.919197      1.282355
  N      -6.797325      0.285575      0.142820
  C      -6.094256     -0.885385      0.210179
  C      -5.869897     -1.623863     -0.976136
  C      -5.158765     -2.805018     -0.927520
  C      -4.648374     -3.290331      0.299517
  C      -4.852696     -2.590124      1.471056
  C      -5.580691     -1.373211      1.455318
  C      -3.700617      6.291170      5.758276
  C      -3.480617      7.597442      4.990422
  C      -3.995480      7.521959      3.551282
  C      -5.495824      7.382006      3.440683
  N      -6.236433      7.857228      4.433775
  C      -7.586400      7.721880      4.335113
  N      -8.269844      7.134279      3.373903
  C      -7.531874      6.632237      2.338600
  C      -8.199647      5.967022      1.281769
  C      -7.476739      5.444898      0.227290
  C      -6.068683      5.581536      0.181481
  C      -5.392468      6.229958      1.196455
  C      -6.104079      6.755461      2.307423
  C      -6.027452      2.823772      6.787630
  C      -6.737265      4.129986      7.157626
  C      -8.253220      3.980366      7.253503
  C      -8.970632      3.802490      5.936763
  N      -8.256969      3.807057      4.817794
  C      -8.925828      3.673309      3.641262
  N     -10.219708      3.540878      3.462914
  C     -10.984134      3.536820      4.599558
  C     -12.388040      3.405008      4.485531
  C     -13.175141      3.395721      5.620161
  C     -12.593574      3.516865      6.903773
  C     -11.226942      3.648825      7.042754
  C     -10.392308      3.661667      5.896333
  H      -3.562547      1.120586      2.634934
  H      -4.664809      1.541091      3.913801
  H      -3.591379     -0.518525      5.232555
  H      -3.139148     -1.057129      3.605614
  H      -5.342991     -1.995427      4.146533
  H      -5.936118     -0.417410      4.708708
  H      -7.552167      1.852427      1.239504
  H      -6.276572     -1.232818     -1.909707
  H      -4.989884     -3.376155     -1.841839
  H      -4.092880     -4.228956      0.316517
  H      -4.459648     -2.977943      2.411707
  H      -4.746753      5.982191      5.631163
  H      -3.542501      6.461282      6.839032
  H      -2.414116      7.868280      4.980130
  H      -4.011763      8.391194      5.533661
  H      -3.700753      8.437983      3.009803
  H      -3.506360      6.688399      3.025125
  H      -8.161896      8.147205      5.163837
  H      -9.285891      5.877035      1.336022
  H      -7.992974      4.925607     -0.581799
  H      -5.516902      5.175769     -0.668461
  H      -4.308269      6.342635      1.138670
  H      -6.285907      2.034387      7.518366
  H      -6.401061      2.491603      5.809120
  H      -6.355915      4.496111      8.123605
  H      -6.495594      4.887927      6.398837
  H      -8.515482      3.138698      7.917030
  H      -8.676614      4.869602      7.749542
  H      -8.301671      3.683610      2.742305
  H     -12.814606      3.313164      3.485917
  H     -14.257326      3.294312      5.529835
  H     -13.232622      3.506711      7.789373
  H     -10.789964      3.743562      8.037255
  N      -5.044848      3.868932      3.822224
  H      -4.955430      4.564099      3.078310
  H      -6.025139      3.575916      3.853345
98
Coordinates from ORCA-job orca E -6204.203148931365
  N      -2.736225      1.862062      4.413551
  Mo     -3.636014      3.415169      5.103500
  N      -4.575028      2.927613      6.728946
  C      -3.811118      2.676955      7.947728
  C      -2.436792      2.138356      7.561561
  N      -1.855066      2.972423      6.478487
  C      -0.787789      2.251355      5.738238
  C      -1.430802      1.318480      4.710907
  C      -1.339193      4.286741      6.960198
  C      -1.457251      5.244470      5.773268
  N      -2.847082      5.189843      5.308119
  H      -0.800619      1.257345      3.805265
  H      -1.527841      0.289690      5.100132
  H      -0.169395      3.000550      5.231781
  H      -0.135304      1.701882      6.434999
  H      -1.173901      6.270112      6.054475
  H      -0.778954      4.932133      4.964562
  H      -1.984616      4.638348      7.776946
  H      -0.311761      4.201459      7.349341
  H      -4.319570      1.925115      8.573796
  H      -3.720457      3.590430      8.563605
  H      -2.566045      1.128342      7.149273
  H      -1.752723      2.076154      8.425071
  C      -3.723948      1.051507      3.720112
  C      -3.831943     -0.416454      4.152377
  C      -5.277503     -0.931852      3.955984
  C      -5.831951     -0.606254      2.595229
  N      -6.553106      0.509503      2.502553
  C      -6.994311      0.864923      1.266641
  N      -6.795997      0.233966      0.127851
  C      -6.072468     -0.924418      0.197810
  C      -5.833089     -1.660149     -0.987315
  C      -5.102368     -2.829271     -0.936002
  C      -4.586458     -3.304926      0.292580
  C      -4.804672     -2.606904      1.462935
  C      -5.552832     -1.402212      1.444463
  C      -3.706237      6.292615      5.761683
  C      -3.481824      7.598775      4.995131
  C      -4.003747      7.525530      3.558106
  C      -5.505041      7.391707      3.454991
  N      -6.239218      7.880221      4.446566
  C      -7.590235      7.752006      4.353936
  N      -8.281070      7.161050      3.399737
  C      -7.549968      6.646215      2.365980
  C      -8.226115      5.978855      1.315659
  C      -7.510484      5.444353      0.262532
  C      -6.101501      5.570021      0.211749
  C      -5.417127      6.220492      1.220092
  C      -6.121262      6.759107      2.329491
  C      -6.030146      2.815302      6.802016
  C      -6.731998      4.132097      7.150441
  C      -8.249014      3.995638      7.244179
  C      -8.965941      3.814540      5.927596
  N      -8.251872      3.801856      4.808615
  C      -8.922533      3.669066      3.632823
  N     -10.217998      3.552697      3.455348
  C     -10.982475      3.564890      4.591612
  C     -12.387849      3.449398      4.478327
  C     -13.174878      3.456253      5.612922
  C     -12.591817      3.578358      6.895705
  C     -11.223803      3.695049      7.033838
  C     -10.389111      3.690693      5.887452
  H      -3.589035      1.129660      2.624132
  H      -4.676602      1.539868      3.918735
  H      -3.581132     -0.513931      5.220175
  H      -3.122638     -1.043142      3.591994
  H      -5.310039     -2.015059      4.138997
  H      -5.928446     -0.444608      4.695632
  H      -7.581521      1.787561      1.222374
  H      -6.244542     -1.277073     -1.922177
  H      -4.922217     -3.398356     -1.849463
  H      -4.015572     -4.234278      0.311776
  H      -4.407370     -2.987102      2.405006
  H      -4.752814      5.986751      5.632035
  H      -3.550266      6.460985      6.843004
  H      -2.413982      7.863883      4.979850
  H      -4.005929      8.395198      5.541221
  H      -3.708117      8.440746      3.015711
  H      -3.520195      6.690102      3.029975
  H      -8.160281      8.187636      5.181103
  H      -9.312830      5.896835      1.374142
  H      -8.033312      4.923399     -0.541336
  H      -5.555298      5.154659     -0.637100
  H      -4.332248      6.324989      1.157723
  H      -6.290350      2.039918      7.546722
  H      -6.408119      2.466388      5.830695
  H      -6.349119      4.510146      8.111259
  H      -6.483821      4.876827      6.380804
  H      -8.519639      3.161439      7.913654
  H      -8.666159      4.892139      7.732519
  H      -8.298932      3.666500      2.733721
  H     -12.815426      3.356462      3.479302
  H     -14.258169      3.367003      5.523380
  H     -13.230826      3.581005      7.781370
  H     -10.785690      3.790613      8.027688
  N      -5.072863      3.867909      3.848426
  H      -4.989043      4.547736      3.089069
  H      -6.063467      3.617688      3.923849
98
Coordinates from ORCA-job orca E -6204.203663723423
  N      -2.745154      1.873223      4.394196
  Mo     -3.646914      3.413689      5.111323
  N      -4.576221      2.912121      6.737970
  C      -3.803763      2.653064      7.950193
  C      -2.429934      2.121441      7.551032
  N      -1.858256      2.964590      6.469142
  C      -0.793883      2.252715      5.715902
  C      -1.444525      1.318154      4.696855
  C      -1.341626      4.277042      6.957305
  C      -1.463125      5.241013      5.775482
  N      -2.854180      5.188376      5.312098
  H      -0.814574      1.241897      3.792292
  H      -1.552129      0.294362      5.095675
  H      -0.188951      3.007500      5.201488
  H      -0.127603      1.707795      6.403126
  H      -1.180002      6.265380      6.061419
  H      -0.786257      4.933840      4.963636
  H      -1.986196      4.624343      7.776655
  H      -0.313554      4.189854      7.344285
  H      -4.306089      1.894031      8.572460
  H      -3.712342      3.561617      8.573148
  H      -2.558711      1.113457      7.133649
  H      -1.740475      2.056560      8.410028
  C      -3.739584      1.055918      3.713674
  C      -3.826308     -0.413875      4.142891
  C      -5.263237     -0.951580      3.946415
  C      -5.821108     -0.638445      2.584201
  N      -6.563395      0.462902      2.489496
  C      -7.009495      0.809098      1.252863
  N      -6.796606      0.181886      0.114496
  C      -6.051115     -0.962317      0.186621
  C      -5.795524     -1.694171     -0.997639
  C      -5.043809     -2.849698     -0.944192
  C      -4.522101     -3.315490      0.285785
  C      -4.755332     -2.620788      1.455206
  C      -5.525010     -1.429781      1.434496
  C      -3.710484      6.293892      5.764765
  C      -3.482602      7.599091      4.997715
  C      -4.013746      7.527263      3.563836
  C      -5.516079      7.400677      3.470106
  N      -6.242083      7.901382      4.461732
  C      -7.594141      7.780307      4.377156
  N      -8.293727      7.187044      3.430457
  C      -7.571247      6.660627      2.396635
  C      -8.257233      5.992051      1.353336
  C      -7.550643      5.446297      0.300070
  C      -6.141039      5.561104      0.242255
  C      -5.447142      6.212537      1.243496
  C      -6.141990      6.763182      2.352747
  C      -6.031739      2.807639      6.818854
  C      -6.724889      4.135936      7.140961
  C      -8.242763      4.013661      7.232368
  C      -8.958260      3.828238      5.915700
  N      -8.242933      3.798026      4.797450
  C      -8.914126      3.665006      3.621734
  N     -10.210778      3.564010      3.443917
  C     -10.976161      3.592922      4.579086
  C     -12.382693      3.493149      4.465211
  C     -13.170565      3.516437      5.598946
  C     -12.587319      3.640342      6.881481
  C     -11.218297      3.742375      7.020080
  C     -10.382628      3.720652      5.874535
  H      -3.619645      1.137029      2.616215
  H      -4.691345      1.538326      3.927563
  H      -3.573900     -0.510260      5.210474
  H      -3.107950     -1.028961      3.581087
  H      -5.278357     -2.034772      4.132211
  H      -5.922971     -0.472832      4.683720
  H      -7.614966      1.719900      1.207693
  H      -6.211991     -1.319357     -1.933668
  H      -4.851535     -3.415733     -1.857094
  H      -3.934738     -4.234411      0.306862
  H      -4.353532     -2.993113      2.398570
  H      -4.757792      5.991166      5.634720
  H      -3.554996      6.462013      6.846183
  H      -2.413339      7.857902      4.975259
  H      -3.998358      8.398933      5.546743
  H      -3.717000      8.440849      3.019266
  H      -3.537344      6.688986      3.034043
  H      -8.157506      8.225067      5.204038
  H      -9.344050      5.917626      1.417879
  H      -8.081218      4.924370     -0.498120
  H      -5.601653      5.136913     -0.606566
  H      -4.361803      6.308607      1.175129
  H      -6.293512      2.048975      7.579720
  H      -6.414293      2.439367      5.856098
  H      -6.340223      4.528947      8.095157
  H      -6.469484      4.864072      6.357884
  H      -8.522748      3.188195      7.908698
  H      -8.653038      4.918207      7.711440
  H      -8.290412      3.648406      2.723274
  H     -12.810280      3.398392      3.466370
  H     -14.254695      3.438868      5.509111
  H     -13.227020      3.655936      7.766565
  H     -10.780024      3.839381      8.013664
  N      -5.105911      3.862583      3.881346
  H      -5.031309      4.519748      3.101218
  H      -6.102136      3.646870      4.000416
98
Coordinates from ORCA-job orca E -6204.204107127840
  N      -2.757013      1.881577      4.375003
  Mo     -3.659568      3.409949      5.119061
  N      -4.579258      2.895070      6.748003
  C      -3.796664      2.627505      7.952517
  C      -2.423723      2.104062      7.539819
  N      -1.863574      2.956680      6.458948
  C      -0.802474      2.253648      5.692208
  C      -1.461313      1.315187      4.683753
  C      -1.346065      4.267037      6.953251
  C      -1.472032      5.237613      5.777224
  N      -2.864235      5.185683      5.316730
  H      -0.832453      1.221666      3.780152
  H      -1.579131      0.297840      5.095082
  H      -0.212400      3.013441      5.167866
  H      -0.121466      1.714815      6.369830
  H      -1.189674      6.260586      6.068779
  H      -0.796774      4.936919      4.961664
  H      -1.989401      4.609544      7.775675
  H      -0.317119      4.178066      7.337170
  H      -4.292113      1.861305      8.571323
  H      -3.703872      3.531148      8.582315
  H      -2.551576      1.098019      7.117655
  H      -1.728324      2.037299      8.393754
  C      -3.758944      1.058153      3.707878
  C      -3.826279     -0.413038      4.134168
  C      -5.253929     -0.972859      3.935010
  C      -5.812199     -0.673266      2.570080
  N      -6.575472      0.412962      2.471044
  C      -7.023423      0.749015      1.232457
  N      -6.793240      0.125188      0.095423
  C      -6.026181     -1.004435      0.172089
  C      -5.751835     -1.732906     -1.010128
  C      -4.979689     -2.874632     -0.951970
  C      -4.455350     -3.329691      0.280882
  C      -4.705977     -2.637638      1.448264
  C      -5.496617     -1.460530      1.422735
  C      -3.717845      6.293784      5.767626
  C      -3.486532      7.597794      4.999919
  C      -4.025424      7.528723      3.568473
  C      -5.528602      7.410594      3.481596
  N      -6.247755      7.922007      4.472977
  C      -7.600761      7.809694      4.393921
  N      -8.307985      7.217757      3.452012
  C      -7.592757      6.681580      2.417957
  C      -8.287440      6.017076      1.377862
  C      -7.588593      5.462936      0.323613
  C      -6.177950      5.563696      0.262321
  C      -5.475531      6.210643      1.260571
  C      -6.162668      6.771303      2.369941
  C      -6.035130      2.800343      6.841217
  C      -6.717582      4.138969      7.142468
  C      -8.236219      4.031921      7.231980
  C      -8.948646      3.845188      5.914683
  N      -8.230291      3.798597      4.798629
  C      -8.899119      3.664054      3.621790
  N     -10.196431      3.576257      3.441514
  C     -10.964869      3.621208      4.574015
  C     -12.372126      3.534122      4.457121
  C     -13.162879      3.571687      5.588558
  C     -12.581955      3.698347      6.871658
  C     -11.212406      3.788773      7.013107
  C     -10.373772      3.751839      5.870026
  H      -3.653375      1.141339      2.609146
  H      -4.708410      1.535976      3.936433
  H      -3.574456     -0.508283      5.202033
  H      -3.098212     -1.016817      3.572517
  H      -5.251951     -2.055706      4.123872
  H      -5.923834     -0.502674      4.668502
  H      -7.646964      1.647534      1.184452
  H      -6.171010     -1.367003     -1.948458
  H      -4.773391     -3.438151     -1.863390
  H      -3.852013     -4.238131      0.305921
  H      -4.302031     -3.001489      2.394026
  H      -4.765657      5.993352      5.636655
  H      -3.563109      6.462682      6.849130
  H      -2.415830      7.850163      4.970793
  H      -3.994534      8.400602      5.551853
  H      -3.726284      8.441072      3.023080
  H      -3.556678      6.687367      3.037022
  H      -8.158479      8.261964      5.220699
  H      -9.374614      5.952145      1.445946
  H      -8.126141      4.944376     -0.472063
  H      -5.644336      5.132716     -0.587067
  H      -4.389449      6.296143      1.189003
  H      -6.296391      2.058582      7.618147
  H      -6.426216      2.414128      5.888957
  H      -6.330193      4.542759      8.090390
  H      -6.455144      4.852440      6.349129
  H      -8.525901      3.213822      7.912590
  H      -8.639576      4.943305      7.703850
  H      -8.273209      3.632260      2.725548
  H     -12.797821      3.436537      3.457905
  H     -14.247574      3.503090      5.496617
  H     -13.223974      3.724975      7.754998
  H     -10.775915      3.887653      8.007079
  N      -5.132592      3.859929      3.906993
  H      -5.065175      4.497830      3.110111
  H      -6.132403      3.683401      4.067781
98
Coordinates from ORCA-job orca E -6204.204488566945
  N      -2.773160      1.890763      4.355670
  Mo     -3.673945      3.407670      5.126936
  N      -4.582981      2.880498      6.758482
  C      -3.789000      2.602653      7.954355
  C      -2.417595      2.086420      7.527399
  N      -1.869196      2.948912      6.447884
  C      -0.813247      2.254613      5.664875
  C      -1.481900      1.312784      4.667745
  C      -1.349732      4.256363      6.948558
  C      -1.481333      5.234893      5.779733
  N      -2.874731      5.183474      5.322160
  H      -0.856112      1.202069      3.764094
  H      -1.609043      0.302415      5.092344
  H      -0.239418      3.019515      5.129802
  H      -0.116594      1.721637      6.331239
  H      -1.200721      6.256227      6.078593
  H      -0.807099      4.942738      4.960248
  H      -1.990349      4.593673      7.775309
  H      -0.319179      4.164845      7.327424
  H      -4.278236      1.830033      8.569818
  H      -3.693356      3.501397      8.590538
  H      -2.544724      1.082419      7.100414
  H      -1.716557      2.017564      8.376420
  C      -3.785536      1.061918      3.703874
  C      -3.835473     -0.410129      4.127205
  C      -5.252739     -0.991593      3.920237
  C      -5.805797     -0.706054      2.550381
  N      -6.589513      0.364330      2.443887
  C      -7.035163      0.689723      1.201698
  N      -6.783595      0.069407      0.066954
  C      -5.995031     -1.044713      0.151369
  C      -5.697258     -1.769578     -1.027603
  C      -4.904694     -2.896620     -0.961711
  C      -4.382261     -3.340541      0.276057
  C      -4.654847     -2.651436      1.440240
  C      -5.466494     -1.489006      1.406740
  C      -3.724865      6.296140      5.768871
  C      -3.489075      7.596809      4.997274
  C      -4.036030      7.525922      3.568901
  C      -5.540129      7.417760      3.490457
  N      -6.250841      7.941991      4.481251
  C      -7.604730      7.838086      4.409920
  N      -8.320538      7.245402      3.475264
  C      -7.614081      6.697006      2.441367
  C      -8.318207      6.032997      1.407573
  C      -7.628405      5.467757      0.353140
  C      -6.217212      5.554624      0.286300
  C      -5.505636      6.200028      1.278691
  C      -6.183749      6.773973      2.387053
  C      -6.039149      2.795932      6.865430
  C      -6.710970      4.142684      7.153964
  C      -8.230611      4.050247      7.239139
  C      -8.938234      3.867073      5.919598
  N      -8.215270      3.808187      4.806584
  C      -8.879150      3.673060      3.627108
  N     -10.176604      3.596748      3.442279
  C     -10.949826      3.654953      4.571115
  C     -12.357326      3.579055      4.448953
  C     -13.152831      3.627798      5.576930
  C     -12.576708      3.755568      6.861771
  C     -11.207194      3.835697      7.008310
  C     -10.363726      3.786615      5.868922
  H      -3.694849      1.145970      2.604009
  H      -4.731806      1.537769      3.947567
  H      -3.588445     -0.504663      5.196298
  H      -3.095845     -1.002398      3.568301
  H      -5.234416     -2.073704      4.112919
  H      -5.935634     -0.529627      4.646848
  H      -7.676881      1.575121      1.148738
  H      -6.115585     -1.413009     -1.969880
  H      -4.680844     -3.457274     -1.870790
  H      -3.762929     -4.237897      0.307536
  H      -4.252273     -3.006421      2.389944
  H      -4.773604      5.998766      5.638541
  H      -3.569802      6.468104      6.849971
  H      -2.416668      7.841344      4.960347
  H      -3.988312      8.404857      5.549645
  H      -3.733480      8.434195      3.018572
  H      -3.576313      6.678607      3.039246
  H      -8.155817      8.299196      5.236331
  H      -9.405275      5.977120      1.481128
  H      -8.173486      4.950025     -0.437715
  H      -5.689974      5.114048     -0.562324
  H      -4.419117      6.274078      1.202687
  H      -6.298442      2.067735      7.655032
  H      -6.440063      2.396826      5.922694
  H      -6.321793      4.550908      8.098193
  H      -6.440560      4.846593      6.355906
  H      -8.530604      3.236630      7.919927
  H      -8.628160      4.966037      7.707410
  H      -8.249302      3.627069      2.734102
  H     -12.779226      3.479970      3.448523
  H     -14.237696      3.567014      5.481155
  H     -13.222520      3.790974      7.742348
  H     -10.774329      3.935281      8.003506
  N      -5.162666      3.858047      3.935642
  H      -5.106222      4.465650      3.115098
  H      -6.162826      3.715432      4.138479
98
Coordinates from ORCA-job orca E -6204.204710076485
  N      -2.785135      1.893070      4.342213
  Mo     -3.684875      3.401932      5.131574
  N      -4.589987      2.865273      6.764441
  C      -3.787797      2.579478      7.954345
  C      -2.416342      2.070228      7.519215
  N      -1.875504      2.940564      6.441680
  C      -0.823008      2.252456      5.646538
  C      -1.498303      1.305424      4.660097
  C      -1.354502      4.245221      6.947889
  C      -1.490159      5.231478      5.785944
  N      -2.883298      5.178809      5.327785
  H      -0.874300      1.177543      3.757715
  H      -1.634016      0.302801      5.099525
  H      -0.263684      3.021280      5.101424
  H      -0.113358      1.725897      6.304505
  H      -1.213606      6.251268      6.093612
  H      -0.814148      4.949427      4.964524
  H      -1.993140      4.577995      7.777975
  H      -0.322862      4.151042      7.322589
  H      -4.272604      1.801530      8.566588
  H      -3.691561      3.474664      8.595316
  H      -2.540879      1.067432      7.088923
  H      -1.713003      2.001211      8.366037
  C      -3.807346      1.062253      3.701980
  C      -3.849713     -0.409468      4.124581
  C      -5.257483     -1.006114      3.901466
  C      -5.796014     -0.731562      2.523792
  N      -6.591590      0.328306      2.404495
  C      -7.026256      0.644637      1.156172
  N      -6.752251      0.024857      0.026274
  C      -5.950383     -1.078774      0.123674
  C      -5.628311     -1.802989     -1.049212
  C      -4.822974     -2.920029     -0.970302
  C      -4.311342     -3.354456      0.275130
  C      -4.607230     -2.665655      1.433638
  C      -5.432111     -1.513219      1.386735
  C      -3.730970      6.296318      5.766719
  C      -3.490279      7.592789      4.989782
  C      -4.041190      7.518665      3.563059
  C      -5.545776      7.419724      3.487643
  N      -6.252117      7.951662      4.477661
  C      -7.606517      7.857494      4.407361
  N      -8.327334      7.270998      3.472915
  C      -7.625778      6.716277      2.438771
  C      -8.335817      6.062764      1.402286
  C      -7.651045      5.494345      0.346153
  C      -6.238831      5.565331      0.281621
  C      -5.521515      6.199425      1.277357
  C      -6.194731      6.778772      2.385796
  C      -6.046261      2.788656      6.885018
  C      -6.709573      4.141474      7.167077
  C      -8.230410      4.060737      7.253262
  C      -8.942961      3.881025      5.935805
  N      -8.224594      3.812311      4.819775
  C      -8.892403      3.676689      3.642244
  N     -10.191189      3.610595      3.463102
  C     -10.960337      3.681163      4.594439
  C     -12.368804      3.616961      4.477506
  C     -13.160278      3.676496      5.608319
  C     -12.579134      3.804414      6.890832
  C     -11.208613      3.873764      7.032228
  C     -10.369163      3.812952      5.889855
  H      -3.725477      1.145401      2.601550
  H      -4.749803      1.540716      3.955635
  H      -3.615358     -0.501781      5.196714
  H      -3.097794     -0.994579      3.574681
  H      -5.229381     -2.087369      4.097797
  H      -5.955088     -0.549684      4.617407
  H      -7.679572      1.521277      1.093918
  H      -6.038849     -1.454217     -1.997588
  H      -4.580732     -3.480140     -1.874890
  H      -3.681919     -4.244323      0.317203
  H      -4.212965     -3.013228      2.389365
  H      -4.780192      6.001013      5.635540
  H      -3.577407      6.473461      6.847281
  H      -2.416349      7.829923      4.947706
  H      -3.982740      8.406230      5.540219
  H      -3.733809      8.422164      3.007721
  H      -3.588380      6.665256      3.037593
  H      -8.154049      8.322746      5.233928
  H      -9.423521      6.017790      1.474985
  H      -8.200972      4.985757     -0.447414
  H      -5.715008      5.122156     -0.567795
  H      -4.434114      6.261173      1.203010
  H      -6.301594      2.071468      7.685492
  H      -6.456914      2.379090      5.951102
  H      -6.316863      4.551047      8.108767
  H      -6.434694      4.840350      6.366580
  H      -8.535556      3.249981      7.935152
  H      -8.621188      4.979508      7.721157
  H      -8.265510      3.617997      2.747382
  H     -12.794478      3.517400      3.478774
  H     -14.245879      3.624131      5.516842
  H     -13.221938      3.848489      7.773689
  H     -10.771814      3.973607      8.025589
  N      -5.174890      3.857350      3.947419
  H      -5.120359      4.446102      3.113534
  H      -6.173623      3.767891      4.189952
98
Coordinates from ORCA-job orca E -6204.204939954208
  N      -2.808175      1.898914      4.327586
  Mo     -3.705146      3.397082      5.141960
  N      -4.595948      2.846834      6.779761
  C      -3.777342      2.552345      7.958191
  C      -2.407469      2.053452      7.506945
  N      -1.882066      2.934874      6.429735
  C      -0.836643      2.256287      5.615178
  C      -1.522019      1.304681      4.641415
  C      -1.358312      4.236183      6.941751
  C      -1.509345      5.233547      5.791745
  N      -2.905504      5.175754      5.341978
  H      -0.905772      1.164379      3.735805
  H      -1.660770      0.308298      5.093630
  H      -0.297672      3.031168      5.058000
  H      -0.109406      1.736774      6.259326
  H      -1.239505      6.251704      6.110454
  H      -0.834767      4.968060      4.963334
  H      -1.989087      4.560300      7.781311
  H      -0.322206      4.140648      7.303536
  H      -4.252648      1.767731      8.569124
  H      -3.678016      3.443413      8.604236
  H      -2.529337      1.052126      7.072866
  H      -1.697939      1.984633      8.348565
  C      -3.843369      1.065960      3.703051
  C      -3.876517     -0.405823      4.121413
  C      -5.273985     -1.016431      3.875710
  C      -5.789083     -0.750544      2.487307
  N      -6.589842      0.303652      2.350660
  C      -7.003302      0.615483      1.093786
  N      -6.702751     -0.003741     -0.029921
  C      -5.894910     -1.101611      0.085172
  C      -5.544313     -1.825425     -1.079926
  C      -4.733075     -2.937175     -0.983621
  C      -4.243389     -3.367033      0.272445
  C      -4.566552     -2.678457      1.423688
  C      -5.397857     -1.531146      1.358849
  C      -3.749529      6.299653      5.771692
  C      -3.504146      7.586712      4.980273
  C      -4.058477      7.496856      3.555721
  C      -5.563626      7.411845      3.482872
  N      -6.264428      7.962804      4.466158
  C      -7.619812      7.881283      4.396994
  N      -8.346498      7.293571      3.468311
  C      -7.650119      6.719076      2.440911
  C      -8.365870      6.062661      1.410764
  C      -7.686132      5.474817      0.361716
  C      -6.272821      5.526472      0.299228
  C      -5.550043      6.162187      1.289308
  C      -6.218471      6.763439      2.389279
  C      -6.050832      2.777657      6.920722
  C      -6.700066      4.136707      7.208484
  C      -8.221972      4.075397      7.286930
  C      -8.927992      3.914221      5.964492
  N      -8.203088      3.846673      4.852155
  C      -8.862730      3.718561      3.669907
  N     -10.160937      3.660228      3.483326
  C     -10.937133      3.733647      4.609861
  C     -12.345332      3.677376      4.484618
  C     -13.144108      3.738076      5.610547
  C     -12.570949      3.859889      6.896693
  C     -11.201023      3.920832      7.046337
  C     -10.354111      3.857690      5.909149
  H      -3.774954      1.150208      2.601901
  H      -4.780203      1.546486      3.969892
  H      -3.658633     -0.497911      5.197161
  H      -3.110062     -0.981529      3.581866
  H      -5.238592     -2.096777      4.076374
  H      -5.989648     -0.564373      4.576543
  H      -7.662087      1.487284      1.018633
  H      -5.938171     -1.480759     -2.037031
  H      -4.469448     -3.496565     -1.882647
  H      -3.609384     -4.253202      0.328640
  H      -4.189401     -3.022296      2.387859
  H      -4.800057      6.007138      5.644206
  H      -3.593890      6.487959      6.850091
  H      -2.428680      7.815700      4.930632
  H      -3.990140      8.409487      5.522591
  H      -3.742756      8.388231      2.985617
  H      -3.614017      6.630411      3.044073
  H      -8.164112      8.359828      5.218105
  H      -9.454159      6.031125      1.483256
  H      -8.240858      4.964873     -0.427240
  H      -5.751313      5.066360     -0.542780
  H      -4.461565      6.206926      1.216819
  H      -6.301139      2.066131      7.727296
  H      -6.475740      2.367394      5.993751
  H      -6.305210      4.535962      8.152922
  H      -6.413570      4.836884      6.413787
  H      -8.540897      3.263206      7.960021
  H      -8.604520      4.994672      7.760255
  H      -8.230032      3.655076      2.779149
  H     -12.764620      3.582217      3.483171
  H     -14.229604      3.691049      5.513010
  H     -13.219533      3.905518      7.775503
  H     -10.770281      4.015624      8.042381
  N      -5.210275      3.852679      3.977498
  H      -5.176869      4.400281      3.115242
  H      -6.204768      3.769241      4.251425
98
Coordinates from ORCA-job orca E -6204.205529948627
  N      -2.791993      1.887106      4.345852
  Mo     -3.689295      3.400098      5.133895
  N      -4.588669      2.857567      6.769600
  C      -3.781831      2.572688      7.958801
  C      -2.409578      2.067234      7.520130
  N      -1.872071      2.938856      6.439874
  C      -0.822647      2.249671      5.639326
  C      -1.501235      1.301440      4.655066
  C      -1.347681      4.243790      6.944469
  C      -1.495310      5.236189      5.788682
  N      -2.891605      5.178469      5.337638
  H      -0.881650      1.177289      3.749394
  H      -1.633046      0.298324      5.095316
  H      -0.268606      3.020314      5.090763
  H      -0.109610      1.724654      6.294844
  H      -1.224213      6.255413      6.103076
  H      -0.820721      4.965216      4.962180
  H      -1.978187      4.572888      7.782104
  H      -0.311719      4.148221      7.307409
  H      -4.263559      1.793949      8.572593
  H      -3.686995      3.469242      8.598197
  H      -2.531263      1.063695      7.090744
  H      -1.704968      2.001763      8.366164
  C      -3.822103      1.060832      3.707741
  C      -3.874633     -0.409158      4.131615
  C      -5.279116     -1.002506      3.884434
  C      -5.790210     -0.729805      2.496034
  N      -6.571970      0.337639      2.356618
  C      -6.981737      0.651403      1.099099
  N      -6.694820      0.022415     -0.022296
  C      -5.905902     -1.088649      0.095525
  C      -5.570348     -1.822841     -1.067443
  C      -4.776533     -2.946452     -0.968339
  C      -4.289895     -3.378337      0.288097
  C      -4.600048     -2.680420      1.437378
  C      -5.413723     -1.521222      1.369565
  C      -3.736836      6.302694      5.767205
  C      -3.497141      7.590283      4.974634
  C      -4.050301      7.496602      3.550535
  C      -5.555712      7.412829      3.478385
  N      -6.255333      7.956769      4.466145
  C      -7.611051      7.879107      4.395064
  N      -8.338646      7.300421      3.461631
  C      -7.643956      6.731525      2.430690
  C      -8.361171      6.081263      1.397514
  C      -7.682251      5.496670      0.346700
  C      -6.269256      5.547859      0.283885
  C      -5.545103      6.178789      1.276364
  C      -6.212168      6.773914      2.379272
  C      -6.044877      2.771605      6.893149
  C      -6.708834      4.120528      7.194281
  C      -8.230370      4.042564      7.278546
  C      -8.943077      3.885562      5.958041
  N      -8.223131      3.836023      4.842049
  C      -8.888649      3.722278      3.661097
  N     -10.186687      3.661235      3.478984
  C     -10.957835      3.714895      4.610348
  C     -12.365749      3.658210      4.489576
  C     -13.159451      3.704629      5.619500
  C     -12.581165      3.811238      6.905100
  C     -11.211163      3.871530      7.050271
  C     -10.369430      3.823486      5.908729
  H      -3.738944      1.142434      2.607453
  H      -4.761669      1.549034      3.959817
  H      -3.659759     -0.499318      5.208124
  H      -3.114336     -0.995992      3.595269
  H      -5.257054     -2.083011      4.084981
  H      -5.988812     -0.541315      4.585473
  H      -7.624502      1.534472      1.020774
  H      -5.961180     -1.475844     -2.024777
  H      -4.523671     -3.513770     -1.865487
  H      -3.669042     -4.273239      0.345977
  H      -4.225372     -3.025737      2.401745
  H      -4.786799      6.007097      5.643561
  H      -3.577038      6.490418      6.845013
  H      -2.422422      7.823226      4.927373
  H      -3.986499      8.412478      5.514428
  H      -3.734308      8.386579      2.978175
  H      -3.607261      6.629674      3.039916
  H      -8.153177      8.353262      5.219892
  H      -9.449483      6.051087      1.469487
  H      -8.237692      4.990569     -0.444244
  H      -5.749110      5.091267     -0.560289
  H      -4.456881      6.223814      1.204145
  H      -6.295252      2.045029      7.686718
  H      -6.455403      2.371156      5.955268
  H      -6.315554      4.514992      8.142651
  H      -6.432014      4.832478      6.405259
  H      -8.539145      3.223096      7.949076
  H      -8.618795      4.955780      7.759225
  H      -8.260004      3.679573      2.766111
  H     -12.788905      3.576140      3.488261
  H     -14.244649      3.658883      5.525342
  H     -13.225849      3.846486      7.786876
  H     -10.776516      3.955680      8.045970
  N      -5.180386      3.857184      3.952221
  H      -5.121966      4.450708      3.121283
  H      -6.177189      3.785908      4.208558
98
Coordinates from ORCA-job orca E -6204.206426469528
  N      -2.784875      1.878816      4.343674
  Mo     -3.666454      3.435530      5.119956
  N      -4.583642      2.918362      6.764363
  C      -3.801507      2.622326      7.975648
  C      -2.432205      2.089101      7.546285
  N      -1.855478      2.942975      6.464613
  C      -0.814068      2.224925      5.670305
  C      -1.502501      1.277969      4.680402
  C      -1.323733      4.248946      6.963757
  C      -1.448647      5.249165      5.815949
  N      -2.837918      5.197518      5.346515
  H      -0.864347      1.144655      3.790558
  H      -1.656972      0.278550      5.124247
  H      -0.239275      2.987221      5.126221
  H      -0.121428      1.696937      6.346218
  H      -1.176976      6.263962      6.146233
  H      -0.766785      4.989148      4.992203
  H      -1.960622      4.578745      7.794211
  H      -0.288445      4.132136      7.339306
  H      -4.312006      1.855280      8.585255
  H      -3.706491      3.521832      8.615145
  H      -2.560308      1.085048      7.114268
  H      -1.732770      2.018865      8.397229
  C      -3.820937      1.057423      3.686175
  C      -3.917841     -0.406595      4.118848
  C      -5.320971     -0.981328      3.847443
  C      -5.823657     -0.704261      2.457027
  N      -6.609748      0.351982      2.307098
  C      -7.021054      0.652080      1.044616
  N      -6.725866      0.019383     -0.069972
  C      -5.926600     -1.081211      0.061668
  C      -5.578322     -1.822058     -1.096202
  C      -4.772448     -2.932476     -0.986180
  C      -4.282055     -3.351198      0.274712
  C      -4.608485     -2.648724      1.416753
  C      -5.435461     -1.501987      1.334490
  C      -3.682865      6.337979      5.767175
  C      -3.443949      7.620414      4.962242
  C      -3.979339      7.503806      3.537135
  C      -5.486330      7.398889      3.453009
  N      -6.192776      7.919058      4.446777
  C      -7.547709      7.823216      4.368056
  N      -8.262348      7.250599      3.420607
  C      -7.566379      6.709690      2.381882
  C      -8.279536      6.069948      1.332792
  C      -7.599702      5.507248      0.281968
  C      -6.191495      5.569903      0.227281
  C      -5.473733      6.193367      1.231826
  C      -6.140733      6.764558      2.337043
  C      -6.050211      2.832270      6.891091
  C      -6.739381      4.168922      7.182349
  C      -8.264452      4.042133      7.290990
  C      -9.019913      3.834116      5.990026
  N      -8.327002      3.774110      4.863857
  C      -9.025442      3.628444      3.697549
  N     -10.323681      3.550075      3.537902
  C     -11.066429      3.611216      4.684301
  C     -12.473125      3.546158      4.583233
  C     -13.241583      3.616432      5.720573
  C     -12.638058      3.753745      6.996932
  C     -11.267622      3.820502      7.121984
  C     -10.451493      3.751172      5.969174
  H      -3.713824      1.131892      2.588952
  H      -4.792574      1.569933      3.919779
  H      -3.730525     -0.502670      5.200565
  H      -3.151619     -1.001024      3.596501
  H      -5.302183     -2.060603      4.052465
  H      -6.034350     -0.513430      4.541051
  H      -7.671723      1.526397      0.957188
  H      -5.970244     -1.486428     -2.056258
  H      -4.507906     -3.503477     -1.878047
  H      -3.650007     -4.235026      0.338891
  H      -4.232664     -2.981252      2.383586
  H      -4.729028      6.042365      5.643824
  H      -3.525932      6.515414      6.847323
  H      -2.367177      7.853623      4.932901
  H      -3.938448      8.454920      5.476736
  H      -3.665820      8.392318      2.960287
  H      -3.533252      6.643297      3.033373
  H      -8.087748      8.276943      5.203152
  H      -9.365803      6.030965      1.398035
  H      -8.148923      5.008767     -0.519751
  H      -5.671678      5.129194     -0.619491
  H      -4.390954      6.249934      1.166888
  H      -6.273838      2.103618      7.694688
  H      -6.458482      2.410854      5.957965
  H      -6.345712      4.592012      8.130319
  H      -6.489837      4.887016      6.376097
  H      -8.540793      3.222219      7.992377
  H      -8.666919      4.957542      7.759717
  H      -8.411253      3.609627      2.790091
  H     -12.915852      3.444583      3.588827
  H     -14.324644      3.570113      5.641583
  H     -13.263354      3.811137      7.882666
  H     -10.814476      3.933748      8.110644
  N      -5.106707      3.923180      3.913947
  H      -5.011526      4.537680      3.089640
  H      -6.101507      3.887374      4.168166
98
Coordinates from ORCA-job orca E -6204.209640238792
  N      -2.829239      1.892367      4.330842
  Mo     -3.705117      3.436086      5.134833
  N      -4.600590      2.902681      6.778565
  C      -3.799058      2.604375      7.971891
  C      -2.432585      2.086070      7.538338
  N      -1.879275      2.947226      6.457559
  C      -0.851147      2.235531      5.647979
  C      -1.553037      1.288380      4.672604
  C      -1.348395      4.245220      6.960157
  C      -1.484241      5.245720      5.821311
  N      -2.874629      5.192577      5.358582
  H      -0.925919      1.140553      3.776385
  H      -1.708028      0.293944      5.125250
  H      -0.287564      2.994492      5.089311
  H      -0.145817      1.705130      6.308230
  H      -1.213250      6.260095      6.151151
  H      -0.802912      4.988725      4.995768
  H      -1.982571      4.571132      7.795225
  H      -0.311207      4.135637      7.327288
  H      -4.294436      1.830172      8.584452
  H      -3.702690      3.501413      8.613011
  H      -2.558869      1.081492      7.108701
  H      -1.732899      2.018141      8.388691
  C      -3.862526      1.060586      3.687146
  C      -3.935865     -0.405498      4.117907
  C      -5.335126     -1.002131      3.850074
  C      -5.837454     -0.728552      2.456446
  N      -6.642646      0.318456      2.312296
  C      -7.049859      0.630354      1.050468
  N      -6.734982      0.015282     -0.070833
  C      -5.921442     -1.076846      0.054132
  C      -5.553450     -1.798478     -1.109049
  C      -4.736038     -2.904249     -1.005317
  C      -4.255244     -3.334589      0.255850
  C      -4.596225     -2.649114      1.404066
  C      -5.433716     -1.507240      1.329505
  C      -3.700610      6.340257      5.773398
  C      -3.440541      7.607295      4.949817
  C      -3.977002      7.494148      3.521987
  C      -5.484310      7.405990      3.433410
  N      -6.187624      7.944881      4.419982
  C      -7.544019      7.854093      4.349944
  N      -8.265584      7.268876      3.415526
  C      -7.570101      6.712499      2.381454
  C      -8.287293      6.061864      1.344325
  C      -7.611303      5.482073      0.296280
  C      -6.200855      5.537456      0.236115
  C      -5.477883      6.172057      1.228203
  C      -6.142058      6.763751      2.330166
  C      -6.058725      2.831946      6.934671
  C      -6.721629      4.178880      7.236445
  C      -8.244827      4.078995      7.325632
  C      -8.969227      3.889537      6.010878
  N      -8.255655      3.827370      4.895852
  C      -8.931530      3.669761      3.720932
  N     -10.229770      3.571983      3.542817
  C     -10.993081      3.634343      4.675098
  C     -12.401260      3.534254      4.558999
  C     -13.189403      3.586428      5.687172
  C     -12.604872      3.741956      6.968415
  C     -11.234244      3.844545      7.108759
  C     -10.398226      3.792246      5.967359
  H      -3.763046      1.133722      2.588997
  H      -4.829217      1.558287      3.925528
  H      -3.742256     -0.498148      5.199059
  H      -3.164568     -0.990969      3.593839
  H      -5.303966     -2.081779      4.055301
  H      -6.057575     -0.545204      4.541092
  H      -7.713821      1.497396      0.969729
  H      -5.939316     -1.454608     -2.070074
  H      -4.458285     -3.460653     -1.902264
  H      -3.616072     -4.216082      0.316555
  H      -4.226665     -2.991765      2.371851
  H      -4.754155      6.063146      5.656516
  H      -3.538950      6.535794      6.849042
  H      -2.361829      7.823580      4.911598
  H      -3.924913      8.449542      5.462105
  H      -3.652201      8.375069      2.940418
  H      -3.530924      6.622884      3.025208
  H      -8.086210      8.320179      5.177906
  H      -9.374847      6.027339      1.415257
  H      -8.165110      4.974633     -0.495804
  H      -5.682290      5.079879     -0.604237
  H      -4.392187      6.220606      1.156666
  H      -6.287997      2.109912      7.739678
  H      -6.494266      2.424328      6.009363
  H      -6.326406      4.585554      8.183999
  H      -6.452947      4.889995      6.437243
  H      -8.539389      3.256519      8.006758
  H      -8.641373      4.994671      7.796464
  H      -8.304610      3.630449      2.827476
  H     -12.829309      3.414214      3.561589
  H     -14.274529      3.506325      5.597177
  H     -13.245631      3.779990      7.848159
  H     -10.795147      3.964762      8.101133
  N      -5.162726      3.925383      3.939072
  H      -5.092638      4.506378      3.097456
  H      -6.158414      3.845814      4.189157
98
Coordinates from ORCA-job orca E -6204.208531901574
  N      -2.878603      1.897068      4.327948
  Mo     -3.730846      3.429163      5.152003
  N      -4.566324      2.883077      6.802713
  C      -3.739637      2.592566      7.968373
  C      -2.382140      2.086702      7.509959
  N      -1.866530      2.951643      6.423961
  C      -0.868719      2.253173      5.582579
  C      -1.593622      1.309410      4.633897
  C      -1.331870      4.246472      6.914289
  C      -1.515607      5.251142      5.787647
  N      -2.917629      5.185907      5.366377
  H      -0.992993      1.170129      3.716141
  H      -1.722536      0.312804      5.086083
  H      -0.327775      3.014348      5.010959
  H      -0.140611      1.720368      6.213428
  H      -1.251908      6.265870      6.120264
  H      -0.851993      5.012708      4.939862
  H      -1.938437      4.561621      7.776787
  H      -0.286505      4.147720      7.242006
  H      -4.214347      1.814084      8.584213
  H      -3.635784      3.486815      8.607084
  H      -2.511958      1.083440      7.084957
  H      -1.661569      2.021956      8.343157
  C      -3.908981      1.044951      3.710760
  C      -3.951221     -0.417563      4.160006
  C      -5.347579     -1.039983      3.919120
  C      -5.863560     -0.780225      2.528577
  N      -6.703618      0.245097      2.396139
  C      -7.138068      0.543664      1.142471
  N      -6.818691     -0.063314      0.014866
  C      -5.969217     -1.130572      0.124277
  C      -5.594981     -1.837874     -1.044313
  C      -4.738269     -2.916674     -0.953531
  C      -4.226727     -3.328515      0.299830
  C      -4.575193     -2.658370      1.455729
  C      -5.452064     -1.545387      1.397134
  C      -3.727484      6.327768      5.802693
  C      -3.489746      7.583196      4.960547
  C      -4.071702      7.463849      3.549374
  C      -5.578925      7.394597      3.521452
  N      -6.240204      7.933156      4.538159
  C      -7.600313      7.866240      4.520865
  N      -8.366359      7.301175      3.611542
  C      -7.708256      6.739222      2.549085
  C      -8.463822      6.098501      1.539512
  C      -7.821735      5.503727      0.464175
  C      -6.408790      5.542039      0.352692
  C      -5.646982      6.169768      1.317568
  C      -6.276014      6.770542      2.445721
  C      -6.013715      2.789357      6.930799
  C      -6.666320      4.140173      7.233612
  C      -8.180376      4.057254      7.276991
  C      -8.814532      3.895949      5.922610
  N      -8.030746      3.853665      4.845669
  C      -8.631641      3.741407      3.631508
  N      -9.920415      3.672546      3.383212
  C     -10.752150      3.712730      4.473575
  C     -12.154076      3.649860      4.284288
  C     -13.005240      3.695412      5.375269
  C     -12.491793      3.805641      6.685801
  C     -11.130576      3.870233      6.897514
  C     -10.232458      3.825260      5.799393
  H      -3.834007      1.112542      2.608870
  H      -4.858069      1.511167      3.953915
  H      -3.730992     -0.492457      5.236660
  H      -3.183388     -1.001101      3.630078
  H      -5.297772     -2.119156      4.127160
  H      -6.068354     -0.593343      4.618065
  H      -7.830983      1.390274      1.073254
  H      -6.005286     -1.506954     -2.000571
  H      -4.454094     -3.462001     -1.855335
  H      -3.554958     -4.188085      0.350218
  H      -4.179701     -2.988677      2.418960
  H      -4.790882      6.053449      5.738840
  H      -3.513382      6.534682      6.865696
  H      -2.412328      7.790995      4.887275
  H      -3.952102      8.432827      5.481240
  H      -3.766258      8.337980      2.948443
  H      -3.642222      6.580127      3.041974
  H      -8.108058      8.332972      5.372409
  H      -9.551195      6.079222      1.648081
  H      -8.406960      5.002177     -0.307479
  H      -5.919681      5.075438     -0.507737
  H      -4.557122      6.205225      1.208580
  H      -6.267741      2.059848      7.716808
  H      -6.426552      2.397247      5.990604
  H      -6.288150      4.526289      8.183496
  H      -6.379218      4.851969      6.455853
  H      -8.507179      3.238291      7.929489
  H      -8.592318      4.969035      7.739000
  H      -7.956998      3.726229      2.771997
  H     -12.527376      3.567583      3.264848
  H     -14.086039      3.647792      5.228069
  H     -13.181412      3.841709      7.536417
  H     -10.744042      3.958911      7.911312
  N      -5.249295      3.900563      4.000217
  H      -5.218340      4.505945      3.184458
  H      -6.240535      3.824358      4.290922
98
Coordinates from ORCA-job orca E -6204.211253688701
  N      -2.875555      1.894134      4.323190
  Mo     -3.717562      3.434640      5.149679
  N      -4.579747      2.902462      6.794696
  C      -3.765849      2.602699      7.969982
  C      -2.408570      2.081232      7.523323
  N      -1.872426      2.938973      6.440002
  C      -0.875843      2.229021      5.603335
  C      -1.606302      1.283268      4.659235
  C      -1.326237      4.229146      6.931363
  C      -1.479500      5.230694      5.797143
  N      -2.875683      5.180771      5.358445
  H      -0.994581      1.113974      3.754589
  H      -1.763056      0.297067      5.126839
  H      -0.329297      2.983400      5.026214
  H      -0.150933      1.696241      6.238642
  H      -1.206638      6.243769      6.128158
  H      -0.807744      4.978889      4.960315
  H      -1.940251      4.557260      7.782838
  H      -0.284408      4.116908      7.274447
  H      -4.256189      1.829262      8.582613
  H      -3.659041      3.497097      8.610166
  H      -2.543004      1.076733      7.099790
  H      -1.698046      2.012866      8.365029
  C      -3.913303      1.044375      3.708037
  C      -3.955655     -0.416009      4.161877
  C      -5.351950     -1.034738      3.920349
  C      -5.873545     -0.767214      2.532840
  N      -6.735728      0.239204      2.410507
  C      -7.174338      0.541631      1.158098
  N      -6.838846     -0.044288      0.024786
  C      -5.966175     -1.092309      0.125285
  C      -5.572496     -1.777403     -1.050694
  C      -4.693953     -2.838048     -0.970021
  C      -4.178786     -3.255233      0.280637
  C      -4.545123     -2.606007      1.442664
  C      -5.444121     -1.510911      1.393435
  C      -3.680396      6.334605      5.779911
  C      -3.437398      7.583082      4.927029
  C      -4.021383      7.458851      3.517914
  C      -5.529916      7.384289      3.487946
  N      -6.191350      7.910935      4.510416
  C      -7.550682      7.836530      4.493648
  N      -8.315291      7.276958      3.577927
  C      -7.659615      6.732496      2.508001
  C      -8.417788      6.106730      1.488340
  C      -7.780588      5.532732      0.404498
  C      -6.369464      5.574420      0.293195
  C      -5.605950      6.186483      1.267781
  C      -6.229935      6.769079      2.404617
  C      -6.030994      2.823242      6.930823
  C      -6.687967      4.176224      7.218602
  C      -8.205870      4.085123      7.273656
  C      -8.870259      3.886677      5.934195
  N      -8.111265      3.814522      4.844827
  C      -8.737995      3.657230      3.645989
  N     -10.031003      3.571316      3.422839
  C     -10.838787      3.641824      4.526317
  C     -12.243505      3.561062      4.363053
  C     -13.072400      3.633000      5.465350
  C     -12.533601      3.787672      6.763786
  C     -11.168705      3.870897      6.950451
  C     -10.292329      3.800817      5.838739
  H      -3.829545      1.103946      2.606730
  H      -4.867121      1.520869      3.942251
  H      -3.738358     -0.490935      5.239413
  H      -3.186739     -1.001089      3.634553
  H      -5.301392     -2.115348      4.121058
  H      -6.071188     -0.592734      4.623859
  H      -7.887117      1.371118      1.096440
  H      -5.986408     -1.443638     -2.004168
  H      -4.395268     -3.366176     -1.877407
  H      -3.490549     -4.100999      0.323386
  H      -4.147008     -2.940037      2.403140
  H      -4.743749      6.065873      5.718029
  H      -3.467901      6.550123      6.841659
  H      -2.358983      7.786718      4.850852
  H      -3.895340      8.438174      5.442969
  H      -3.715859      8.331567      2.915184
  H      -3.592907      6.575991      3.013929
  H      -8.057708      8.291908      5.350850
  H      -9.504150      6.084039      1.597152
  H      -8.367130      5.043869     -0.375085
  H      -5.884215      5.124472     -0.575936
  H      -4.518415      6.225310      1.158147
  H      -6.278765      2.103961      7.729866
  H      -6.452523      2.418281      5.998928
  H      -6.307745      4.579758      8.165042
  H      -6.404326      4.879638      6.427319
  H      -8.519625      3.274074      7.948790
  H      -8.615744      5.004629      7.722756
  H      -8.079187      3.613113      2.776082
  H     -12.636774      3.443018      3.352866
  H     -14.155086      3.571143      5.337993
  H     -13.205998      3.842863      7.623388
  H     -10.763229      3.993138      7.955123
  N      -5.222812      3.911852      3.993854
  H      -5.185587      4.501223      3.162923
  H      -6.214101      3.829698      4.281846
98
Coordinates from ORCA-job orca E -6204.212286055180
  N      -2.887874      1.904871      4.311078
  Mo     -3.706487      3.451809      5.158678
  N      -4.571385      2.926227      6.808140
  C      -3.754100      2.615730      7.979485
  C      -2.403514      2.082631      7.522695
  N      -1.863536      2.936359      6.436850
  C      -0.881423      2.218557      5.586837
  C      -1.631644      1.270409      4.661531
  C      -1.298256      4.219173      6.927301
  C      -1.443801      5.226056      5.796892
  N      -2.840359      5.187267      5.363287
  H      -1.022685      1.067249      3.762365
  H      -1.810070      0.298230      5.150465
  H      -0.343547      2.969253      4.995528
  H      -0.145971      1.687768      6.212433
  H      -1.163677      6.235726      6.133243
  H      -0.774815      4.975554      4.957835
  H      -1.904115      4.552865      7.781691
  H      -0.255169      4.090761      7.266242
  H      -4.248960      1.844049      8.592914
  H      -3.636516      3.507517      8.623275
  H      -2.547388      1.078355      7.100096
  H      -1.689333      2.009701      8.361290
  C      -3.940821      1.057950      3.709380
  C      -3.985861     -0.401110      4.167369
  C      -5.380840     -1.019555      3.921721
  C      -5.903391     -0.754662      2.534346
  N      -6.779763      0.238425      2.411535
  C      -7.216138      0.539811      1.157498
  N      -6.864681     -0.034565      0.024155
  C      -5.976286     -1.069500      0.125952
  C      -5.564129     -1.743042     -1.050668
  C      -4.671540     -2.792169     -0.968919
  C      -4.159555     -3.210272      0.283390
  C      -4.543047     -2.571333      1.445236
  C      -5.455970     -1.486977      1.394047
  C      -3.637499      6.349487      5.780005
  C      -3.407206      7.587589      4.907524
  C      -4.009538      7.442120      3.508971
  C      -5.519466      7.363423      3.493974
  N      -6.172784      7.886515      4.523399
  C      -7.531799      7.806532      4.517814
  N      -8.302573      7.246524      3.606620
  C      -7.656950      6.706168      2.530101
  C      -8.423542      6.080156      1.515317
  C      -7.797178      5.512386      0.425479
  C      -6.388413      5.557024      0.302862
  C      -5.617309      6.167714      1.272929
  C      -6.230229      6.747142      2.414846
  C      -6.023623      2.845626      6.955330
  C      -6.693195      4.197883      7.225048
  C      -8.215440      4.100640      7.260989
  C      -8.876969      3.883594      5.920565
  N      -8.115717      3.795435      4.836728
  C      -8.736575      3.614388      3.637875
  N     -10.027111      3.520443      3.408711
  C     -10.838666      3.608143      4.505687
  C     -12.241361      3.516452      4.335047
  C     -13.075715      3.599976      5.429564
  C     -12.544666      3.777695      6.728658
  C     -11.181454      3.872212      6.922613
  C     -10.299320      3.790178      5.818122
  H      -3.860217      1.112325      2.607845
  H      -4.895029      1.541440      3.944223
  H      -3.776151     -0.473640      5.246620
  H      -3.213397     -0.987644      3.646757
  H      -5.330271     -2.100158      4.122754
  H      -6.101494     -0.577621      4.623830
  H      -7.941945      1.357540      1.095386
  H      -5.976534     -1.410182     -2.004959
  H      -4.359365     -3.311828     -1.876516
  H      -3.461323     -4.048018      0.326978
  H      -4.149260     -2.906917      2.406747
  H      -4.700842      6.082511      5.737650
  H      -3.409457      6.578003      6.836121
  H      -2.329581      7.790892      4.814773
  H      -3.858545      8.449783      5.417298
  H      -3.711569      8.306075      2.889832
  H      -3.586634      6.554698      3.013227
  H      -8.031303      8.258062      5.380959
  H      -9.507778      6.053522      1.633559
  H      -8.389472      5.023856     -0.350288
  H      -5.911319      5.109524     -0.570458
  H      -4.532578      6.207755      1.155393
  H      -6.260697      2.136902      7.768404
  H      -6.449427      2.421487      6.033305
  H      -6.327284      4.611616      8.176027
  H      -6.400940      4.899363      6.431943
  H      -8.531817      3.293010      7.942872
  H      -8.633161      5.023349      7.697754
  H      -8.071755      3.549763      2.774289
  H     -12.629057      3.379170      3.325000
  H     -14.156830      3.528765      5.296565
  H     -13.221426      3.840879      7.581644
  H     -10.782542      4.010837      7.927804
  N      -5.212815      3.940833      4.018396
  H      -5.181054      4.511199      3.170411
  H      -6.199650      3.878053      4.329347
98
Coordinates from ORCA-job orca E -6204.213147005625
  N      -2.893575      1.900682      4.317535
  Mo     -3.691431      3.461129      5.161620
  N      -4.562925      2.950854      6.813790
  C      -3.748019      2.643126      7.988047
  C      -2.401122      2.093885      7.535896
  N      -1.851665      2.935779      6.445287
  C      -0.881450      2.206522      5.590103
  C      -1.643412      1.257241      4.676222
  C      -1.271208      4.213319      6.929598
  C      -1.410009      5.219631      5.796978
  N      -2.806734      5.187839      5.365190
  H      -1.036874      1.033615      3.780105
  H      -1.831498      0.293197      5.177891
  H      -0.344652      2.951733      4.990517
  H      -0.141840      1.673700      6.209900
  H      -1.125747      6.228291      6.133659
  H      -0.741364      4.966490      4.958863
  H      -1.869605      4.555218      7.785572
  H      -0.228195      4.074709      7.265511
  H      -4.249671      1.880091      8.607963
  H      -3.622329      3.538269      8.626386
  H      -2.552887      1.087196      7.121871
  H      -1.689029      2.021325      8.376467
  C      -3.951033      1.059983      3.716878
  C      -4.013842     -0.394895      4.187061
  C      -5.414988     -0.999179      3.939406
  C      -5.937969     -0.732342      2.552582
  N      -6.819395      0.256059      2.431188
  C      -7.255237      0.557399      1.176915
  N      -6.897888     -0.011402      0.043256
  C      -6.002659     -1.040468      0.143611
  C      -5.582390     -1.706695     -1.033976
  C      -4.683339     -2.750335     -0.953375
  C      -4.173459     -3.170608      0.298956
  C      -4.564910     -2.538561      1.461594
  C      -5.483586     -1.458863      1.411125
  C      -3.598275      6.355509      5.779346
  C      -3.381377      7.586146      4.892342
  C      -3.995021      7.433000      3.499964
  C      -5.504787      7.343118      3.491138
  N      -6.157662      7.831041      4.538317
  C      -7.515453      7.738299      4.536167
  N      -8.285186      7.196065      3.612899
  C      -7.640837      6.692759      2.518165
  C      -8.406956      6.088695      1.488889
  C      -7.781977      5.560488      0.379723
  C      -6.375082      5.623540      0.251530
  C      -5.604598      6.212566      1.236349
  C      -6.216306      6.752194      2.397328
  C      -6.015733      2.863630      6.958640
  C      -6.700138      4.212028      7.217395
  C      -8.223947      4.101949      7.245670
  C      -8.887495      3.861736      5.908369
  N      -8.129546      3.766588      4.823440
  C      -8.750512      3.564437      3.627675
  N     -10.040275      3.455540      3.402393
  C     -10.849793      3.550536      4.500005
  C     -12.251718      3.444145      4.332754
  C     -13.084861      3.531500      5.427699
  C     -12.553427      3.728134      6.724297
  C     -11.190699      3.838508      6.915074
  C     -10.309648      3.753299      5.809648
  H      -3.859951      1.104727      2.615597
  H      -4.905924      1.550406      3.939020
  H      -3.811814     -0.458459      5.268200
  H      -3.244930     -0.995213      3.677518
  H      -5.377676     -2.080236      4.140513
  H      -6.130738     -0.549573      4.641500
  H      -7.986543      1.370258      1.115539
  H      -5.994084     -1.372981     -1.987823
  H      -4.364733     -3.264589     -1.861633
  H      -3.470757     -4.004531      0.341612
  H      -4.173898     -2.876864      2.422724
  H      -4.662233      6.090305      5.758680
  H      -3.352813      6.597601      6.828958
  H      -2.304930      7.792379      4.789538
  H      -3.831004      8.449999      5.400973
  H      -3.706223      8.296476      2.875745
  H      -3.568691      6.548710      3.002972
  H      -8.014122      8.160238      5.414630
  H      -9.489391      6.046912      1.611151
  H      -8.373591      5.088811     -0.407420
  H      -5.900120      5.208364     -0.638358
  H      -4.522093      6.268366      1.115531
  H      -6.249778      2.157634      7.775920
  H      -6.437766      2.430955      6.038531
  H      -6.345045      4.632557      8.171485
  H      -6.406618      4.915081      6.423954
  H      -8.534373      3.298596      7.937485
  H      -8.650028      5.026135      7.671003
  H      -8.085359      3.491622      2.764129
  H     -12.640258      3.291807      3.324911
  H     -14.165176      3.448680      5.296873
  H     -13.229320      3.793097      7.577696
  H     -10.791640      3.991194      7.918336
  N      -5.187331      3.957870      4.017783
  H      -5.148524      4.526569      3.168988
  H      -6.178752      3.857481      4.303798
98
Coordinates from ORCA-job orca E -6204.214419506520
  N      -2.938729      1.913138      4.314906
  Mo     -3.700131      3.488902      5.170407
  N      -4.556138      2.979042      6.831352
  C      -3.731718      2.670004      8.000338
  C      -2.391598      2.106382      7.539464
  N      -1.845103      2.941600      6.441103
  C      -0.900708      2.205632      5.563466
  C      -1.686378      1.264604      4.664191
  C      -1.239991      4.208666      6.922734
  C      -1.390186      5.226934      5.800306
  N      -2.793819      5.203991      5.384804
  H      -1.093185      1.026862      3.762329
  H      -1.874913      0.305633      5.175424
  H      -0.372854      2.950162      4.954691
  H      -0.149157      1.664558      6.162589
  H      -1.101485      6.231445      6.145980
  H      -0.730693      4.983896      4.952446
  H      -1.816407      4.550034      7.793588
  H      -0.193178      4.055661      7.237277
  H      -4.233145      1.914293      8.628463
  H      -3.591686      3.565569      8.634069
  H      -2.554900      1.099098      7.133055
  H      -1.673001      2.031404      8.374062
  C      -3.997636      1.072460      3.713104
  C      -4.075706     -0.377521      4.197397
  C      -5.474815     -0.979663      3.935884
  C      -5.983586     -0.720870      2.543142
  N      -6.870417      0.260546      2.410763
  C      -7.294243      0.555840      1.151674
  N      -6.918210     -0.010640      0.023208
  C      -6.015652     -1.032406      0.134435
  C      -5.574358     -1.694894     -1.036962
  C      -4.668343     -2.731550     -0.944501
  C      -4.173220     -3.148539      0.314110
  C      -4.585239     -2.519733      1.471144
  C      -5.510225     -1.446156      1.408405
  C      -3.569585      6.383820      5.800553
  C      -3.358221      7.600110      4.893774
  C      -3.971727      7.426925      3.505015
  C      -5.479609      7.327826      3.491840
  N      -6.141744      7.788813      4.545476
  C      -7.498470      7.686957      4.533271
  N      -8.258607      7.161595      3.594292
  C      -7.603516      6.684503      2.492869
  C      -8.356675      6.095204      1.447412
  C      -7.717695      5.583821      0.336884
  C      -6.309137      5.649458      0.224661
  C      -5.551552      6.229540      1.223212
  C      -6.178482      6.752569      2.383826
  C      -6.009834      2.878258      6.977847
  C      -6.709724      4.222378      7.218146
  C      -8.233091      4.100819      7.240024
  C      -8.895805      3.834893      5.907793
  N      -8.142344      3.728677      4.819473
  C      -8.765883      3.502629      3.630030
  N     -10.055011      3.378255      3.414276
  C     -10.860480      3.482543      4.514768
  C     -12.261676      3.360899      4.356859
  C     -13.091416      3.460923      5.454587
  C     -12.556951      3.685441      6.744538
  C     -11.194657      3.810252      6.926239
  C     -10.317006      3.712686      5.817789
  H      -3.894560      1.106313      2.612021
  H      -4.955886      1.562790      3.922297
  H      -3.891707     -0.426945      5.282134
  H      -3.302105     -0.988146      3.708682
  H      -5.445706     -2.059689      4.143016
  H      -6.196265     -0.523284      4.627536
  H      -8.031638      1.362509      1.081521
  H      -5.975652     -1.364370     -1.995737
  H      -4.332999     -3.243035     -1.848102
  H      -3.465342     -3.977422      0.365999
  H      -4.206497     -2.856386      2.436941
  H      -4.636595      6.129561      5.807751
  H      -3.299141      6.641516      6.841022
  H      -2.281419      7.804050      4.786728
  H      -3.807050      8.471280      5.391003
  H      -3.686955      8.282920      2.868339
  H      -3.538415      6.539881      3.017874
  H      -8.005703      8.085921      5.417678
  H      -9.439966      6.046853      1.559031
  H      -8.299093      5.119944     -0.461511
  H      -5.822787      5.240940     -0.661993
  H      -4.467850      6.288122      1.116400
  H      -6.237759      2.181125      7.803933
  H      -6.428364      2.428122      6.065017
  H      -6.365409      4.653189      8.170791
  H      -6.416486      4.921916      6.421743
  H      -8.539117      3.307393      7.944369
  H      -8.667668      5.027895      7.649323
  H      -8.104549      3.430625      2.762311
  H     -12.652930      3.187705      3.353973
  H     -14.171256      3.367175      5.330538
  H     -13.229895      3.760720      7.600002
  H     -10.793339      3.984689      7.924468
  N      -5.197134      4.005455      4.038827
  H      -5.155120      4.569896      3.186954
  H      -6.191458      3.906360      4.326286
98
Coordinates from ORCA-job orca E -6204.215368308061
  N      -2.980622      1.904853      4.309747
  Mo     -3.708358      3.500907      5.172333
  N      -4.538937      2.991635      6.851338
  C      -3.699023      2.685817      8.015820
  C      -2.362564      2.113105      7.541504
  N      -1.826802      2.943337      6.428525
  C      -0.908168      2.200823      5.526218
  C      -1.716866      1.261499      4.644089
  C      -1.201233      4.205904      6.900661
  C      -1.373499      5.233458      5.786229
  N      -2.786890      5.211468      5.393750
  H      -1.140416      1.012705      3.734646
  H      -1.898134      0.306420      5.167363
  H      -0.393673      2.946609      4.905066
  H      -0.141298      1.655511      6.103308
  H      -1.082423      6.235877      6.136348
  H      -0.727980      5.000358      4.925913
  H      -1.753599      4.545489      7.786507
  H      -0.147409      4.045113      7.189267
  H      -4.195291      1.938508      8.658573
  H      -3.544893      3.585690      8.639979
  H      -2.533070      1.102649      7.145603
  H      -1.634639      2.041836      8.367634
  C      -4.031566      1.055284      3.705643
  C      -4.116904     -0.386451      4.209885
  C      -5.512159     -0.987580      3.936565
  C      -6.009158     -0.738864      2.537739
  N      -6.894989      0.240415      2.391686
  C      -7.306385      0.527244      1.126548
  N      -6.917682     -0.043803      0.005518
  C      -6.015518     -1.063647      0.131471
  C      -5.560045     -1.730914     -1.031514
  C      -4.655424     -2.766171     -0.924322
  C      -4.175786     -3.178288      0.341433
  C      -4.601251     -2.544047      1.490303
  C      -5.524393     -1.471026      1.411674
  C      -3.551983      6.399930      5.820042
  C      -3.363675      7.609921      4.899103
  C      -4.000866      7.427083      3.523929
  C      -5.507329      7.319990      3.530356
  N      -6.157892      7.750216      4.603327
  C      -7.513331      7.637244      4.605066
  N      -8.280751      7.130650      3.663451
  C      -7.638489      6.685664      2.541579
  C      -8.400820      6.116341      1.492532
  C      -7.772802      5.632997      0.365393
  C      -6.366782      5.707517      0.238843
  C      -5.601232      6.272295      1.238946
  C      -6.216840      6.766768      2.415826
  C      -5.995996      2.892454      7.016167
  C      -6.696044      4.237483      7.247118
  C      -8.221183      4.120566      7.241610
  C      -8.861196      3.852150      5.898441
  N      -8.086126      3.742890      4.826754
  C      -8.683465      3.504013      3.625073
  N      -9.966399      3.365888      3.383440
  C     -10.795591      3.476546      4.465641
  C     -12.191674      3.343043      4.276342
  C     -13.046660      3.449910      5.352745
  C     -12.543111      3.692348      6.653244
  C     -11.185613      3.826958      6.865832
  C     -10.281806      3.723200      5.778736
  H      -3.912827      1.071234      2.605914
  H      -5.003840      1.543590      3.901564
  H      -3.952231     -0.417219      5.298593
  H      -3.335826     -1.005314      3.744189
  H      -5.490497     -2.065475      4.153712
  H      -6.239022     -0.521665      4.616201
  H      -8.044500      1.331616      1.044972
  H      -5.949861     -1.404730     -1.995799
  H      -4.308800     -3.281310     -1.821511
  H      -3.469469     -4.006407      0.404936
  H      -4.235066     -2.876433      2.461356
  H      -4.618083      6.148854      5.860079
  H      -3.252894      6.669600      6.850440
  H      -2.289055      7.816194      4.770949
  H      -3.805608      8.482896      5.400104
  H      -3.727924      8.279292      2.876392
  H      -3.573008      6.540756      3.034037
  H      -8.012272      8.007444      5.506067
  H      -9.482256      6.059134      1.615587
  H      -8.360847      5.182965     -0.435623
  H      -5.887956      5.315613     -0.657279
  H      -4.520793      6.338021      1.122062
  H      -6.215269      2.203933      7.852018
  H      -6.423613      2.431200      6.112618
  H      -6.366920      4.667446      8.208074
  H      -6.385058      4.937934      6.454491
  H      -8.544994      3.328778      7.943941
  H      -8.659078      5.051217      7.638827
  H      -8.001828      3.424050      2.772516
  H     -12.558685      3.155841      3.265664
  H     -14.122570      3.347451      5.204369
  H     -13.235421      3.773027      7.490836
  H     -10.809220      4.014582      7.872482
  N      -5.209635      4.025825      4.058954
  H      -5.168741      4.578759      3.197103
  H      -6.205097      3.905276      4.340039
98
Coordinates from ORCA-job orca E -6204.216137379136
  N      -3.022165      1.908793      4.307660
  Mo     -3.713867      3.522142      5.172902
  N      -4.534865      3.011783      6.854414
  C      -3.693857      2.703571      8.014117
  C      -2.364057      2.118574      7.537249
  N      -1.826966      2.942784      6.422531
  C      -0.933118      2.191656      5.506473
  C      -1.762342      1.258661      4.640308
  C      -1.181585      4.194426      6.892217
  C      -1.359842      5.233600      5.789888
  N      -2.776303      5.222020      5.410300
  H      -1.196665      0.993887      3.728353
  H      -1.950736      0.310740      5.174399
  H      -0.423045      2.933210      4.877164
  H      -0.161456      1.638215      6.068358
  H      -1.064414      6.230858      6.150111
  H      -0.721681      5.008848      4.921120
  H      -1.716064      4.532402      7.790121
  H      -0.125884      4.020651      7.161761
  H      -4.193894      1.963682      8.660838
  H      -3.528445      3.604869      8.632390
  H      -2.543701      1.108610      7.145148
  H      -1.633828      2.044076      8.360860
  C      -4.062342      1.056538      3.692804
  C      -4.160585     -0.377588      4.217372
  C      -5.551183     -0.981408      3.923862
  C      -6.023341     -0.744171      2.514147
  N      -6.911958      0.229975      2.345676
  C      -7.303526      0.505941      1.071804
  N      -6.891639     -0.070482     -0.038660
  C      -5.986222     -1.084987      0.109612
  C      -5.506469     -1.757288     -1.040577
  C      -4.598467     -2.787482     -0.910255
  C      -4.139725     -3.188694      0.366640
  C      -4.589030     -2.549322      1.503889
  C      -5.515978     -1.481637      1.401788
  C      -3.524380      6.419261      5.837806
  C      -3.347383      7.617744      4.900072
  C      -3.994653      7.419339      3.531640
  C      -5.499781      7.305707      3.550862
  N      -6.142630      7.709737      4.638442
  C      -7.497725      7.586620      4.652141
  N      -8.271363      7.094494      3.708683
  C      -7.636341      6.676777      2.570682
  C      -8.403792      6.122336      1.518708
  C      -7.781432      5.665493      0.375099
  C      -6.376651      5.753933      0.235187
  C      -5.605635      6.304449      1.238952
  C      -6.215386      6.771270      2.431856
  C      -5.991505      2.905045      7.011149
  C      -6.695197      4.251984      7.220153
  C      -8.219423      4.137086      7.220029
  C      -8.863561      3.845905      5.885682
  N      -8.095063      3.719149      4.810436
  C      -8.697651      3.460155      3.616454
  N      -9.981607      3.316113      3.386367
  C     -10.805003      3.446997      4.471810
  C     -12.202268      3.311596      4.294394
  C     -13.051259      3.442526      5.374106
  C     -12.540027      3.711127      6.665447
  C     -11.181341      3.846508      6.866418
  C     -10.283734      3.717927      5.776469
  H      -3.919810      1.055325      2.595941
  H      -5.034957      1.541030      3.862700
  H      -4.019437     -0.388792      5.309922
  H      -3.370495     -1.005688      3.779843
  H      -5.534835     -2.057612      4.151232
  H      -6.290149     -0.508959      4.585881
  H      -8.045573      1.305236      0.972895
  H      -5.880572     -1.439482     -2.014404
  H      -4.232871     -3.306589     -1.797689
  H      -3.430173     -4.013211      0.448180
  H      -4.238662     -2.873261      2.484423
  H      -4.591514      6.175927      5.905568
  H      -3.199612      6.698707      6.857006
  H      -2.274203      7.823298      4.761495
  H      -3.785910      8.495941      5.395122
  H      -3.731198      8.265134      2.871925
  H      -3.565541      6.529098      3.046094
  H      -7.991053      7.932693      5.566365
  H      -9.484188      6.055579      1.650946
  H      -8.374016      5.228094     -0.429604
  H      -5.901620      5.382889     -0.673480
  H      -4.525550      6.380930      1.112328
  H      -6.210863      2.229766      7.856639
  H      -6.411855      2.425877      6.113553
  H      -6.366808      4.694582      8.172908
  H      -6.385260      4.940449      6.419749
  H      -8.542928      3.362208      7.937632
  H      -8.655211      5.075800      7.600560
  H      -8.020682      3.363405      2.762224
  H     -12.574762      3.104872      3.290344
  H     -14.128475      3.339515      5.235000
  H     -13.227673      3.811962      7.506083
  H     -10.799384      4.054694      7.866178
  N      -5.216238      4.061649      4.070755
  H      -5.173677      4.601513      3.202768
  H      -6.213678      3.950456      4.358554
98
Coordinates from ORCA-job orca E -6204.216668738544
  N      -3.044635      1.901667      4.310775
  Mo     -3.710404      3.530737      5.171769
  N      -4.525077      3.024858      6.857251
  C      -3.681613      2.718393      8.012825
  C      -2.357864      2.123903      7.532871
  N      -1.820751      2.940714      6.414303
  C      -0.943664      2.181695      5.490131
  C      -1.787312      1.247013      4.641759
  C      -1.159992      4.185907      6.875318
  C      -1.343404      5.228286      5.778314
  N      -2.762450      5.224474      5.415006
  H      -1.231054      0.967062      3.728467
  H      -1.979620      0.307153      5.188468
  H      -0.440064      2.918293      4.849890
  H      -0.166222      1.627152      6.042721
  H      -1.040281      6.222841      6.139443
  H      -0.714804      5.002668      4.902372
  H      -1.678567      4.527206      7.781518
  H      -0.101669      4.002705      7.128230
  H      -4.183550      1.985888      8.666298
  H      -3.506864      3.623586      8.623365
  H      -2.544179      1.113309      7.145489
  H      -1.625165      2.049657      8.354506
  C      -4.074980      1.047812      3.686457
  C      -4.189375     -0.378773      4.231328
  C      -5.579290     -0.978625      3.922504
  C      -6.031862     -0.749030      2.504704
  N      -6.915404      0.226903      2.317479
  C      -7.290262      0.494889      1.036539
  N      -6.866025     -0.090874     -0.064561
  C      -5.965828     -1.107126      0.102920
  C      -5.473832     -1.789738     -1.036200
  C      -4.571146     -2.822281     -0.886486
  C      -4.129598     -3.215382      0.399335
  C      -4.590851     -2.565757      1.526156
  C      -5.512964     -1.495841      1.404122
  C      -3.502190      6.423024      5.848269
  C      -3.346745      7.618650      4.902867
  C      -4.014030      7.414388      3.544619
  C      -5.519159      7.298294      3.584079
  N      -6.148302      7.680801      4.687176
  C      -7.503428      7.553478      4.716637
  N      -8.288646      7.076398      3.774460
  C      -7.668065      6.684051      2.619603
  C      -8.448599      6.149485      1.566543
  C      -7.841095      5.722707      0.403391
  C      -6.439059      5.821674      0.244905
  C      -5.655064      6.350016      1.251514
  C      -6.249415      6.786694      2.463344
  C      -5.980526      2.916113      7.015480
  C      -6.684774      4.265085      7.209094
  C      -8.208719      4.152998      7.203274
  C      -8.843906      3.843509      5.869277
  N      -8.066979      3.699645      4.802826
  C      -8.658951      3.421638      3.607882
  N      -9.941479      3.279529      3.368216
  C     -10.773779      3.429443      4.444377
  C     -12.170078      3.296656      4.256416
  C     -13.027906      3.446664      5.326379
  C     -12.526688      3.732646      6.617850
  C     -11.169286      3.865680      6.828892
  C     -10.262959      3.717333      5.749464
  H      -3.906746      1.026867      2.593486
  H      -5.047546      1.535305      3.828897
  H      -4.068225     -0.372879      5.326426
  H      -3.394620     -1.017802      3.818784
  H      -5.571479     -2.053151      4.158671
  H      -6.325375     -0.497619      4.570322
  H      -8.028048      1.296224      0.922668
  H      -5.834473     -1.478064     -2.017370
  H      -4.196302     -3.349371     -1.765372
  H      -3.423874     -4.041881      0.496036
  H      -4.253631     -2.882763      2.513953
  H      -4.567307      6.178670      5.939950
  H      -3.155949      6.706584      6.858714
  H      -2.277019      7.829236      4.747274
  H      -3.781278      8.496279      5.402414
  H      -3.760487      8.256851      2.877136
  H      -3.591006      6.521928      3.056339
  H      -7.985651      7.882655      5.643073
  H      -9.526772      6.075694      1.712460
  H      -8.443970      5.302786     -0.403268
  H      -5.975521      5.477968     -0.680800
  H      -4.576778      6.434429      1.110874
  H      -6.195707      2.252118      7.870860
  H      -6.400350      2.423360      6.124901
  H      -6.360492      4.715806      8.159057
  H      -6.370691      4.945826      6.404606
  H      -8.538856      3.390363      7.930163
  H      -8.643965      5.098919      7.567112
  H      -7.974515      3.315482      2.761404
  H     -12.534203      3.076559      3.252314
  H     -14.104374      3.345595      5.179482
  H     -13.221308      3.849443      7.450814
  H     -10.795493      4.088094      7.828581
  N      -5.217211      4.072242      4.083742
  H      -5.181006      4.586719      3.200527
  H      -6.212795      3.953354      4.375012
98
Coordinates from ORCA-job orca E -6204.217015812195
  N      -3.044308      1.891111      4.316331
  Mo     -3.687990      3.539556      5.159742
  N      -4.516693      3.047157      6.841785
  C      -3.680625      2.745280      8.002142
  C      -2.361011      2.134540      7.534067
  N      -1.810381      2.937449      6.413667
  C      -0.942134      2.164447      5.493243
  C      -1.794067      1.228530      4.655695
  C      -1.133075      4.175639      6.866125
  C      -1.309033      5.216887      5.767727
  N      -2.727963      5.225356      5.412502
  H      -1.240180      0.932189      3.745988
  H      -1.996615      0.297099      5.213086
  H      -0.436076      2.891996      4.844806
  H      -0.166370      1.608222      6.046868
  H      -0.994316      6.209162      6.125615
  H      -0.685838      4.981607      4.890277
  H      -1.640317      4.526830      7.775156
  H      -0.074870      3.980103      7.110955
  H      -4.191969      2.025097      8.662096
  H      -3.498547      3.656381      8.602466
  H      -2.554443      1.122851      7.153461
  H      -1.634221      2.060686      8.361281
  C      -4.060375      1.041492      3.670627
  C      -4.210746     -0.374134      4.239715
  C      -5.603410     -0.957593      3.907055
  C      -6.024213     -0.736968      2.477811
  N      -6.890095      0.249012      2.261858
  C      -7.237587      0.505780      0.970738
  N      -6.802366     -0.100506     -0.115053
  C      -5.919742     -1.126491      0.081996
  C      -5.417276     -1.830938     -1.039301
  C      -4.531883     -2.873593     -0.859833
  C      -4.118216     -3.255223      0.438912
  C      -4.590179     -2.584434      1.548851
  C      -5.495495     -1.504139      1.396201
  C      -3.463868      6.421942      5.851272
  C      -3.342815      7.613617      4.896250
  C      -4.043516      7.398552      3.556390
  C      -5.546462      7.269225      3.635831
  N      -6.148333      7.622170      4.763589
  C      -7.500850      7.477405      4.828771
  N      -8.306384      7.003817      3.901289
  C      -7.714383      6.643004      2.721687
  C      -8.518560      6.117955      1.680672
  C      -7.941658      5.734631      0.487366
  C      -6.547987      5.866932      0.286601
  C      -5.740574      6.378871      1.284645
  C      -6.303249      6.772688      2.525551
  C      -5.972484      2.939693      6.993165
  C      -6.677494      4.291131      7.169753
  C      -8.201921      4.183347      7.162286
  C      -8.837759      3.858441      5.831430
  N      -8.060504      3.698638      4.767732
  C      -8.651598      3.410854      3.574042
  N      -9.935005      3.273862      3.333526
  C     -10.767850      3.441658      4.406770
  C     -12.165297      3.318662      4.217160
  C     -13.023737      3.486490      5.283946
  C     -12.522078      3.781545      6.573566
  C     -11.163821      3.906033      6.786033
  C     -10.257120      3.739525      5.710045
  H      -3.849725      0.993453      2.585641
  H      -5.030561      1.541514      3.768456
  H      -4.118149     -0.347338      5.337315
  H      -3.415628     -1.033345      3.861669
  H      -5.616499     -2.029386      4.154956
  H      -6.355969     -0.459139      4.533796
  H      -7.961656      1.315841      0.833191
  H      -5.755944     -1.527543     -2.030847
  H      -4.149100     -3.417405     -1.725016
  H      -3.425600     -4.089586      0.558997
  H      -4.274221     -2.891641      2.546707
  H      -4.524894      6.171207      5.971150
  H      -3.094569      6.713548      6.851097
  H      -2.279747      7.834877      4.712753
  H      -3.773506      8.488613      5.403831
  H      -3.812931      8.238460      2.877948
  H      -3.627822      6.505280      3.062037
  H      -7.960205      7.785286      5.773948
  H      -9.590044      6.020857      1.858008
  H      -8.563117      5.326158     -0.311331
  H      -6.109873      5.565893     -0.666621
  H      -4.668861      6.487976      1.112584
  H      -6.188406      2.287147      7.857239
  H      -6.389019      2.435417      6.107592
  H      -6.356052      4.750066      8.116877
  H      -6.359835      4.964557      6.360645
  H      -8.536706      3.432613      7.899448
  H      -8.632514      5.136534      7.512427
  H      -7.964979      3.285886      2.731820
  H     -12.529312      3.091297      3.214436
  H     -14.100790      3.392485      5.135980
  H     -13.217287      3.912583      7.404330
  H     -10.789786      4.136118      7.784157
  N      -5.188225      4.081879      4.072847
  H      -5.149320      4.569766      3.175292
  H      -6.184686      3.948711      4.354079
98
Coordinates from ORCA-job orca E -6204.217366408719
  N      -3.053530      1.890384      4.318011
  Mo     -3.685704      3.544142      5.160360
  N      -4.508026      3.052747      6.844949
  C      -3.664337      2.751787      7.999385
  C      -2.350770      2.137979      7.523910
  N      -1.805635      2.938577      6.400813
  C      -0.944315      2.162501      5.476331
  C      -1.804470      1.223203      4.651621
  C      -1.118749      4.174007      6.846491
  C      -1.302147      5.214887      5.750049
  N      -2.723362      5.228817      5.411480
  H      -1.258465      0.920254      3.739284
  H      -2.006881      0.295503      5.215268
  H      -0.445893      2.886888      4.818669
  H      -0.162860      1.610162      6.026165
  H      -0.977211      6.206199      6.102140
  H      -0.689751      4.974229      4.866407
  H      -1.612225      4.528654      7.761887
  H      -0.058157      3.973010      7.077385
  H      -4.172202      2.034225      8.664880
  H      -3.475969      3.664418      8.596002
  H      -2.548807      1.126868      7.144395
  H      -1.619473      2.063417      8.347360
  C      -4.063131      1.041353      3.663778
  C      -4.232072     -0.366737      4.249755
  C      -5.626885     -0.943062      3.910874
  C      -6.032547     -0.734828      2.475729
  N      -6.883451      0.259847      2.240165
  C      -7.218530      0.503789      0.943444
  N      -6.785590     -0.124081     -0.131123
  C      -5.917922     -1.158631      0.086233
  C      -5.418729     -1.886185     -1.021922
  C      -4.547871     -2.937498     -0.822040
  C      -4.145171     -3.304757      0.484472
  C      -4.614307     -2.611677      1.581810
  C      -5.505755     -1.522605      1.408231
  C      -3.456724      6.423369      5.855742
  C      -3.342393      7.616617      4.902208
  C      -4.052089      7.403803      3.566377
  C      -5.556622      7.295981      3.654038
  N      -6.148285      7.656784      4.784543
  C      -7.503288      7.537857      4.853614
  N      -8.320341      7.079114      3.928451
  C      -7.738566      6.711191      2.746197
  C      -8.555719      6.203570      1.706243
  C      -7.990694      5.819154      0.507662
  C      -6.596241      5.931812      0.301101
  C      -5.776149      6.423521      1.299270
  C      -6.326471      6.817295      2.545266
  C      -5.961264      2.934136      7.003623
  C      -6.675761      4.279700      7.184992
  C      -8.198582      4.161032      7.169559
  C      -8.815474      3.836623      5.830017
  N      -8.020776      3.686752      4.777747
  C      -8.592109      3.405315      3.573244
  N      -9.871244      3.262240      3.312868
  C     -10.720896      3.418584      4.374363
  C     -12.114962      3.290682      4.163033
  C     -12.990017      3.447448      5.217812
  C     -12.508985      3.735939      6.516540
  C     -11.154746      3.865305      6.750137
  C     -10.231673      3.710386      5.686911
  H      -3.829645      0.973860      2.584218
  H      -5.029716      1.551190      3.735634
  H      -4.150977     -0.325613      5.347847
  H      -3.438429     -1.037366      3.889709
  H      -5.649543     -2.011844      4.170497
  H      -6.381299     -0.432454      4.525364
  H      -7.930622      1.321425      0.789650
  H      -5.748016     -1.593179     -2.019713
  H      -4.167994     -3.498983     -1.677145
  H      -3.463536     -4.145728      0.620681
  H      -4.306608     -2.906964      2.585788
  H      -4.517102      6.172898      5.983706
  H      -3.079007      6.711916      6.853469
  H      -2.280577      7.837811      4.711591
  H      -3.768853      8.491850      5.413015
  H      -3.813268      8.236719      2.882599
  H      -3.652098      6.501540      3.075400
  H      -7.953317      7.854015      5.800382
  H      -9.627642      6.121724      1.888395
  H      -8.622273      5.424912     -0.290064
  H      -6.167792      5.634002     -0.657365
  H      -4.703463      6.515723      1.123378
  H      -6.166519      2.280896      7.869748
  H      -6.378421      2.426477      6.120535
  H      -6.359865      4.736760      8.134827
  H      -6.362108      4.959435      6.379923
  H      -8.534338      3.405116      7.900795
  H      -8.638089      5.110452      7.518939
  H      -7.891369      3.282928      2.742559
  H     -12.462809      3.068188      3.153622
  H     -14.064243      3.349188      5.053271
  H     -13.217083      3.857821      7.337616
  H     -10.796304      4.090022      7.755005
  N      -5.200194      4.079943      4.094244
  H      -5.176821      4.549217      3.185575
  H      -6.192556      3.953877      4.393564
98
Coordinates from ORCA-job orca E -6204.217704446479
  N      -3.054361      1.894442      4.316884
  Mo     -3.673502      3.557204      5.151728
  N      -4.501609      3.072104      6.835068
  C      -3.657568      2.777129      7.992258
  C      -2.347571      2.151360      7.522082
  N      -1.796921      2.942743      6.394898
  C      -0.941608      2.156317      5.472930
  C      -1.809156      1.220079      4.652624
  C      -1.097146      4.173514      6.835808
  C      -1.280451      5.214782      5.738582
  N      -2.703257      5.237129      5.408525
  H      -1.266637      0.909603      3.740761
  H      -2.017661      0.295213      5.219393
  H      -0.440730      2.874760      4.810475
  H      -0.162208      1.602385      6.024094
  H      -0.945950      6.204596      6.086320
  H      -0.674702      4.968390      4.852040
  H      -1.579995      4.533359      7.754744
  H      -0.036673      3.964230      7.059184
  H      -4.168291      2.068785      8.665314
  H      -3.463447      3.693793      8.580465
  H      -2.551948      1.139315      7.148500
  H      -1.617897      2.076698      8.346838
  C      -4.055991      1.050901      3.644958
  C      -4.263956     -0.343847      4.251378
  C      -5.663505     -0.899728      3.899142
  C      -6.042522     -0.707947      2.454825
  N      -6.866625      0.301491      2.189086
  C      -7.179190      0.527654      0.883827
  N      -6.747729     -0.131085     -0.172664
  C      -5.906506     -1.180353      0.075688
  C      -5.410488     -1.940630     -1.011665
  C      -4.565815     -3.006624     -0.780405
  C      -4.186937     -3.356371      0.537824
  C      -4.653853     -2.631734      1.615433
  C      -5.519080     -1.527210      1.409558
  C      -3.430550      6.431627      5.862891
  C      -3.328015      7.624337      4.907637
  C      -4.052648      7.409500      3.580312
  C      -5.556094      7.306838      3.685598
  N      -6.132395      7.658917      4.826754
  C      -7.486420      7.542214      4.912612
  N      -8.316094      7.091869      3.995028
  C      -7.750167      6.731918      2.802406
  C      -8.581103      6.231729      1.770180
  C      -8.032348      5.856493      0.561066
  C      -6.640753      5.970586      0.336522
  C      -5.807446      6.454554      1.327055
  C      -6.340934      6.838375      2.583312
  C      -5.954420      2.943543      6.991603
  C      -6.678858      4.284225      7.169584
  C      -8.200864      4.154969      7.148525
  C      -8.809823      3.822350      5.807311
  N      -8.009254      3.671825      4.759249
  C      -8.573069      3.378295      3.554162
  N      -9.850353      3.229363      3.288351
  C     -10.705638      3.384712      4.345365
  C     -12.097830      3.246437      4.128740
  C     -12.978546      3.400526      5.179405
  C     -12.505270      3.695898      6.479395
  C     -11.153022      3.835334      6.718298
  C     -10.224284      3.684151      5.659067
  H      -3.787414      0.958387      2.575310
  H      -5.016518      1.577026      3.676599
  H      -4.201326     -0.282507      5.349860
  H      -3.477556     -1.036567      3.918449
  H      -5.710390     -1.963656      4.174925
  H      -6.417488     -0.365504      4.493770
  H      -7.869125      1.359006      0.704614
  H      -5.720910     -1.660169     -2.019000
  H      -4.188286     -3.593134     -1.619606
  H      -3.525418     -4.208880      0.698900
  H      -4.364403     -2.913294      2.628673
  H      -4.489423      6.182815      6.006564
  H      -3.038741      6.720837      6.855215
  H      -2.268598      7.846588      4.704918
  H      -3.750074      8.499490      5.422321
  H      -3.817978      8.238214      2.890036
  H      -3.662102      6.503395      3.089076
  H      -7.923403      7.854420      5.866767
  H      -9.650388      6.147831      1.966469
  H      -8.674670      5.467221     -0.230366
  H      -6.225755      5.680320     -0.629883
  H      -4.736999      6.546240      1.138518
  H      -6.156966      2.291167      7.858887
  H      -6.367027      2.431729      6.108797
  H      -6.369342      4.743272      8.120636
  H      -6.367578      4.966971      6.365964
  H      -8.534458      3.399221      7.881005
  H      -8.647964      5.102688      7.492453
  H      -7.868453      3.262982      2.725664
  H     -12.439831      3.018198      3.118588
  H     -14.051325      3.294673      5.010436
  H     -13.217679      3.815133      7.297028
  H     -10.800218      4.065443      7.723916
  N      -5.189282      4.094204      4.090081
  H      -5.165517      4.547602      3.173054
  H      -6.183178      3.965375      4.385897
98
Coordinates from ORCA-job orca E -6204.218145786755
  N      -3.043054      1.910064      4.306249
  Mo     -3.665212      3.569036      5.143855
  N      -4.498248      3.080318      6.823194
  C      -3.651354      2.792098      7.983370
  C      -2.342120      2.161138      7.516490
  N      -1.789157      2.950523      6.387476
  C      -0.932039      2.159575      5.469903
  C      -1.801172      1.228998      4.644161
  C      -1.083814      4.179888      6.830225
  C      -1.270947      5.223383      5.733264
  N      -2.695510      5.248871      5.407716
  H      -1.258555      0.919435      3.732222
  H      -2.015370      0.301569      5.205626
  H      -0.427340      2.876389      4.808237
  H      -0.156323      1.605371      6.025494
  H      -0.931190      6.212813      6.077244
  H      -0.669546      4.975406      4.844419
  H      -1.560596      4.539571      7.752205
  H      -0.023506      3.967353      7.049811
  H      -4.161208      2.088966      8.662407
  H      -3.456180      3.711383      8.566078
  H      -2.549140      1.148751      7.144905
  H      -1.613514      2.085456      8.341732
  C      -4.036829      1.073545      3.612599
  C      -4.289217     -0.305001      4.239090
  C      -5.694854     -0.836661      3.878756
  C      -6.046971     -0.670363      2.425225
  N      -6.834832      0.357018      2.122627
  C      -7.124647      0.557626      0.808489
  N      -6.703210     -0.143183     -0.224458
  C      -5.897440     -1.210652      0.061656
  C      -5.413747     -2.015058     -0.998955
  C      -4.604138     -3.098987     -0.729621
  C      -4.249474     -3.423284      0.601460
  C      -4.705617     -2.656049      1.653689
  C      -5.535312     -1.532335      1.408620
  C      -3.420840      6.439695      5.878145
  C      -3.321308      7.638317      4.929825
  C      -4.044567      7.427727      3.601158
  C      -5.547289      7.322280      3.705726
  N      -6.122854      7.661473      4.851370
  C      -7.476030      7.541858      4.938297
  N      -8.306089      7.100004      4.017941
  C      -7.740938      6.752022      2.820829
  C      -8.571670      6.259706      1.785694
  C      -8.023307      5.893533      0.573489
  C      -6.631672      6.009394      0.348867
  C      -5.799002      6.488710      1.340886
  C      -6.332216      6.862454      2.600441
  C      -5.950068      2.937054      6.979080
  C      -6.685654      4.270864      7.164604
  C      -8.207384      4.129948      7.138851
  C      -8.816765      3.803330      5.795990
  N      -8.019795      3.665190      4.742777
  C      -8.587552      3.372448      3.539498
  N      -9.864697      3.215654      3.279387
  C     -10.715943      3.358086      4.340946
  C     -12.107668      3.209036      4.130826
  C     -12.984482      3.349105      5.186854
  C     -12.507801      3.640159      6.486380
  C     -11.155849      3.789999      6.719204
  C     -10.230794      3.653859      5.653892
  H      -3.730396      0.955907      2.555548
  H      -4.987754      1.619368      3.599514
  H      -4.240254     -0.221411      5.337022
  H      -3.515202     -1.023080      3.931504
  H      -5.770543     -1.892992      4.176506
  H      -6.444319     -0.271995      4.450743
  H      -7.784858      1.405653      0.598041
  H      -5.705034     -1.752899     -2.016803
  H      -4.235836     -3.719285     -1.548372
  H      -3.615141     -4.290046      0.792891
  H      -4.434893     -2.918567      2.677105
  H      -4.479189      6.190971      6.027389
  H      -3.023685      6.723274      6.870230
  H      -2.262222      7.863883      4.728594
  H      -3.746645      8.509730      5.448051
  H      -3.809906      8.258663      2.913310
  H      -3.653252      6.523847      3.107620
  H      -7.911795      7.844486      5.896111
  H      -9.640698      6.172600      1.982470
  H      -8.665609      5.507577     -0.219288
  H      -6.217415      5.722788     -0.618534
  H      -4.728610      6.581075      1.153465
  H      -6.149904      2.277636      7.841451
  H      -6.358181      2.429082      6.092096
  H      -6.381429      4.724301      8.120114
  H      -6.377846      4.963939      6.368224
  H      -8.534734      3.365985      7.865690
  H      -8.662738      5.071166      7.489274
  H      -7.887334      3.266259      2.706137
  H     -12.452985      2.983660      3.121205
  H     -14.057057      3.235314      5.022309
  H     -13.217057      3.747470      7.308028
  H     -10.799702      4.016522      7.724333
  N      -5.189294      4.103510      4.088008
  H      -5.162897      4.550519      3.167029
  H      -6.185439      3.969972      4.378036
98
Coordinates from ORCA-job orca E -6204.218581881326
  N      -3.025571      1.925519      4.287170
  Mo     -3.656552      3.575491      5.134180
  N      -4.495961      3.080860      6.808574
  C      -3.649261      2.795930      7.971640
  C      -2.339780      2.162485      7.507860
  N      -1.783021      2.953070      6.380032
  C      -0.921622      2.160083      5.467239
  C      -1.789787      1.236179      4.632400
  C      -1.076161      4.181550      6.827431
  C      -1.262852      5.227331      5.731131
  N      -2.687909      5.255068      5.405550
  H      -1.244036      0.927050      3.722336
  H      -2.013662      0.306949      5.187635
  H      -0.411037      2.876672      4.809480
  H      -0.151385      1.604333      6.028310
  H      -0.920538      6.216254      6.073890
  H      -0.662615      4.978799      4.841650
  H      -1.552466      4.539362      7.750267
  H      -0.016621      3.966827      7.047848
  H      -4.160213      2.096067      8.653311
  H      -3.454390      3.716919      8.551211
  H      -2.547901      1.150631      7.134996
  H      -1.612996      2.084557      8.334269
  C      -4.010974      1.095823      3.571766
  C      -4.309102     -0.264440      4.217886
  C      -5.719892     -0.769620      3.843678
  C      -6.037075     -0.633557      2.379043
  N      -6.784932      0.409259      2.031282
  C      -7.042632      0.580661      0.706498
  N      -6.625800     -0.163783     -0.297083
  C      -5.859971     -1.247239      0.035382
  C      -5.383097     -2.097288     -0.992067
  C      -4.612820     -3.197124     -0.676372
  C      -4.292365     -3.492527      0.669919
  C      -4.743222     -2.680967      1.690617
  C      -5.532971     -1.540078      1.397737
  C      -3.413424      6.440472      5.891206
  C      -3.324160      7.645037      4.949211
  C      -4.052953      7.436498      3.623133
  C      -5.554413      7.321007      3.733492
  N      -6.126462      7.645906      4.885169
  C      -7.478447      7.518842      4.976889
  N      -8.310775      7.083842      4.055561
  C      -7.749561      6.750372      2.852261
  C      -8.582776      6.267424      1.815043
  C      -8.038427      5.916776      0.596648
  C      -6.647987      6.039253      0.367460
  C      -5.812970      6.509879      1.361283
  C      -6.342271      6.868391      2.627033
  C      -5.947273      2.930737      6.963911
  C      -6.685414      4.262378      7.157901
  C      -8.207626      4.119619      7.131829
  C      -8.822730      3.795055      5.791106
  N      -8.031785      3.653812      4.733840
  C      -8.606647      3.360017      3.534012
  N      -9.885407      3.205462      3.281053
  C     -10.730954      3.352638      4.346234
  C     -12.123935      3.206297      4.143423
  C     -12.994965      3.349661      5.203512
  C     -12.511308      3.641662      6.500401
  C     -11.157933      3.789038      6.726242
  C     -10.238282      3.649236      5.656373
  H      -3.668374      0.952885      2.529150
  H      -4.949171      1.660839      3.514552
  H      -4.275701     -0.158697      5.314717
  H      -3.548193     -1.007510      3.937859
  H      -5.828924     -1.815704      4.166090
  H      -6.465553     -0.171207      4.385766
  H      -7.670008      1.443179      0.458118
  H      -5.647665     -1.856196     -2.022311
  H      -4.249402     -3.852372     -1.469687
  H      -3.688687     -4.372040      0.898341
  H      -4.499005     -2.921847      2.725939
  H      -4.469805      6.187022      6.046238
  H      -3.011158      6.719444      6.882467
  H      -2.267112      7.876665      4.744109
  H      -3.752196      8.511421      5.473503
  H      -3.825616      8.271596      2.937764
  H      -3.659302      6.536998      3.123838
  H      -7.911000      7.808043      5.940374
  H      -9.650874      6.175628      2.014764
  H      -8.683044      5.538538     -0.198030
  H      -6.237462      5.764142     -0.605025
  H      -4.743791      6.608518      1.170937
  H      -6.146832      2.265040      7.821417
  H      -6.353978      2.428734      6.072722
  H      -6.381948      4.709980      8.116704
  H      -6.377012      4.961997      6.366966
  H      -8.532182      3.352998      7.857523
  H      -8.664199      5.059087      7.485390
  H      -7.911212      3.243135      2.697926
  H     -12.475209      2.979891      3.135950
  H     -14.068583      3.237917      5.044316
  H     -13.216250      3.751469      7.325228
  H     -10.796137      4.016294      7.729292
  N      -5.187175      4.108273      4.081570
  H      -5.155263      4.551629      3.158659
  H      -6.185367      3.977555      4.367406
98
Coordinates from ORCA-job orca E -6204.219051806851
  N      -3.004718      1.936769      4.264251
  Mo     -3.652694      3.571935      5.126532
  N      -4.495412      3.069272      6.797086
  C      -3.649887      2.786910      7.961890
  C      -2.338329      2.156531      7.499666
  N      -1.780150      2.951189      6.374418
  C      -0.911860      2.160056      5.465987
  C      -1.775095      1.241656      4.620049
  C      -1.078014      4.181148      6.826776
  C      -1.263730      5.227174      5.730584
  N      -2.688591      5.253398      5.402365
  H      -1.223543      0.934267      3.713004
  H      -2.008580      0.310804      5.168736
  H      -0.395359      2.878332      4.814595
  H      -0.147251      1.602752      6.032684
  H      -0.923018      6.216634      6.072980
  H      -0.662383      4.978879      4.841680
  H      -1.558910      4.535647      7.748507
  H      -0.019039      3.968030      7.051122
  H      -4.161137      2.087441      8.643701
  H      -3.457965      3.709421      8.539954
  H      -2.544001      1.145285      7.123619
  H      -1.612537      2.077892      8.326800
  C      -3.979404      1.110818      3.528293
  C      -4.322697     -0.230168      4.192685
  C      -5.736900     -0.708191      3.798307
  C      -6.013344     -0.599937      2.322698
  N      -6.717735      0.457050      1.929015
  C      -6.935332      0.602390      0.593850
  N      -6.518166     -0.180934     -0.379316
  C      -5.796551     -1.279237      0.000318
  C      -5.321617     -2.170141     -0.992809
  C      -4.594923     -3.285062     -0.630049
  C      -4.317933     -3.555427      0.731118
  C      -4.768241     -2.703978      1.719100
  C      -5.513588     -1.546855      1.377746
  C      -3.416852      6.433010      5.899193
  C      -3.338257      7.642994      4.962967
  C      -4.073300      7.435919      3.639983
  C      -5.573651      7.311512      3.756318
  N      -6.142546      7.627528      4.912069
  C      -7.493806      7.494453      5.007729
  N      -8.328350      7.064345      4.086000
  C      -7.770615      6.740450      2.878463
  C      -8.606286      6.264224      1.840078
  C      -8.065173      5.923222      0.617711
  C      -6.675476      6.048767      0.385210
  C      -5.838052      6.512818      1.380237
  C      -6.364190      6.862496      2.649852
  C      -5.946604      2.919052      6.952663
  C      -6.679367      4.252981      7.154688
  C      -8.202528      4.119362      7.132716
  C      -8.828346      3.799639      5.796181
  N      -8.046491      3.648377      4.733905
  C      -8.632332      3.353662      3.539289
  N      -9.914310      3.209568      3.296196
  C     -10.751255      3.371129      4.366053
  C     -12.146936      3.237599      4.173067
  C     -13.009172      3.393172      5.238263
  C     -12.513845      3.685484      6.530814
  C     -11.157591      3.820561      6.746972
  C     -10.246544      3.667834      5.671649
  H      -3.603105      0.942977      2.501506
  H      -4.903174      1.692045      3.429204
  H      -4.306444     -0.104365      5.287868
  H      -3.575097     -0.996405      3.940581
  H      -5.881289     -1.742940      4.142501
  H      -6.479347     -0.077416      4.307066
  H      -7.526456      1.478385      0.307010
  H      -5.552449     -1.947321     -2.035235
  H      -4.232679     -3.971616     -1.396984
  H      -3.748320     -4.447004      0.997191
  H      -4.557715     -2.925947      2.766002
  H      -4.471212      6.172827      6.056847
  H      -3.012045      6.707819      6.890250
  H      -2.283473      7.880572      4.753519
  H      -3.768240      8.504678      5.493355
  H      -3.853710      8.275086      2.957087
  H      -3.677317      6.540662      3.134625
  H      -7.923978      7.773847      5.975251
  H      -9.673803      6.170399      2.041874
  H      -8.711884      5.551248     -0.178345
  H      -6.267685      5.780767     -0.590679
  H      -4.769607      6.615315      1.187538
  H      -6.147372      2.248560      7.806121
  H      -6.354352      2.424010      6.058205
  H      -6.372093      4.694967      8.114965
  H      -6.366774      4.954529      6.367113
  H      -8.528318      3.353397      7.858748
  H      -8.652527      5.060697      7.490015
  H      -7.943836      3.218106      2.700062
  H     -12.507449      3.010543      3.168991
  H     -14.084882      3.290890      5.086780
  H     -13.212168      3.805282      7.359875
  H     -10.786959      4.048241      7.746732
  N      -5.191568      4.098710      4.077151
  H      -5.155594      4.539165      3.152972
  H      -6.190034      3.967147      4.359499
98
Coordinates from ORCA-job orca E -6204.218818714505
  N      -3.012367      1.956309      4.241775
  Mo     -3.662336      3.575371      5.129079
  N      -4.503992      3.069216      6.799062
  C      -3.649540      2.778845      7.956621
  C      -2.340928      2.148870      7.486651
  N      -1.787283      2.949248      6.365102
  C      -0.920939      2.164367      5.447560
  C      -1.791880      1.245683      4.607206
  C      -1.084645      4.174770      6.826711
  C      -1.270828      5.228446      5.737596
  N      -2.694482      5.256016      5.407001
  H      -1.239895      0.921438      3.702656
  H      -2.039843      0.321005      5.165002
  H      -0.413967      2.884835      4.789789
  H      -0.147415      1.613508      6.010098
  H      -0.931499      6.216203      6.086482
  H      -0.668001      4.988027      4.846712
  H      -1.566850      4.523305      7.749617
  H      -0.026895      3.957043      7.052696
  H      -4.159012      2.078585      8.635626
  H      -3.452857      3.696275      8.538137
  H      -2.548495      1.140650      7.106477
  H      -1.611553      2.066203      8.310305
  C      -3.991475      1.129290      3.507323
  C      -4.344053     -0.202708      4.171331
  C      -5.750299     -0.682835      3.766520
  C      -6.010826     -0.595552      2.286090
  N      -6.714350      0.451288      1.875367
  C      -6.921426      0.578507      0.536628
  N      -6.493219     -0.214296     -0.425861
  C      -5.771317     -1.302521     -0.028430
  C      -5.284726     -2.203320     -1.009201
  C      -4.558900     -3.308977     -0.629072
  C      -4.294052     -3.560833      0.738050
  C      -4.755432     -2.699571      1.713946
  C      -5.499998     -1.551133      1.354471
  C      -3.422752      6.434123      5.910252
  C      -3.340097      7.645910      4.979283
  C      -4.073537      7.442205      3.655339
  C      -5.572833      7.305576      3.770944
  N      -6.144331      7.620368      4.924068
  C      -7.494354      7.474108      5.022636
  N      -8.325166      7.033490      4.104535
  C      -7.764443      6.711842      2.898727
  C      -8.596151      6.229049      1.861249
  C      -8.052690      5.891719      0.639686
  C      -6.663421      6.025243      0.407966
  C      -5.830197      6.495164      1.402005
  C      -6.359427      6.844022      2.669583
  C      -5.954313      2.933503      6.969722
  C      -6.676046      4.276783      7.151230
  C      -8.198563      4.152308      7.131975
  C      -8.827251      3.815979      5.799510
  N      -8.049710      3.640264      4.735318
  C      -8.640387      3.324258      3.545270
  N      -9.923248      3.183264      3.308561
  C     -10.755007      3.370006      4.379860
  C     -12.150928      3.239227      4.193662
  C     -13.008107      3.417969      5.260851
  C     -12.507599      3.732109      6.549207
  C     -11.151295      3.865643      6.758746
  C     -10.245313      3.689268      5.681028
  H      -3.615176      0.953221      2.486812
  H      -4.906476      1.715090      3.403804
  H      -4.335142     -0.071518      5.265039
  H      -3.597353     -0.968919      3.928490
  H      -5.896507     -1.711056      4.120893
  H      -6.496960     -0.045680      4.260196
  H      -7.513366      1.446430      0.236810
  H      -5.506413     -1.995202     -2.056554
  H      -4.187988     -4.002693     -1.386700
  H      -3.725081     -4.445599      1.018228
  H      -4.554248     -2.907089      2.765530
  H      -4.476658      6.175840      6.063842
  H      -3.022808      6.703972      6.902516
  H      -2.284494      7.881595      4.770736
  H      -3.769384      8.507383      5.511826
  H      -3.859772      8.286705      2.978185
  H      -3.671112      6.552206      3.145510
  H      -7.926742      7.750892      5.988875
  H      -9.663116      6.127993      2.063107
  H      -8.696670      5.515540     -0.155795
  H      -6.253581      5.758761     -0.566923
  H      -4.762202      6.603944      1.209896
  H      -6.153344      2.279984      7.838882
  H      -6.373661      2.423046      6.086289
  H      -6.364887      4.731979      8.103867
  H      -6.360689      4.963590      6.351674
  H      -8.526323      3.397074      7.869538
  H      -8.644941      5.100802      7.477723
  H      -7.955499      3.167237      2.704702
  H     -12.515995      2.994857      3.193045
  H     -14.083871      3.317529      5.114332
  H     -13.201977      3.870038      7.379952
  H     -10.776238      4.110573      7.755051
  N      -5.206841      4.101352      4.088934
  H      -5.194003      4.489587      3.131838
  H      -6.201207      3.955346      4.384975
98
Coordinates from ORCA-job orca E -6204.218621223575
  N      -2.996228      1.978974      4.224366
  Mo     -3.654991      3.583373      5.127976
  N      -4.499345      3.069438      6.795604
  C      -3.636951      2.789284      7.952791
  C      -2.330021      2.158279      7.482652
  N      -1.778070      2.957299      6.358556
  C      -0.909390      2.169159      5.443223
  C      -1.781861      1.258469      4.594913
  C      -1.071348      4.181611      6.821901
  C      -1.264405      5.235613      5.733416
  N      -2.691273      5.265278      5.410730
  H      -1.231067      0.934301      3.689336
  H      -2.038312      0.333812      5.147196
  H      -0.398240      2.887222      4.786947
  H      -0.140251      1.617028      6.009224
  H      -0.920288      6.223067      6.076750
  H      -0.666759      4.992459      4.839441
  H      -1.548997      4.528959      7.748637
  H      -0.012852      3.962917      7.043597
  H      -4.141797      2.093994      8.639007
  H      -3.439170      3.709365      8.528423
  H      -2.540628      1.150418      7.104556
  H      -1.599933      2.075451      8.304977
  C      -3.968908      1.160106      3.467938
  C      -4.384248     -0.148456      4.149169
  C      -5.797100     -0.589717      3.719101
  C      -6.005024     -0.534925      2.224125
  N      -6.648268      0.534899      1.757832
  C      -6.806371      0.631064      0.405744
  N      -6.384448     -0.214468     -0.521077
  C      -5.723682     -1.325805     -0.066694
  C      -5.246772     -2.281539     -1.006607
  C      -4.580318     -3.410033     -0.569421
  C      -4.367543     -3.629951      0.816667
  C      -4.821290     -2.715890      1.754132
  C      -5.505574     -1.543369      1.336241
  C      -3.415202      6.440163      5.929921
  C      -3.342852      7.651137      4.994427
  C      -4.083280      7.437065      3.675095
  C      -5.578102      7.292740      3.800454
  N      -6.140031      7.595519      4.957973
  C      -7.486002      7.443422      5.065669
  N      -8.322246      7.008548      4.151709
  C      -7.771317      6.697989      2.941454
  C      -8.608990      6.223979      1.906548
  C      -8.076019      5.899800      0.679971
  C      -6.690413      6.037020      0.441645
  C      -5.851267      6.498117      1.433058
  C      -6.370497      6.835124      2.705058
  C      -5.948549      2.923503      6.973322
  C      -6.673742      4.269330      7.136470
  C      -8.196375      4.145357      7.113794
  C      -8.827227      3.801679      5.783231
  N      -8.055740      3.617414      4.714352
  C      -8.653095      3.291825      3.529328
  N      -9.937549      3.151850      3.301322
  C     -10.763362      3.348747      4.376050
  C     -12.160464      3.219548      4.199492
  C     -13.011165      3.407638      5.271853
  C     -12.502939      3.729383      6.556106
  C     -11.145386      3.861450      6.756483
  C     -10.245693      3.676294      5.673135
  H      -3.552646      0.952226      2.467950
  H      -4.862304      1.770004      3.312728
  H      -4.399028      0.005977      5.241541
  H      -3.655917     -0.944503      3.941463
  H      -5.990720     -1.602912      4.100696
  H      -6.539148      0.087917      4.173473
  H      -7.346334      1.521094      0.059214
  H      -5.427243     -2.096110     -2.069676
  H      -4.216770     -4.145709     -1.295963
  H      -3.844775     -4.532590      1.142566
  H      -4.660470     -2.899601      2.820585
  H      -4.468452      6.180123      6.096006
  H      -3.005643      6.713382      6.919271
  H      -2.290734      7.891855      4.776546
  H      -3.773037      8.511781      5.527218
  H      -3.877191      8.278541      2.990025
  H      -3.680434      6.544982      3.168839
  H      -7.910482      7.709394      6.035766
  H      -9.672389      6.118393      2.113799
  H      -8.725130      5.529895     -0.113266
  H      -6.289413      5.779922     -0.536674
  H      -4.786169      6.609445      1.236877
  H      -6.145494      2.280701      7.852917
  H      -6.368780      2.399734      6.095752
  H      -6.364910      4.733907      8.085643
  H      -6.356591      4.948539      6.330759
  H      -8.523007      3.394071      7.856299
  H      -8.644378      5.095188      7.453913
  H      -7.974292      3.124953      2.685440
  H     -12.532085      2.968693      3.202135
  H     -14.088010      3.308685      5.132418
  H     -13.192288      3.874197      7.390964
  H     -10.763813      4.112120      7.749482
  N      -5.211639      4.099534      4.106949
  H      -5.209062      4.457106      3.142186
  H      -6.185464      3.946504      4.408335
98
Coordinates from ORCA-job orca E -6204.218166987416
  N      -2.968779      2.000293      4.191864
  Mo     -3.641941      3.591171      5.105858
  N      -4.495508      3.075241      6.765980
  C      -3.639293      2.798696      7.927934
  C      -2.330768      2.163932      7.465793
  N      -1.772843      2.964222      6.346718
  C      -0.897625      2.178488      5.436708
  C      -1.763527      1.272489      4.580378
  C      -1.069454      4.186125      6.816604
  C      -1.254919      5.239235      5.727639
  N      -2.677576      5.271644      5.397788
  H      -1.204345      0.942031      3.681601
  H      -2.031765      0.349428      5.131937
  H      -0.383118      2.898617      4.785532
  H      -0.131833      1.625960      6.007871
  H      -0.906936      6.225973      6.069706
  H      -0.656337      4.992806      4.836878
  H      -1.551558      4.532358      7.739154
  H      -0.016202      3.967194      7.046092
  H      -4.149194      2.108097      8.615252
  H      -3.442664      3.720870      8.500215
  H      -2.540255      1.156939      7.085922
  H      -1.605140      2.077992      8.290941
  C      -3.920495      1.178935      3.410552
  C      -4.380670     -0.107481      4.118862
  C      -5.801755     -0.527532      3.688951
  C      -5.997412     -0.511798      2.190845
  N      -6.615315      0.564094      1.684245
  C      -6.769583      0.619314      0.329185
  N      -6.368264     -0.271892     -0.564844
  C      -5.731962     -1.389208     -0.069420
  C      -5.277990     -2.391403     -0.973302
  C      -4.634807     -3.525829     -0.494665
  C      -4.424569     -3.705246      0.898337
  C      -4.858015     -2.745611      1.801481
  C      -5.517929     -1.566103      1.341013
  C      -3.407285      6.431742      5.942905
  C      -3.347907      7.660515      5.037717
  C      -4.097294      7.471821      3.721985
  C      -5.589337      7.311941      3.857829
  N      -6.146021      7.591347      5.026946
  C      -7.488853      7.425220      5.145602
  N      -8.327355      6.996589      4.232665
  C      -7.782384      6.709529      3.010031
  C      -8.622025      6.245741      1.973320
  C      -8.093223      5.945736      0.734146
  C      -6.710033      6.096455      0.485978
  C      -5.869844      6.549398      1.478974
  C      -6.384682      6.862642      2.762235
  C      -5.945401      2.935465      6.937789
  C      -6.671276      4.277910      7.111645
  C      -8.193149      4.146685      7.087305
  C      -8.819764      3.799351      5.756851
  N      -8.045433      3.610857      4.690366
  C      -8.638628      3.271710      3.505822
  N      -9.922513      3.126415      3.276988
  C     -10.751771      3.329620      4.348699
  C     -12.148245      3.194668      4.170084
  C     -13.001739      3.384586      5.240671
  C     -12.497035      3.714322      6.524644
  C     -11.140191      3.853623      6.726869
  C     -10.237760      3.667577      5.645364
  H      -3.459037      0.935805      2.432468
  H      -4.803138      1.803697      3.200824
  H      -4.400970      0.073635      5.206350
  H      -3.670844     -0.929368      3.939008
  H      -6.024225     -1.528731      4.098433
  H      -6.531197      0.181648      4.117425
  H      -7.289658      1.515170     -0.051491
  H      -5.456308     -2.235581     -2.042124
  H      -4.287989     -4.297623     -1.193234
  H      -3.919769     -4.612758      1.257254
  H      -4.699119     -2.898697      2.873192
  H      -4.456227      6.163706      6.108106
  H      -2.995996      6.684502      6.934035
  H      -2.298743      7.908035      4.819997
  H      -3.779748      8.507431      5.589683
  H      -3.906541      8.328039      3.054753
  H      -3.692663      6.594643      3.194394
  H      -7.907351      7.672879      6.125895
  H      -9.682724      6.128068      2.188071
  H      -8.743475      5.583116     -0.061030
  H      -6.313488      5.856827     -0.501796
  H      -4.807056      6.673037      1.276454
  H      -6.146657      2.286383      7.809659
  H      -6.362046      2.421664      6.055906
  H      -6.366770      4.735395      8.063704
  H      -6.354949      4.965227      6.313884
  H      -8.516224      3.392213      7.827472
  H      -8.647672      5.092736      7.428005
  H      -7.957307      3.094263      2.664620
  H     -12.517775      2.936814      3.173374
  H     -14.077933      3.280860      5.099259
  H     -13.188579      3.859598      7.357921
  H     -10.760868      4.110748      7.719443
  N      -5.204342      4.100909      4.086714
  H      -5.193850      4.440035      3.098372
  H      -6.192733      3.923938      4.387433
98
Coordinates from ORCA-job orca E -6204.218619956302
  N      -2.938327      2.025710      4.175124
  Mo     -3.628891      3.604375      5.097062
  N      -4.489249      3.078074      6.752327
  C      -3.632312      2.811763      7.917008
  C      -2.321093      2.181506      7.458644
  N      -1.764281      2.982710      6.338438
  C      -0.879671      2.195078      5.439623
  C      -1.739927      1.292074      4.576163
  C      -1.062243      4.205915      6.811418
  C      -1.251908      5.257947      5.722928
  N      -2.675771      5.289245      5.397634
  H      -1.175907      0.961223      3.679727
  H      -2.016681      0.367459      5.122332
  H      -0.359225      2.914314      4.791237
  H      -0.119946      1.644326      6.020364
  H      -0.901169      6.245424      6.059472
  H      -0.656896      5.008845      4.830487
  H      -1.543874      4.549952      7.734363
  H      -0.010522      3.987699      7.041480
  H      -4.137840      2.121867      8.608386
  H      -3.442100      3.736476      8.485979
  H      -2.528189      1.174315      7.079423
  H      -1.595503      2.096689      8.283082
  C      -3.871905      1.209227      3.365630
  C      -4.394694     -0.048318      4.091872
  C      -5.824145     -0.425662      3.651856
  C      -5.986909     -0.447304      2.148875
  N      -6.529475      0.644858      1.597967
  C      -6.650992      0.668789      0.237647
  N      -6.287700     -0.269402     -0.623004
  C      -5.729519     -1.403771     -0.082402
  C      -5.321250     -2.454329     -0.949078
  C      -4.755289     -3.606293     -0.424831
  C      -4.579214     -3.754375      0.978181
  C      -4.969916     -2.747568      1.846214
  C      -5.551451     -1.549527      1.339274
  C      -3.405484      6.440507      5.961898
  C      -3.352549      7.674685      5.064969
  C      -4.099287      7.484239      3.748254
  C      -5.589917      7.314941      3.884153
  N      -6.147424      7.591338      5.053620
  C      -7.489704      7.421008      5.173083
  N      -8.328220      6.992427      4.260366
  C      -7.782116      6.707023      3.037470
  C      -8.620467      6.243305      2.001130
  C      -8.089497      5.941838      0.762918
  C      -6.704592      6.090655      0.515966
  C      -5.865896      6.546339      1.507579
  C      -6.383455      6.861989      2.789990
  C      -5.937194      2.923738      6.923505
  C      -6.674576      4.257437      7.115534
  C      -8.195972      4.113348      7.082271
  C      -8.814369      3.769405      5.748759
  N      -8.035666      3.584912      4.684756
  C      -8.623345      3.239676      3.500845
  N      -9.906060      3.086033      3.269568
  C     -10.740162      3.286671      4.337140
  C     -12.135485      3.141419      4.156087
  C     -12.993550      3.326041      5.223965
  C     -12.494536      3.660063      6.507463
  C     -11.138744      3.809118      6.712267
  C     -10.231549      3.629147      5.633744
  H      -3.365434      0.930654      2.414540
  H      -4.730076      1.852984      3.094359
  H      -4.424220      0.158470      5.174499
  H      -3.713436     -0.901227      3.940799
  H      -6.095817     -1.405612      4.088156
  H      -6.531496      0.326528      4.045984
  H      -7.106485      1.579703     -0.180086
  H      -5.471633     -2.320899     -2.026593
  H      -4.443787     -4.415381     -1.094751
  H      -4.134990     -4.675803      1.373288
  H      -4.838703     -2.877575      2.925981
  H      -4.452573      6.169106      6.130176
  H      -2.990852      6.686954      6.952411
  H      -2.305286      7.929085      4.849068
  H      -3.791444      8.516374      5.619408
  H      -3.914392      8.342546      3.082544
  H      -3.689279      6.610105      3.219231
  H      -7.908682      7.665935      6.153863
  H      -9.681999      6.125916      2.214786
  H      -8.738758      5.577694     -0.031615
  H      -6.306254      5.845725     -0.469294
  H      -4.801779      6.668974      1.306463
  H      -6.137957      2.262343      7.784795
  H      -6.348572      2.421561      6.034464
  H      -6.378152      4.702086      8.074808
  H      -6.359759      4.960441      6.331354
  H      -8.513770      3.350398      7.814678
  H      -8.662371      5.051301      7.427642
  H      -7.939289      3.059287      2.662941
  H     -12.501086      2.879487      3.160117
  H     -14.069199      3.214296      5.080547
  H     -13.189610      3.800498      7.338299
  H     -10.763485      4.069045      7.704381
  N      -5.183822      4.106844      4.081331
  H      -5.162598      4.447744      3.094399
  H      -6.172621      3.917566      4.370291
98
Coordinates from ORCA-job orca E -6204.219320709084
  N      -2.885846      2.042067      4.165556
  Mo     -3.592980      3.608909      5.098177
  N      -4.465100      3.082339      6.747041
  C      -3.615908      2.827591      7.920074
  C      -2.303758      2.196079      7.471836
  N      -1.741036      2.995492      6.353548
  C      -0.847500      2.204681      5.464858
  C      -1.697273      1.304978      4.588882
  C      -1.046131      4.222695      6.825140
  C      -1.227223      5.265529      5.726247
  N      -2.647695      5.296910      5.394662
  H      -1.123397      0.973182      3.701680
  H      -1.984767      0.383153      5.130172
  H      -0.318393      2.922334      4.822946
  H      -0.097367      1.652379      6.055217
  H      -0.871535      6.254768      6.051086
  H      -0.631242      5.003022      4.840375
  H      -1.535539      4.570414      7.740426
  H       0.001672      4.009639      7.065914
  H      -4.124924      2.143754      8.614966
  H      -3.429908      3.757431      8.482762
  H      -2.508331      1.187721      7.093017
  H      -1.583924      2.112875      8.300256
  C      -3.801547      1.228245      3.328201
  C      -4.393094      0.005123      4.069836
  C      -5.831139     -0.316913      3.621143
  C      -5.975630     -0.366526      2.120047
  N      -6.443331      0.738326      1.532730
  C      -6.547831      0.732792      0.171916
  N      -6.236317     -0.246414     -0.655737
  C      -5.754095     -1.394338     -0.076410
  C      -5.402053     -2.488643     -0.906258
  C      -4.909434     -3.654981     -0.343348
  C      -4.753757     -3.773499      1.063157
  C      -5.091384     -2.723970      1.895834
  C      -5.597306     -1.510755      1.348775
  C      -3.386362      6.437922      5.969490
  C      -3.359823      7.675916      5.072957
  C      -4.123193      7.480639      3.764774
  C      -5.610860      7.294801      3.919129
  N      -6.155817      7.552970      5.100359
  C      -7.494830      7.369439      5.237617
  N      -8.342396      6.945005      4.331445
  C      -7.810768      6.679520      3.095794
  C      -8.661401      6.227657      2.062843
  C      -8.146179      5.951609      0.809597
  C      -6.764571      6.113161      0.543975
  C      -5.914182      6.555664      1.532973
  C      -6.415936      6.847339      2.830204
  C      -5.913825      2.923956      6.912229
  C      -6.662457      4.253097      7.089908
  C      -8.183080      4.095466      7.042717
  C      -8.792612      3.734274      5.707604
  N      -8.007787      3.539557      4.651617
  C      -8.586786      3.175259      3.468103
  N      -9.867084      3.017479      3.229063
  C     -10.708197      3.230299      4.287033
  C     -12.101199      3.081871      4.096229
  C     -12.965523      3.275485      5.154876
  C     -12.475290      3.621375      6.438736
  C     -11.121930      3.774731      6.653003
  C     -10.208407      3.587143      5.583610
  H      -3.248392      0.906156      2.411536
  H      -4.627864      1.886496      2.993927
  H      -4.430187      0.233501      5.145039
  H      -3.749535     -0.879877      3.945292
  H      -6.156975     -1.272707      4.074944
  H      -6.504770      0.473986      3.988106
  H      -6.939463      1.656813     -0.278528
  H      -5.534375     -2.376167     -1.986846
  H      -4.640769     -4.497849     -0.984768
  H      -4.366702     -4.706132      1.489373
  H      -4.976095     -2.831896      2.978359
  H      -4.427547      6.152178      6.148894
  H      -2.965315      6.686361      6.956790
  H      -2.318356      7.943800      4.843454
  H      -3.801689      8.511925      5.634765
  H      -3.956119      8.341890      3.097561
  H      -3.714169      6.608886      3.229572
  H      -7.901637      7.599788      6.228340
  H      -9.719980      6.100454      2.289754
  H      -8.804936      5.597763      0.017172
  H      -6.380128      5.889996     -0.454815
  H      -4.852715      6.688755      1.318614
  H      -6.113336      2.268096      7.777002
  H      -6.318639      2.414284      6.025781
  H      -6.378950      4.704732      8.051001
  H      -6.346053      4.955640      6.305848
  H      -8.497734      3.334546      7.778605
  H      -8.660257      5.030909      7.377660
  H      -7.896774      2.982302      2.638568
  H     -12.460307      2.809796      3.100521
  H     -14.039198      3.161263      5.003475
  H     -13.175119      3.767873      7.262134
  H     -10.753390      4.044132      7.645237
  N      -5.166905      4.110441      4.080586
  H      -5.154635      4.420122      3.092672
  H      -6.148935      3.913485      4.365233
98
Coordinates from ORCA-job orca E -6204.219028901489
  N      -2.855870      2.052012      4.159745
  Mo     -3.582611      3.610686      5.094227
  N      -4.454742      3.075462      6.740193
  C      -3.609214      2.831035      7.918660
  C      -2.294167      2.205245      7.472696
  N      -1.734057      3.002754      6.350436
  C      -0.830214      2.205399      5.479871
  C      -1.673642      1.308842      4.595332
  C      -1.043249      4.237370      6.817338
  C      -1.225211      5.274854      5.713680
  N      -2.647763      5.306322      5.387972
  H      -1.089557      0.982388      3.713459
  H      -1.971785      0.380565      5.124234
  H      -0.288570      2.919362      4.843739
  H      -0.091668      1.652997      6.084904
  H      -0.863176      6.266607      6.025638
  H      -0.636294      4.999987      4.827194
  H      -1.535193      4.586914      7.727838
  H       0.003111      4.026299      7.062211
  H      -4.114143      2.147381      8.615638
  H      -3.432760      3.764130      8.476907
  H      -2.495387      1.195864      7.094918
  H      -1.571442      2.125558      8.297878
  C      -3.749833      1.247423      3.292411
  C      -4.408439      0.067918      4.039447
  C      -5.847044     -0.196542      3.582993
  C      -5.965586     -0.275184      2.090869
  N      -6.353389      0.844151      1.483271
  C      -6.420220      0.817486      0.129058
  N      -6.143257     -0.199795     -0.674116
  C      -5.742010     -1.365364     -0.072332
  C      -5.423981     -2.502460     -0.874205
  C      -5.006958     -3.688160     -0.288262
  C      -4.896704     -3.783038      1.113839
  C      -5.203220     -2.691704      1.919421
  C      -5.631647     -1.459018      1.348569
  C      -3.388321      6.441734      5.976632
  C      -3.373723      7.684437      5.082829
  C      -4.135443      7.478641      3.772856
  C      -5.623228      7.274207      3.927837
  N      -6.171634      7.533358      5.107233
  C      -7.510354      7.339729      5.243433
  N      -8.355805      6.907383      4.337868
  C      -7.822432      6.642520      3.104278
  C      -8.672266      6.185749      2.073050
  C      -8.154985      5.907386      0.824192
  C      -6.771758      6.072132      0.559332
  C      -5.922311      6.522138      1.544802
  C      -6.426507      6.816571      2.839568
  C      -5.903305      2.908596      6.901607
  C      -6.658871      4.230815      7.104103
  C      -8.179482      4.061828      7.053592
  C      -8.782834      3.698447      5.716755
  N      -7.989467      3.491786      4.668502
  C      -8.562482      3.120505      3.486125
  N      -9.843471      2.966264      3.240241
  C     -10.693198      3.193100      4.289080
  C     -12.087190      3.049582      4.089954
  C     -12.960270      3.256963      5.139209
  C     -12.477954      3.610802      6.422103
  C     -11.123551      3.758474      6.644613
  C     -10.200866      3.557524      5.584748
  H      -3.159920      0.884396      2.410559
  H      -4.536598      1.922356      2.899947
  H      -4.443022      0.316645      5.105802
  H      -3.811018     -0.846756      3.930585
  H      -6.224978     -1.123482      4.045661
  H      -6.480180      0.635080      3.923060
  H      -6.744978      1.756434     -0.338882
  H      -5.518446     -2.406791     -1.951558
  H      -4.762750     -4.564318     -0.907792
  H      -4.568306     -4.730832      1.558476
  H      -5.122106     -2.782664      2.999165
  H      -4.426997      6.150146      6.161006
  H      -2.962746      6.684313      6.962780
  H      -2.333653      7.964122      4.853807
  H      -3.825090      8.517377      5.644736
  H      -3.979763      8.342984      3.106149
  H      -3.717989      6.611860      3.235290
  H      -7.919494      7.569942      6.232478
  H      -9.732593      6.057681      2.298060
  H      -8.812954      5.549362      0.033844
  H      -6.385171      5.844401     -0.435349
  H      -4.859540      6.659529      1.330264
  H      -6.103290      2.234148      7.749248
  H      -6.302247      2.419265      6.004250
  H      -6.378365      4.670762      8.072811
  H      -6.344219      4.948794      6.331037
  H      -8.490238      3.294722      7.786205
  H      -8.664567      4.993529      7.389982
  H      -7.866278      2.910404      2.665166
  H     -12.440120      2.770545      3.095256
  H     -14.035043      3.146880      4.981302
  H     -13.184619      3.768136      7.237727
  H     -10.761475      4.034197      7.636021
  N      -5.148216      4.100829      4.067512
  H      -5.113780      4.420996      3.102309
  H      -6.141117      3.910351      4.334338
98
Coordinates from ORCA-job orca E -6204.219781648516
  N      -2.824858      2.061428      4.166170
  Mo     -3.563014      3.610988      5.107852
  N      -4.433326      3.054409      6.749138
  C      -3.592725      2.820828      7.933109
  C      -2.271693      2.209181      7.490953
  N      -1.716090      3.011682      6.368524
  C      -0.806371      2.214846      5.504456
  C      -1.643393      1.322565      4.608407
  C      -1.032573      4.251509      6.835542
  C      -1.218412      5.286525      5.726246
  N      -2.643840      5.313558      5.399243
  H      -1.056081      1.007616      3.728385
  H      -1.942566      0.391162      5.128003
  H      -0.258361      2.931553      4.874852
  H      -0.073289      1.654229      6.112162
  H      -0.859028      6.280706      6.033117
  H      -0.627054      5.007681      4.841542
  H      -1.529643      4.599538      7.745985
  H       0.015496      4.049561      7.082198
  H      -4.091647      2.129955      8.630974
  H      -3.428063      3.757875      8.491911
  H      -2.466392      1.197972      7.111198
  H      -1.550854      2.132757      8.319369
  C      -3.706472      1.265356      3.285819
  C      -4.402931      0.108310      4.031301
  C      -5.845331     -0.119016      3.561242
  C      -5.949397     -0.214728      2.068189
  N      -6.270774      0.911807      1.434782
  C      -6.308070      0.869060      0.079469
  N      -6.064131     -0.170326     -0.702091
  C      -5.735786     -1.342752     -0.074355
  C      -5.457343     -2.502328     -0.852145
  C      -5.114698     -3.694440     -0.240084
  C      -5.040945     -3.771314      1.164730
  C      -5.307605     -2.657920      1.948449
  C      -5.660920     -1.418980      1.351029
  C      -3.387193      6.448799      5.977169
  C      -3.390043      7.681742      5.064184
  C      -4.160667      7.452452      3.758521
  C      -5.646134      7.246214      3.921568
  N      -6.185141      7.500493      5.102567
  C      -7.519186      7.304549      5.243540
  N      -8.370627      6.874832      4.342271
  C      -7.849575      6.614755      3.107125
  C      -8.706813      6.160409      2.081808
  C      -8.202298      5.891353      0.830682
  C      -6.826093      6.064578      0.557597
  C      -5.968014      6.510418      1.538291
  C      -6.458359      6.794596      2.836226
  C      -5.880161      2.869751      6.900347
  C      -6.641989      4.187342      7.106083
  C      -8.163570      4.021479      7.046338
  C      -8.763026      3.668300      5.707527
  N      -7.965837      3.466690      4.663472
  C      -8.533534      3.106898      3.479749
  N      -9.815789      2.960476      3.228219
  C     -10.671987      3.186147      4.271273
  C     -12.068342      3.052426      4.065410
  C     -12.947314      3.255101      5.109810
  C     -12.468379      3.594519      6.393470
  C     -11.111540      3.732787      6.622602
  C     -10.182698      3.536229      5.568497
  H      -3.099346      0.882912      2.425300
  H      -4.462729      1.943697      2.868453
  H      -4.443810      0.369183      5.094818
  H      -3.829412     -0.822980      3.937668
  H      -6.261398     -1.024623      4.032319
  H      -6.453211      0.735701      3.879893
  H      -6.571934      1.815500     -0.410811
  H      -5.522121     -2.419221     -1.932596
  H      -4.902280     -4.588177     -0.841324
  H      -4.771951     -4.723480      1.629945
  H      -5.254576     -2.735766      3.031231
  H      -4.423353      6.147872      6.171780
  H      -2.955314      6.710041      6.958261
  H      -2.355594      7.969621      4.823323
  H      -3.844688      8.516204      5.619440
  H      -4.012250      8.307689      3.074884
  H      -3.742885      6.577520      3.231464
  H      -7.920802      7.530196      6.233264
  H      -9.762333      6.027424      2.312141
  H      -8.866122      5.535993      0.044549
  H      -6.449429      5.846704     -0.439348
  H      -4.909644      6.654458      1.316823
  H      -6.082496      2.190224      7.742124
  H      -6.270359      2.385323      5.997907
  H      -6.366539      4.620023      8.078525
  H      -6.321827      4.909035      6.340682
  H      -8.480019      3.253105      7.771766
  H      -8.646823      4.950676      7.384699
  H      -7.834272      2.894233      2.664367
  H     -12.417932      2.783715      3.069976
  H     -14.024315      3.151129      4.947407
  H     -13.180107      3.747746      7.205562
  H     -10.752783      3.996439      7.614749
  N      -5.139390      4.083864      4.079476
  H      -5.084439      4.420834      3.114663
  H      -6.144499      3.932766      4.358071
98
Coordinates from ORCA-job orca E -6204.219354118059
  N      -2.809307      2.061869      4.170772
  Mo     -3.545549      3.611768      5.118825
  N      -4.414186      3.044720      6.759508
  C      -3.571138      2.808963      7.945308
  C      -2.247257      2.198238      7.500971
  N      -1.690295      3.003987      6.376296
  C      -0.782814      2.203962      5.508269
  C      -1.628977      1.316699      4.606587
  C      -1.003215      4.244428      6.846387
  C      -1.193851      5.288193      5.740181
  N      -2.623465      5.314827      5.412376
  H      -1.046920      1.005075      3.724222
  H      -1.933051      0.384155      5.122433
  H      -0.230643      2.920921      4.878988
  H      -0.051093      1.637499      6.115934
  H      -0.839918      6.282495      6.055284
  H      -0.599842      5.019908      4.851935
  H      -1.498675      4.589903      7.762140
  H       0.051117      4.039600      7.088132
  H      -4.069292      2.113848      8.644499
  H      -3.407152      3.747660      8.505263
  H      -2.442057      1.186060      7.119707
  H      -1.527733      2.121712      8.332985
  C      -3.698680      1.281562      3.288139
  C      -4.420066      0.143017      4.027716
  C      -5.854353     -0.065016      3.531898
  C      -5.934111     -0.191152      2.034280
  N      -6.215351      0.926411      1.369959
  C      -6.227822      0.854585      0.010703
  N      -5.995318     -0.205406     -0.748107
  C      -5.707979     -1.368927     -0.087962
  C      -5.444732     -2.550789     -0.839494
  C      -5.144807     -3.734177     -0.194823
  C      -5.098977     -3.782598      1.218677
  C      -5.351194     -2.647351      1.976805
  C      -5.662360     -1.415238      1.343996
  C      -3.363385      6.457999      5.979590
  C      -3.374315      7.680507      5.046833
  C      -4.173425      7.439880      3.750173
  C      -5.669348      7.254648      3.939648
  N      -6.185661      7.525665      5.137988
  C      -7.530544      7.346361      5.304592
  N      -8.411455      6.920863      4.413634
  C      -7.913350      6.645641      3.161798
  C      -8.800929      6.189391      2.148279
  C      -8.320055      5.901783      0.881740
  C      -6.938868      6.059948      0.579860
  C      -6.051336      6.507737      1.547857
  C      -6.515676      6.808066      2.861637
  C      -5.860767      2.842611      6.907806
  C      -6.632477      4.158557      7.105438
  C      -8.156000      3.998035      7.030826
  C      -8.748234      3.649945      5.686028
  N      -7.942294      3.447875      4.649585
  C      -8.500441      3.096594      3.459121
  N      -9.781508      2.957092      3.194402
  C     -10.646871      3.184780      4.229337
  C     -12.043329      3.060567      4.007883
  C     -12.933870      3.266492      5.041663
  C     -12.467014      3.600294      6.331347
  C     -11.110292      3.728726      6.575660
  C     -10.169402      3.527914      5.532050
  H      -3.093490      0.889556      2.437534
  H      -4.436465      1.974021      2.870291
  H      -4.477629      0.415524      5.092067
  H      -3.854664     -0.797117      3.950735
  H      -6.294570     -0.949415      4.014420
  H      -6.450578      0.809794      3.820272
  H      -6.458264      1.794530     -0.504079
  H      -5.487533     -2.491025     -1.927084
  H      -4.944683     -4.643619     -0.776783
  H      -4.863514     -4.728547      1.710504
  H      -5.320345     -2.701712      3.066700
  H      -4.401232      6.158431      6.187278
  H      -2.921558      6.736957      6.954969
  H      -2.336352      7.962466      4.783694
  H      -3.818840      8.524042      5.606218
  H      -4.022221      8.287601      3.055092
  H      -3.767845      6.554707      3.220411
  H      -7.915777      7.583688      6.307262
  H      -9.861016      6.069224      2.401990
  H      -9.007152      5.544781      0.105197
  H      -6.579167      5.826705     -0.427612
  H      -4.989117      6.638741      1.302874
  H      -6.060511      2.160881      7.751897
  H      -6.245342      2.353188      6.001364
  H      -6.364213      4.593060      8.081878
  H      -6.303810      4.879935      6.340373
  H      -8.485017      3.229485      7.755300
  H      -8.637042      4.931829      7.363835
  H      -7.794984      2.881550      2.650924
  H     -12.383113      2.796620      3.007879
  H     -14.010798      3.169361      4.867455
  H     -13.188084      3.756955      7.135273
  H     -10.761448      3.988413      7.572208
  N      -5.115443      4.079120      4.091474
  H      -5.050976      4.430758      3.129530
  H      -6.118773      3.959893      4.376560
98
Coordinates from ORCA-job orca E -6204.219657664366
  N      -2.805116      2.064718      4.170012
  Mo     -3.552148      3.605590      5.122053
  N      -4.419400      3.046356      6.769676
  C      -3.577190      2.808830      7.956574
  C      -2.250368      2.200104      7.509389
  N      -1.691681      3.005540      6.382862
  C      -0.778790      2.207866      5.519103
  C      -1.617908      1.321412      4.607902
  C      -1.013715      4.253259      6.852841
  C      -1.200994      5.293695      5.740429
  N      -2.632127      5.314333      5.404722
  H      -1.024364      1.017506      3.725707
  H      -1.918838      0.381935      5.118677
  H      -0.217513      2.924526      4.900718
  H      -0.054024      1.640154      6.131242
  H      -0.852703      6.290150      6.056184
  H      -0.603058      5.026734      4.853370
  H      -1.522959      4.599068      7.763580
  H       0.042933      4.053541      7.108965
  H      -4.075903      2.108331      8.651496
  H      -3.413597      3.744314      8.523721
  H      -2.445201      1.187700      7.127563
  H      -1.526670      2.123245      8.339499
  C      -3.698513      1.283845      3.297122
  C      -4.392404      0.132518      4.023401
  C      -5.834169     -0.082742      3.558079
  C      -5.955084     -0.189028      2.066519
  N      -6.277561      0.931317      1.420150
  C      -6.339623      0.880033      0.061461
  N      -6.124803     -0.159208     -0.710604
  C      -5.795853     -1.325757     -0.068132
  C      -5.554388     -2.483331     -0.836806
  C      -5.213273     -3.667766     -0.210760
  C      -5.102038     -3.743969      1.201310
  C      -5.335002     -2.631611      1.974670
  C      -5.691079     -1.396596      1.359755
  C      -3.381634      6.452298      5.971297
  C      -3.380254      7.684517      5.052995
  C      -4.155445      7.464036      3.743401
  C      -5.651736      7.271777      3.905455
  N      -6.191949      7.552763      5.090265
  C      -7.539211      7.374223      5.231371
  N      -8.399055      6.939636      4.327367
  C      -7.874194      6.652664      3.090205
  C      -8.736802      6.181064      2.065013
  C      -8.228872      5.875396      0.816152
  C      -6.845686      6.033388      0.542427
  C      -5.982733      6.498515      1.519910
  C      -6.473913      6.813829      2.816517
  C      -5.867955      2.845383      6.923685
  C      -6.645346      4.157880      7.131626
  C      -8.165892      3.985741      7.062466
  C      -8.751991      3.632045      5.715273
  N      -7.940241      3.447355      4.682398
  C      -8.488406      3.098694      3.485526
  N      -9.762179      2.940508      3.213175
  C     -10.632700      3.146966      4.246433
  C     -12.022232      3.005080      4.014749
  C     -12.919601      3.196499      5.043513
  C     -12.466366      3.533410      6.338879
  C     -11.116311      3.678166      6.592983
  C     -10.168927      3.492311      5.554069
  H      -3.116240      0.915722      2.439015
  H      -4.449308      1.970991      2.908700
  H      -4.420930      0.381251      5.089981
  H      -3.826706     -0.796059      3.913794
  H      -6.257919     -0.974174      4.035420
  H      -6.427325      0.779678      3.871117
  H      -6.601513      1.820449     -0.440685
  H      -5.648496     -2.402707     -1.922980
  H      -5.031024     -4.557756     -0.805950
  H      -4.832851     -4.691533      1.678353
  H      -5.256364     -2.706257      3.062253
  H      -4.422507      6.151937      6.157482
  H      -2.956273      6.721128      6.956568
  H      -2.341060      7.971195      4.813383
  H      -3.834948      8.518142      5.614129
  H      -3.998886      8.325357      3.068457
  H      -3.733758      6.595054      3.206688
  H      -7.944706      7.619604      6.223809
  H      -9.799611      6.062106      2.297329
  H      -8.895858      5.505224      0.031365
  H      -6.466158      5.785425     -0.450950
  H      -4.920074      6.631251      1.296104
  H      -6.062828      2.153962      7.763887
  H      -6.255058      2.360109      6.012886
  H      -6.378574      4.593380      8.111784
  H      -6.324251      4.884393      6.365507
  H      -8.487524      3.211660      7.787567
  H      -8.654277      4.916942      7.399207
  H      -7.778520      2.911936      2.676538
  H     -12.351880      2.740921      3.010159
  H     -13.990789      3.087043      4.861023
  H     -13.192498      3.680064      7.138662
  H     -10.778655      3.941224      7.594365
  N      -5.095536      4.075061      4.085338
  H      -5.028891      4.456110      3.150105
  H      -6.106910      3.960178      4.351451
98
Coordinates from ORCA-job orca E -6204.220313044106
  N      -2.817388      2.053479      4.171392
  Mo     -3.564448      3.599496      5.119778
  N      -4.428866      3.046377      6.769014
  C      -3.593394      2.804485      7.953072
  C      -2.265976      2.194605      7.506131
  N      -1.704508      3.000259      6.383637
  C      -0.796879      2.208245      5.507131
  C      -1.629648      1.320868      4.596394
  C      -1.032676      4.247134      6.852690
  C      -1.214423      5.284148      5.745859
  N      -2.639335      5.300496      5.404086
  H      -1.041593      1.020599      3.714245
  H      -1.917006      0.386781      5.108681
  H      -0.238366      2.927090      4.895375
  H      -0.074653      1.636576      6.110747
  H      -0.876316      6.279180      6.073776
  H      -0.609960      5.025499      4.862222
  H      -1.547134      4.593843      7.762172
  H       0.026096      4.049495      7.109472
  H      -4.100003      2.105190      8.643745
  H      -3.429204      3.741908      8.518795
  H      -2.455742      1.181535      7.123073
  H      -1.546449      2.120705      8.339087
  C      -3.731766      1.266455      3.320555
  C      -4.388804      0.080458      4.048783
  C      -5.848894     -0.173340      3.586601
  C      -5.980896     -0.238616      2.087703
  N      -6.344561      0.882266      1.467365
  C      -6.396850      0.856307      0.111564
  N      -6.130688     -0.157523     -0.682010
  C      -5.766352     -1.320449     -0.069737
  C      -5.478070     -2.448697     -0.865028
  C      -5.112326     -3.626522     -0.271468
  C      -5.015435     -3.728963      1.134520
  C      -5.289218     -2.646897      1.934124
  C      -5.673564     -1.418032      1.351638
  C      -3.392484      6.445150      5.950190
  C      -3.384654      7.678286      5.037442
  C      -4.134231      7.470280      3.728570
  C      -5.629641      7.299517      3.872201
  N      -6.181391      7.592356      5.048236
  C      -7.529482      7.429728      5.174165
  N      -8.376595      6.998593      4.262885
  C      -7.836678      6.694912      3.035009
  C      -8.680943      6.210187      2.006685
  C      -8.156662      5.885475      0.767560
  C      -6.777416      6.039194      0.506251
  C      -5.931054      6.513009      1.489855
  C      -6.437415      6.844165      2.776036
  C      -5.876391      2.848072      6.919238
  C      -6.651792      4.159452      7.134473
  C      -8.174089      3.991983      7.087305
  C      -8.781295      3.638937      5.749728
  N      -7.986199      3.463129      4.707681
  C      -8.549601      3.119831      3.514647
  N      -9.823453      2.955541      3.256070
  C     -10.677364      3.154602      4.301379
  C     -12.066962      3.011890      4.084233
  C     -12.950030      3.204250      5.123207
  C     -12.481581      3.543096      6.414064
  C     -11.130757      3.686577      6.653643
  C     -10.198207      3.498399      5.604521
  H      -3.169667      0.922191      2.448213
  H      -4.510100      1.948043      2.957350
  H      -4.415191      0.306624      5.126722
  H      -3.783208     -0.831052      3.925904
  H      -6.232657     -1.098195      4.055587
  H      -6.489542      0.662592      3.921546
  H      -6.689390      1.791053     -0.363573
  H      -5.563159     -2.349191     -1.945921
  H      -4.897456     -4.492755     -0.887474
  H      -4.728477     -4.671104      1.585260
  H      -5.222741     -2.740627      3.016832
  H      -4.434783      6.142116      6.129055
  H      -2.970205      6.712995      6.937646
  H      -2.348451      7.963846      4.814652
  H      -3.842778      8.505980      5.587473
  H      -3.956177      8.331506      3.061667
  H      -3.719660      6.599123      3.202048
  H      -7.945736      7.684470      6.160024
  H      -9.742238      6.097218      2.229411
  H      -8.809199      5.506861     -0.021487
  H      -6.384696      5.777692     -0.480168
  H      -4.870290      6.637545      1.277298
  H      -6.062944      2.156693      7.759497
  H      -6.263738      2.359825      6.011205
  H      -6.373801      4.596397      8.110014
  H      -6.336729      4.882498      6.364830
  H      -8.492110      3.221459      7.817927
  H      -8.651798      4.927321      7.428508
  H      -7.851567      2.940661      2.698215
  H     -12.408205      2.748104      3.082428
  H     -14.021031      3.095350      4.952777
  H     -13.197213      3.693089      7.221844
  H     -10.781628      3.952465      7.651905
  N      -5.116686      4.073781      4.070013
  H      -5.071513      4.486599      3.138402
  H      -6.117043      3.947544      4.325373
98
Coordinates from ORCA-job orca E -6204.220611667068
  N      -2.829573      2.051680      4.165825
  Mo     -3.560449      3.607385      5.116552
  N      -4.427302      3.055090      6.763123
  C      -3.591934      2.807266      7.943086
  C      -2.267959      2.194209      7.497128
  N      -1.706176      2.997433      6.377782
  C      -0.809054      2.202241      5.493878
  C      -1.652480      1.308442      4.600171
  C      -1.025587      4.237596      6.846158
  C      -1.209860      5.284605      5.750338
  N      -2.632167      5.304941      5.416445
  H      -1.064677      0.985445      3.722828
  H      -1.953636      0.384199      5.128328
  H      -0.260787      2.919045      4.869136
  H      -0.078337      1.636147      6.092808
  H      -0.870585      6.276326      6.088567
  H      -0.610020      5.034752      4.860686
  H      -1.529023      4.582849      7.761620
  H       0.033432      4.029937      7.091597
  H      -4.101386      2.110933      8.630552
  H      -3.423992      3.743679      8.506967
  H      -2.456265      1.181900      7.114640
  H      -1.548991      2.122312      8.330073
  C      -3.743228      1.269242      3.305210
  C      -4.422507      0.099740      4.040300
  C      -5.871137     -0.142781      3.556459
  C      -5.980702     -0.231126      2.049996
  N      -6.314910      0.877096      1.404093
  C      -6.346468      0.828178      0.041603
  N      -6.082825     -0.198333     -0.736238
  C      -5.744693     -1.351212     -0.096270
  C      -5.450801     -2.498817     -0.870720
  C      -5.097777     -3.673249     -0.245472
  C      -5.025697     -3.750965      1.170596
  C      -5.310239     -2.647373      1.948447
  C      -5.675302     -1.424448      1.334124
  C      -3.385612      6.448524      5.962108
  C      -3.391649      7.681457      5.050001
  C      -4.150096      7.476238      3.744335
  C      -5.644846      7.303447      3.893635
  N      -6.191827      7.588638      5.068491
  C      -7.537503      7.419024      5.199172
  N      -8.385268      6.986114      4.293223
  C      -7.850371      6.691490      3.066151
  C      -8.697136      6.206694      2.042704
  C      -8.178943      5.893658      0.802268
  C      -6.802902      6.056543      0.534932
  C      -5.954380      6.528031      1.515538
  C      -6.455479      6.849601      2.802091
  C      -5.872859      2.859683      6.916751
  C      -6.646551      4.168014      7.139716
  C      -8.166935      4.001394      7.089858
  C      -8.768648      3.646746      5.752383
  N      -7.969522      3.466741      4.714166
  C      -8.527935      3.118874      3.520964
  N      -9.799689      2.953994      3.258961
  C     -10.656218      3.156958      4.300676
  C     -12.043390      3.010919      4.079913
  C     -12.928978      3.205339      5.114406
  C     -12.465893      3.550735      6.404378
  C     -11.118053      3.697813      6.647320
  C     -10.183165      3.505847      5.603043
  H      -3.164979      0.906104      2.441080
  H      -4.506934      1.954503      2.920526
  H      -4.467206      0.338820      5.119070
  H      -3.821059     -0.818464      3.937001
  H      -6.267044     -1.053076      4.033593
  H      -6.506838      0.703971      3.871753
  H      -6.620608      1.754618     -0.454327
  H      -5.514917     -2.419097     -1.959868
  H      -4.872359     -4.556765     -0.844276
  H      -4.746956     -4.691414      1.646601
  H      -5.260158     -2.721469      3.039904
  H      -4.423406      6.141717      6.150982
  H      -2.955248      6.715752      6.944273
  H      -2.356608      7.968708      4.820147
  H      -3.848153      8.508598      5.605250
  H      -3.976710      8.337297      3.077822
  H      -3.738429      6.604298      3.214776
  H      -7.948848      7.668606      6.183678
  H      -9.755822      6.086500      2.269883
  H      -8.833637      5.517098      0.016012
  H      -6.414084      5.806017     -0.454227
  H      -4.895327      6.657559      1.299130
  H      -6.053244      2.169625      7.757912
  H      -6.262494      2.370709      6.011791
  H      -6.371483      4.596940      8.117408
  H      -6.330295      4.897373      6.377480
  H      -8.487711      3.233380      7.819010
  H      -8.644268      4.936160      7.429000
  H      -7.825947      2.936869      2.707458
  H     -12.380086      2.741981      3.078896
  H     -13.997886      3.092718      4.941447
  H     -13.183371      3.702739      7.208793
  H     -10.772970      3.968738      7.644878
  N      -5.106386      4.104354      4.044412
  H      -5.079741      4.489535      3.100077
  H      -6.115315      3.981882      4.296521
98
Coordinates from ORCA-job orca E -6204.221272863619
  N      -2.808682      2.062282      4.168373
  Mo     -3.552604      3.606472      5.115931
  N      -4.417922      3.056356      6.760522
  C      -3.589411      2.820658      7.945415
  C      -2.262971      2.209951      7.508069
  N      -1.701052      3.009585      6.388539
  C      -0.799592      2.215108      5.513763
  C      -1.630382      1.326072      4.613904
  C      -1.029422      4.253796      6.849810
  C      -1.208242      5.284785      5.742385
  N      -2.628945      5.304996      5.405903
  H      -1.036240      1.007571      3.739101
  H      -1.927594      0.402139      5.140512
  H      -0.242317      2.929363      4.899425
  H      -0.078801      1.642341      6.114652
  H      -0.864432      6.278972      6.065220
  H      -0.608057      5.017594      4.859879
  H      -1.541417      4.604883      7.756497
  H       0.025302      4.058205      7.104520
  H      -4.098934      2.126185      8.635568
  H      -3.427240      3.760708      8.506307
  H      -2.449684      1.196451      7.128520
  H      -1.547818      2.139373      8.342748
  C      -3.702077      1.269517      3.298607
  C      -4.410766      0.113664      4.033504
  C      -5.859703     -0.085395      3.549234
  C      -5.965088     -0.176769      2.047146
  N      -6.264167      0.936377      1.401418
  C      -6.301922      0.885052      0.040966
  N      -6.077168     -0.146600     -0.734972
  C      -5.769660     -1.305826     -0.094594
  C      -5.506516     -2.462266     -0.864726
  C      -5.168089     -3.648133     -0.235509
  C      -5.090391     -3.722402      1.177926
  C      -5.352506     -2.608257      1.951312
  C      -5.693480     -1.377911      1.335863
  C      -3.380788      6.444917      5.959125
  C      -3.390632      7.674698      5.047962
  C      -4.160159      7.458042      3.749129
  C      -5.649157      7.275917      3.915052
  N      -6.184465      7.554306      5.095192
  C      -7.522197      7.368210      5.243064
  N      -8.374027      6.922885      4.350593
  C      -7.852444      6.635480      3.118241
  C      -8.706040      6.143200      2.108271
  C      -8.199787      5.835885      0.863047
  C      -6.827917      6.009400      0.579693
  C      -5.973614      6.490767      1.547043
  C      -6.464164      6.810076      2.837179
  C      -5.867081      2.870364      6.901104
  C      -6.637019      4.185281      7.090386
  C      -8.158557      4.021684      7.039834
  C      -8.755699      3.635779      5.708216
  N      -7.951382      3.416223      4.672469
  C      -8.509382      3.031701      3.488077
  N      -9.787557      2.868852      3.232744
  C     -10.649946      3.115296      4.269855
  C     -12.043829      2.976039      4.055541
  C     -12.933096      3.211664      5.088111
  C     -12.467007      3.591667      6.368334
  C     -11.112931      3.733240      6.605087
  C     -10.174371      3.500911      5.563281
  H      -3.106383      0.888907      2.449909
  H      -4.458314      1.952804      2.888188
  H      -4.454680      0.354607      5.109635
  H      -3.836186     -0.817359      3.931751
  H      -6.286211     -0.973967      4.025456
  H      -6.463803      0.776241      3.862819
  H      -6.552602      1.819974     -0.457896
  H      -5.573465     -2.383495     -1.952216
  H      -4.959397     -4.541927     -0.829451
  H      -4.822312     -4.671269      1.656982
  H      -5.295260     -2.681595      3.040929
  H      -4.418385      6.139658      6.152489
  H      -2.946672      6.712111      6.939136
  H      -2.356479      7.960314      4.809147
  H      -3.842818      8.505806      5.604866
  H      -3.999229      8.314439      3.073227
  H      -3.749543      6.583637      3.221447
  H      -7.922982      7.613106      6.231009
  H      -9.759437      6.010901      2.348521
  H      -8.859293      5.450819      0.087615
  H      -6.448095      5.760727     -0.411900
  H      -4.918313      6.630045      1.318740
  H      -6.061414      2.198672      7.751702
  H      -6.248923      2.368821      6.004209
  H      -6.364907      4.633747      8.056890
  H      -6.316990      4.894878      6.314852
  H      -8.483723      3.271954      7.785055
  H      -8.635368      4.964837      7.356453
  H      -7.803113      2.815821      2.677887
  H     -12.382507      2.678647      3.062147
  H     -14.007401      3.104592      4.919806
  H     -13.186918      3.774236      7.171419
  H     -10.765296      4.030032      7.594971
  N      -5.118382      4.071192      4.066482
  H      -5.087536      4.434028      3.102018
  H      -6.109890      3.906440      4.328805
98
Coordinates from ORCA-job orca E -6204.221510664095
  N      -2.802614      2.078446      4.167920
  Mo     -3.544979      3.619425      5.121752
  N      -4.409069      3.068114      6.766581
  C      -3.577030      2.840330      7.951495
  C      -2.251520      2.230587      7.516270
  N      -1.694708      3.022287      6.391647
  C      -0.797661      2.221495      5.519018
  C      -1.637185      1.329376      4.632129
  C      -1.015438      4.264223      6.844613
  C      -1.196079      5.291203      5.734497
  N      -2.617996      5.318105      5.408647
  H      -1.040149      0.986529      3.763956
  H      -1.953439      0.414138      5.171322
  H      -0.242690      2.930062      4.892793
  H      -0.071857      1.651213      6.120672
  H      -0.842200      6.285376      6.047857
  H      -0.604042      5.012774      4.849710
  H      -1.519204      4.621976      7.750886
  H       0.036576      4.065104      7.093644
  H      -4.081024      2.149317      8.645942
  H      -3.416084      3.781903      8.507749
  H      -2.438762      1.215814      7.143955
  H      -1.534059      2.165313      8.348870
  C      -3.679648      1.284774      3.282464
  C      -4.439439      0.163859      4.023526
  C      -5.879634      0.000882      3.519774
  C      -5.963015     -0.122796      2.021779
  N      -6.232297      0.995961      1.347346
  C      -6.258193      0.921799     -0.013677
  N      -6.046240     -0.140713     -0.763853
  C      -5.770810     -1.306400     -0.093576
  C      -5.538491     -2.488015     -0.837887
  C      -5.262494     -3.668447     -0.184218
  C      -5.211705     -3.712592      1.229403
  C      -5.433887     -2.577582      1.980323
  C      -5.716599     -1.350812      1.339427
  C      -3.363537      6.458796      5.967664
  C      -3.379819      7.683056      5.050659
  C      -4.167779      7.451692      3.760731
  C      -5.652512      7.255446      3.948404
  N      -6.173287      7.523914      5.135268
  C      -7.505250      7.323706      5.301813
  N      -8.366237      6.871300      4.422147
  C      -7.861870      6.597086      3.182686
  C      -8.730791      6.110423      2.182490
  C      -8.242893      5.819808      0.928103
  C      -6.873239      6.000780      0.627257
  C      -6.004875      6.478014      1.585134
  C      -6.478451      6.784694      2.883490
  C      -5.856970      2.882264      6.911014
  C      -6.631261      4.196954      7.074251
  C      -8.149596      4.024930      7.007986
  C      -8.728485      3.622911      5.673180
  N      -7.913863      3.396583      4.649138
  C      -8.456668      2.994118      3.464153
  N      -9.729712      2.821884      3.195957
  C     -10.602146      3.073172      4.219512
  C     -11.990133      2.919849      3.991789
  C     -12.887259      3.151950      5.013564
  C     -12.435003      3.543258      6.294950
  C     -11.087413      3.701406      6.544142
  C     -10.141186      3.473349      5.514066
  H      -3.057406      0.865331      2.461501
  H      -4.405365      1.972572      2.828098
  H      -4.494129      0.428045      5.092718
  H      -3.897714     -0.787299      3.947409
  H      -6.341525     -0.862225      4.003213
  H      -6.454281      0.886237      3.807729
  H      -6.491747      1.868988     -0.540518
  H      -5.589137     -2.428898     -1.927552
  H      -5.087955     -4.578064     -0.759966
  H      -5.000093     -4.654090      1.725991
  H      -5.401178     -2.627011      3.069570
  H      -4.398911      6.158005      6.173580
  H      -2.920124      6.729815      6.940831
  H      -2.344892      7.966026      4.795149
  H      -3.824519      8.522892      5.610270
  H      -4.023824      8.303803      3.075222
  H      -3.758625      6.574292      3.232405
  H      -7.892419      7.562172      6.294236
  H      -9.780869      5.969321      2.436637
  H      -8.914381      5.438434      0.160640
  H      -6.508282      5.766307     -0.372054
  H      -4.952176      6.625492      1.342733
  H      -6.051217      2.227287      7.774647
  H      -6.238033      2.362735      6.023919
  H      -6.370081      4.657037      8.036872
  H      -6.309013      4.897464      6.292768
  H      -8.475235      3.281865      7.755881
  H      -8.635214      4.966170      7.309306
  H      -7.740767      2.775736      2.664070
  H     -12.317616      2.612299      2.997992
  H     -13.956889      3.032274      4.835451
  H     -13.160201      3.720436      7.089520
  H     -10.750244      4.005944      7.534893
  N      -5.109516      4.075145      4.075196
  H      -5.077733      4.389907      3.093678
  H      -6.098258      3.890952      4.347120
98
Coordinates from ORCA-job orca E -6204.220939128361
  N      -2.804643      2.099720      4.156408
  Mo     -3.552886      3.627116      5.137381
  N      -4.402368      3.053684      6.787606
  C      -3.556640      2.833424      7.971153
  C      -2.227229      2.233707      7.527287
  N      -1.686288      3.025447      6.391693
  C      -0.793187      2.226689      5.507014
  C      -1.646417      1.341526      4.618081
  C      -0.999656      4.267212      6.842906
  C      -1.191263      5.296266      5.731926
  N      -2.621328      5.327205      5.416881
  H      -1.056598      0.992655      3.749485
  H      -1.973437      0.425563      5.152046
  H      -0.240975      2.939163      4.873715
  H      -0.056043      1.647598      6.099797
  H      -0.833532      6.291082      6.041771
  H      -0.605673      5.014905      4.842883
  H      -1.494589      4.626523      7.753590
  H       0.053543      4.068415      7.082656
  H      -4.044235      2.137259      8.671903
  H      -3.399316      3.775144      8.528057
  H      -2.413902      1.216158      7.162014
  H      -1.502614      2.174946      8.356089
  C      -3.680503      1.309476      3.273177
  C      -4.459084      0.200679      4.019733
  C      -5.914870      0.037165      3.517353
  C      -6.001935     -0.096005      2.023122
  N      -6.250825      1.022551      1.343021
  C      -6.255675      0.933885     -0.010079
  N      -6.044528     -0.140746     -0.747020
  C      -5.801409     -1.301090     -0.073550
  C      -5.570905     -2.492809     -0.802595
  C      -5.301247     -3.677654     -0.137903
  C      -5.249710     -3.717236      1.273449
  C      -5.472718     -2.571605      2.010143
  C      -5.758318     -1.335877      1.356224
  C      -3.356038      6.476990      5.971295
  C      -3.370665      7.690756      5.036703
  C      -4.169140      7.448718      3.753800
  C      -5.647791      7.243090      3.957754
  N      -6.156189      7.503674      5.155917
  C      -7.484964      7.301461      5.335579
  N      -8.356187      6.851883      4.459195
  C      -7.865050      6.586232      3.207691
  C      -8.747012      6.109233      2.207567
  C      -8.275582      5.832185      0.939778
  C      -6.910742      6.019425      0.626079
  C      -6.028275      6.488922      1.582505
  C      -6.484187      6.779341      2.895001
  C      -5.847626      2.854870      6.940938
  C      -6.629648      4.171646      7.077343
  C      -8.145180      3.996718      6.993576
  C      -8.713768      3.607812      5.649492
  N      -7.896399      3.402373      4.630538
  C      -8.430260      3.021885      3.436433
  N      -9.699961      2.852179      3.153254
  C     -10.576441      3.080294      4.170686
  C     -11.960020      2.928138      3.927620
  C     -12.859508      3.130688      4.945981
  C     -12.413324      3.490969      6.237949
  C     -11.070117      3.650785      6.501416
  C     -10.121772      3.454187      5.475476
  H      -3.056109      0.874111      2.466670
  H      -4.388035      1.997235      2.807555
  H      -4.505848      0.474886      5.084728
  H      -3.930073     -0.760497      3.955498
  H      -6.385108     -0.833169      4.013062
  H      -6.489823      0.930442      3.795461
  H      -6.425321      1.859865     -0.530733
  H      -5.611435     -2.441082     -1.888054
  H      -5.125321     -4.595888     -0.701653
  H      -5.030393     -4.667405      1.782271
  H      -5.438469     -2.618463      3.097782
  H      -4.393722      6.185021      6.190239
  H      -2.903550      6.766040      6.938490
  H      -2.337637      7.971840      4.767130
  H      -3.808156      8.535012      5.594135
  H      -4.036728      8.299706      3.061245
  H      -3.758451      6.573767      3.224147
  H      -7.863183      7.534127      6.336785
  H      -9.793628      5.963828      2.472034
  H      -8.958399      5.457828      0.173239
  H      -6.561309      5.799759     -0.383217
  H      -4.980084      6.644003      1.327834
  H      -6.040912      2.211268      7.818602
  H      -6.229309      2.314942      6.058142
  H      -6.375686      4.642640      8.038843
  H      -6.303886      4.862459      6.287524
  H      -8.472191      3.249493      7.734037
  H      -8.633642      4.933367      7.294270
  H      -7.710176      2.824257      2.640195
  H     -12.282081      2.644128      2.925552
  H     -13.925535      3.010531      4.756820
  H     -13.139606      3.642558      7.029859
  H     -10.737810      3.930969      7.500378
  N      -5.106347      4.059281      4.101845
  H      -5.055038      4.374559      3.127524
  H      -6.103618      3.881753      4.386243
98
Coordinates from ORCA-job orca E -6204.221746126117
  N      -2.785145      2.089144      4.161093
  Mo     -3.539663      3.617284      5.136730
  N      -4.392114      3.045300      6.787434
  C      -3.554070      2.824899      7.971994
  C      -2.222866      2.228804      7.528460
  N      -1.677076      3.023664      6.396359
  C      -0.776548      2.228948      5.520579
  C      -1.616400      1.344367      4.618649
  C      -1.001335      4.272210      6.847926
  C      -1.195044      5.300738      5.734491
  N      -2.624758      5.322370      5.416195
  H      -1.019690      1.017886      3.749513
  H      -1.928277      0.419869      5.140865
  H      -0.215068      2.944315      4.902918
  H      -0.051704      1.648529      6.119429
  H      -0.846058      6.296899      6.048642
  H      -0.605625      5.027344      4.844344
  H      -1.503728      4.627472      7.758148
  H       0.055417      4.079299      7.094583
  H      -4.045586      2.125803      8.668342
  H      -3.398793      3.764750      8.532232
  H      -2.406531      1.211517      7.158457
  H      -1.497551      2.169921      8.357113
  C      -3.658485      1.297968      3.276882
  C      -4.418697      0.166841      4.009643
  C      -5.881421     -0.006725      3.519382
  C      -5.980857     -0.125742      2.024963
  N      -6.242068      0.997613      1.353584
  C      -6.258935      0.918880     -0.002547
  N      -6.049204     -0.148942     -0.749376
  C      -5.794847     -1.314618     -0.084321
  C      -5.568441     -2.500163     -0.825162
  C      -5.298266     -3.685252     -0.171396
  C      -5.236345     -3.734922      1.240977
  C      -5.452319     -2.596648      1.988929
  C      -5.741215     -1.359470      1.345173
  C      -3.372055      6.461197      5.974577
  C      -3.394587      7.682070      5.049237
  C      -4.184005      7.456073      3.756835
  C      -5.667587      7.253139      3.949867
  N      -6.184986      7.532107      5.141390
  C      -7.521896      7.342925      5.312273
  N      -8.391922      6.889619      4.433039
  C      -7.890608      6.603622      3.188968
  C      -8.769548      6.112895      2.190134
  C      -8.289651      5.811412      0.932382
  C      -6.920193      5.990285      0.625248
  C      -6.040342      6.474379      1.578494
  C      -6.502848      6.784412      2.883288
  C      -5.840911      2.846195      6.934617
  C      -6.622658      4.163522      7.099155
  C      -8.143120      3.995149      7.016660
  C      -8.713748      3.608583      5.669425
  N      -7.888468      3.386790      4.651247
  C      -8.424019      3.007669      3.454786
  N      -9.700052      2.851789      3.169150
  C     -10.583395      3.097443      4.186470
  C     -11.974010      2.964827      3.939679
  C     -12.882273      3.197822      4.954124
  C     -12.437984      3.567659      6.246954
  C     -11.087451      3.704404      6.514682
  C     -10.130145      3.476580      5.492175
  H      -3.040547      0.884805      2.461850
  H      -4.382041      1.978500      2.825390
  H      -4.456595      0.418919      5.077577
  H      -3.877243     -0.786640      3.922139
  H      -6.335954     -0.891842      4.013492
  H      -6.467006      0.881451      3.812333
  H      -6.447510      1.851853     -0.519715
  H      -5.617555     -2.441008     -1.911217
  H      -5.128365     -4.597320     -0.744366
  H      -5.017684     -4.684873      1.740061
  H      -5.411603     -2.649875      3.076949
  H      -4.406652      6.158997      6.184289
  H      -2.927784      6.741717      6.946659
  H      -2.364406      7.974492      4.793819
  H      -3.843381      8.512289      5.611155
  H      -4.048604      8.315849      3.077636
  H      -3.768087      6.593154      3.216611
  H      -7.906998      7.593442      6.308342
  H      -9.821893      5.978012      2.448447
  H      -8.969450      5.426272      0.167376
  H      -6.564499      5.750154     -0.375853
  H      -4.988393      6.621300      1.327994
  H      -6.035732      2.181490      7.798838
  H      -6.220635      2.325616      6.039473
  H      -6.367150      4.620201      8.070721
  H      -6.295538      4.872039      6.320161
  H      -8.478613      3.244878      7.758754
  H      -8.627913      4.938912      7.320529
  H      -7.698145      2.807659      2.656409
  H     -12.294560      2.675172      2.936651
  H     -13.953852      3.095848      4.761393
  H     -13.171341      3.746671      7.035298
  H     -10.757135      3.993681      7.514224
  N      -5.088299      4.061768      4.082374
  H      -5.058815      4.436401      3.134804
  H      -6.095715      3.887058      4.344783
98
Coordinates from ORCA-job orca E -6204.218871112175
  N      -2.748980      2.039523      4.214097
  Mo     -3.509214      3.568730      5.130388
  N      -4.393815      3.044016      6.763270
  C      -3.570416      2.869908      7.961464
  C      -2.233927      2.260097      7.576078
  N      -1.662914      3.014454      6.432013
  C      -0.755722      2.198391      5.584831
  C      -1.584785      1.295829      4.683534
  C      -0.996626      4.274992      6.855778
  C      -1.174876      5.284926      5.734491
  N      -2.594065      5.281344      5.399116
  H      -0.979585      0.957902      3.820377
  H      -1.902512      0.380864      5.219152
  H      -0.187840      2.900986      4.960417
  H      -0.044635      1.645470      6.211128
  H      -0.842552      6.286509      6.045863
  H      -0.571603      5.013975      4.857775
  H      -1.518053      4.642563      7.744523
  H       0.059769      4.080823      7.120719
  H      -4.082605      2.201146      8.663673
  H      -3.430610      3.826544      8.474842
  H      -2.404813      1.231713      7.240568
  H      -1.530683      2.237447      8.419615
  C      -3.649139      1.265715      3.325081
  C      -4.445621      0.189498      4.037555
  C      -5.875020      0.047404      3.506018
  C      -5.947264     -0.080811      2.008437
  N      -6.194185      1.030165      1.330224
  C      -6.223829      0.952412     -0.025655
  N      -6.033609     -0.110622     -0.766230
  C      -5.782542     -1.269277     -0.090523
  C      -5.573621     -2.460284     -0.821885
  C      -5.320152     -3.641601     -0.164876
  C      -5.262093     -3.687757      1.245120
  C      -5.462989     -2.542673      1.980752
  C      -5.726149     -1.310899      1.332512
  C      -3.355049      6.433605      5.939273
  C      -3.401503      7.662535      5.022295
  C      -4.206360      7.450534      3.737547
  C      -5.693624      7.240617      3.952914
  N      -6.183651      7.509431      5.153441
  C      -7.526942      7.315744      5.350273
  N      -8.416976      6.871385      4.486649
  C      -7.941880      6.595389      3.234099
  C      -8.839372      6.109659      2.250233
  C      -8.385282      5.821315      0.984757
  C      -7.021929      6.006746      0.651169
  C      -6.125811      6.480809      1.588750
  C      -6.560295      6.778465      2.900235
  C      -5.836037      2.834035      6.913271
  C      -6.611182      4.148411      7.044279
  C      -8.124013      3.992200      6.974078
  C      -8.691703      3.590793      5.637710
  N      -7.874108      3.351691      4.622094
  C      -8.414302      2.969520      3.429772
  N      -9.687164      2.820391      3.154637
  C     -10.556309      3.083415      4.173062
  C     -11.942711      2.958199      3.936920
  C     -12.843381      3.210608      4.947589
  C     -12.397298      3.595242      6.229136
  C     -11.050848      3.725379      6.486803
  C     -10.101340      3.473544      5.466778
  H      -3.034004      0.812787      2.534593
  H      -4.328992      1.994271      2.831988
  H      -4.506967      0.444383      5.106285
  H      -3.921641     -0.770766      3.963190
  H      -6.342254     -0.810625      3.993084
  H      -6.450782      0.939068      3.776731
  H      -6.439716      1.892070     -0.550463
  H      -5.626041     -2.405190     -1.906301
  H      -5.163288     -4.557077     -0.730760
  H      -5.063424     -4.634057      1.748227
  H      -5.426264     -2.590928      3.066337
  H      -4.387056      6.114596      6.163187
  H      -2.900168      6.716673      6.913016
  H      -2.376349      7.959760      4.756903
  H      -3.845086      8.483829      5.596289
  H      -4.079321      8.319838      3.065672
  H      -3.795899      6.592579      3.181367
  H      -7.893877      7.549600      6.356357
  H      -9.885486      5.969071      2.530716
  H      -9.077864      5.442500      0.231468
  H      -6.681508      5.774802     -0.356535
  H      -5.078798      6.629267      1.319827
  H      -6.015049      2.196397      7.792558
  H      -6.211147      2.286685      6.034474
  H      -6.346817      4.631502      7.998627
  H      -6.277352      4.822037      6.242355
  H      -8.467743      3.261953      7.733865
  H      -8.601405      4.942295      7.256393
  H      -7.714228      2.737836      2.638506
  H     -12.267548      2.658163      2.942402
  H     -13.913985      3.112675      4.762327
  H     -13.127211      3.790981      7.014905
  H     -10.719772      4.025339      7.476620
  N      -5.024250      3.957551      3.972105
  H      -4.987047      4.319954      3.002486
  H      -5.998786      3.760861      4.264655
98
Coordinates from ORCA-job orca E -6204.221951708969
  N      -2.790104      2.054714      4.187481
  Mo     -3.536960      3.601475      5.128098
  N      -4.395220      3.052290      6.773970
  C      -3.569489      2.838681      7.965318
  C      -2.235444      2.230547      7.544006
  N      -1.675290      3.010428      6.408687
  C      -0.780841      2.203505      5.540082
  C      -1.619388      1.315544      4.638948
  C      -1.000043      4.262742      6.846157
  C      -1.184844      5.287107      5.733675
  N      -2.609438      5.302106      5.407166
  H      -1.022588      0.990409      3.770584
  H      -1.927625      0.393255      5.165354
  H      -0.209284      2.910933      4.925293
  H      -0.066864      1.622831      6.146323
  H      -0.844774      6.283857      6.055825
  H      -0.589566      5.020428      4.847481
  H      -1.507635      4.624636      7.750210
  H       0.058608      4.068151      7.095000
  H      -4.076434      2.146945      8.660286
  H      -3.416801      3.787583      8.512552
  H      -2.413913      1.207283      7.183916
  H      -1.520679      2.182426      8.383122
  C      -3.676543      1.269256      3.310370
  C      -4.438168      0.152423      4.040044
  C      -5.881705      0.002531      3.539193
  C      -5.975153     -0.109771      2.041058
  N      -6.248028      1.004078      1.374007
  C      -6.282745      0.930986      0.014634
  N      -6.074978     -0.123435     -0.738635
  C      -5.797078     -1.284894     -0.075005
  C      -5.560439     -2.466621     -0.819639
  C      -5.273843     -3.647905     -0.169318
  C      -5.217468     -3.696596      1.242549
  C      -5.448530     -2.559124      1.991095
  C      -5.737365     -1.331974      1.352450
  C      -3.360627      6.448977      5.949202
  C      -3.385334      7.675585      5.032099
  C      -4.175903      7.470127      3.742719
  C      -5.667148      7.292625      3.930483
  N      -6.185454      7.574245      5.121606
  C      -7.526024      7.391453      5.288887
  N      -8.392861      6.944148      4.406114
  C      -7.887015      6.655266      3.163550
  C      -8.754974      6.154969      2.165614
  C      -8.265161      5.840156      0.912414
  C      -6.898497      6.020386      0.606535
  C      -6.030506      6.511402      1.559536
  C      -6.501017      6.830947      2.859484
  C      -5.841755      2.843014      6.907813
  C      -6.629275      4.150760      7.068389
  C      -8.145309      3.976947      7.010164
  C      -8.726097      3.590224      5.672885
  N      -7.912426      3.390051      4.647690
  C      -8.454145      3.016660      3.452900
  N      -9.723687      2.838377      3.180905
  C     -10.594317      3.065292      4.208729
  C     -11.981051      2.917370      3.974338
  C     -12.881523      3.140062      4.993850
  C     -12.433327      3.513328      6.281569
  C     -11.086040      3.661768      6.537670
  C     -10.137520      3.444683      5.508704
  H      -3.064653      0.848823      2.494918
  H      -4.397113      1.966841      2.855168
  H      -4.482793      0.395733      5.113802
  H      -3.903116     -0.800327      3.945448
  H      -6.339839     -0.864155      4.023755
  H      -6.453748      0.888062      3.835416
  H      -6.526813      1.874847     -0.506817
  H      -5.614711     -2.407115     -1.906872
  H      -5.091333     -4.558761     -0.744407
  H      -4.996781     -4.640004      1.737629
  H      -5.409460     -2.610186      3.079287
  H      -4.396125      6.142164      6.158028
  H      -2.914690      6.726416      6.922757
  H      -2.353591      7.962608      4.778503
  H      -3.827851      8.503621      5.600386
  H      -4.020564      8.333921      3.074227
  H      -3.771034      6.602726      3.196378
  H      -7.915407      7.639433      6.284788
  H      -9.804396      6.018879      2.424236
  H      -8.934121      5.444876      0.148619
  H      -6.530369      5.766895     -0.390568
  H      -4.978881      6.653902      1.311367
  H      -6.027396      2.181312      7.769789
  H      -6.209820      2.317364      6.014797
  H      -6.364797      4.621198      8.028649
  H      -6.311278      4.844674      6.277163
  H      -8.474422      3.230375      7.755199
  H      -8.625998      4.919723      7.316913
  H      -7.742348      2.817380      2.651161
  H     -12.305170      2.626968      2.974868
  H     -13.950993      3.028067      4.810205
  H     -13.161951      3.686269      7.074580
  H     -10.753615      3.953776      7.532990
  N      -5.068763      4.026894      4.026330
  H      -5.017854      4.439718      3.089541
  H      -6.058026      3.841196      4.287045
98
Coordinates from ORCA-job orca E -6204.222628568808
  N      -2.774791      2.079853      4.177695
  Mo     -3.528380      3.614029      5.136513
  N      -4.384737      3.056407      6.783684
  C      -3.558282      2.847653      7.974993
  C      -2.223856      2.246083      7.550112
  N      -1.668838      3.026122      6.414651
  C      -0.773744      2.218859      5.546293
  C      -1.611749      1.330524      4.650714
  C      -0.992527      4.277405      6.849710
  C      -1.181532      5.297010      5.732452
  N      -2.607355      5.315203      5.411871
  H      -1.005651      0.987237      3.788732
  H      -1.934307      0.414963      5.188598
  H      -0.203587      2.923081      4.928278
  H      -0.058830      1.638916      6.151290
  H      -0.836342      6.294109      6.046472
  H      -0.589968      5.021745      4.845864
  H      -1.495519      4.642569      7.755303
  H       0.065409      4.084799      7.095639
  H      -4.060753      2.157657      8.673068
  H      -3.406480      3.796769      8.521617
  H      -2.399698      1.223059      7.192047
  H      -1.507743      2.201406      8.386297
  C      -3.644707      1.289171      3.288149
  C      -4.445750      0.190089      4.021685
  C      -5.893877      0.063431      3.505522
  C      -5.969293     -0.065850      2.010366
  N      -6.199674      1.056088      1.327903
  C      -6.210477      0.968911     -0.029285
  N      -6.019782     -0.106078     -0.768040
  C      -5.792321     -1.273061     -0.090374
  C      -5.593184     -2.465607     -0.822739
  C      -5.358367     -3.650041     -0.157963
  C      -5.310686     -3.691436      1.256820
  C      -5.503366     -2.544822      1.995406
  C      -5.751459     -1.309724      1.340422
  C      -3.357034      6.459641      5.955373
  C      -3.384204      7.677277      5.026182
  C      -4.182849      7.444432      3.744406
  C      -5.667723      7.251484      3.949813
  N      -6.174581      7.531774      5.143146
  C      -7.508317      7.336138      5.326519
  N      -8.382375      6.876877      4.458040
  C      -7.891673      6.590700      3.212979
  C      -8.774379      6.088919      2.228350
  C      -8.301312      5.780071      0.971287
  C      -6.935908      5.963108      0.650060
  C      -6.053660      6.456944      1.590795
  C      -6.509255      6.775618      2.893951
  C      -5.834411      2.857508      6.917004
  C      -6.621550      4.168565      7.068117
  C      -8.139566      3.990951      6.993355
  C      -8.709077      3.587929      5.653025
  N      -7.884339      3.364865      4.636594
  C      -8.416705      2.968030      3.444103
  N      -9.688459      2.792016      3.164493
  C     -10.571155      3.043042      4.180220
  C     -11.958424      2.894870      3.936811
  C     -12.867576      3.135813      4.947121
  C     -12.427796      3.529419      6.232763
  C     -11.080618      3.680499      6.497288
  C     -10.122574      3.443869      5.478810
  H      -3.012001      0.842158      2.499125
  H      -4.342942      1.983162      2.800332
  H      -4.498676      0.448892      5.091647
  H      -3.928614     -0.778147      3.947039
  H      -6.379363     -0.791528      3.995937
  H      -6.453327      0.968678      3.783627
  H      -6.387942      1.906333     -0.555929
  H      -5.636264     -2.411321     -1.912233
  H      -5.210166     -4.567075     -0.724332
  H      -5.126281     -4.638801      1.763404
  H      -5.475443     -2.589505      3.084952
  H      -4.389536      6.153346      6.171360
  H      -2.908553      6.744795      6.923684
  H      -2.352689      7.962877      4.760753
  H      -3.823278      8.516969      5.586969
  H      -4.041972      8.299053      3.058640
  H      -3.779150      6.570461      3.208235
  H      -7.884886      7.584446      6.323912
  H      -9.822844      5.950229      2.498247
  H      -8.982750      5.385120      0.217032
  H      -6.582683      5.714990     -0.350313
  H      -5.004519      6.604410      1.330402
  H      -6.026236      2.201497      7.783025
  H      -6.202775      2.329163      6.027400
  H      -6.368090      4.638946      8.031664
  H      -6.297009      4.865960      6.281139
  H      -8.472816      3.248925      7.741518
  H      -8.626679      4.934648      7.288868
  H      -7.691050      2.754573      2.649367
  H     -12.275307      2.587598      2.939267
  H     -13.936501      3.022030      4.757123
  H     -13.162334      3.715463      7.017896
  H     -10.754340      3.987731      7.491222
  N      -5.079058      4.039516      4.066979
  H      -5.053852      4.426013      3.116143
  H      -6.075820      3.861276      4.326993
98
Coordinates from ORCA-job orca E -6204.222604499414
  N      -2.770248      2.096991      4.160204
  Mo     -3.534854      3.617030      5.139202
  N      -4.387988      3.043486      6.787093
  C      -3.556250      2.832003      7.975797
  C      -2.219104      2.242001      7.544595
  N      -1.673317      3.030157      6.410559
  C      -0.774685      2.235118      5.534317
  C      -1.609304      1.351559      4.630670
  C      -1.000651      4.280756      6.853028
  C      -1.193090      5.303275      5.737145
  N      -2.619955      5.320444      5.417932
  H      -1.007079      1.018233      3.769794
  H      -1.926675      0.434023      5.156931
  H      -0.209275      2.948435      4.919342
  H      -0.053430      1.651420      6.133030
  H      -0.849027      6.300211      6.053440
  H      -0.601235      5.031226      4.849650
  H      -1.504486      4.640908      7.759411
  H       0.055121      4.091531      7.100410
  H      -4.049343      2.134169      8.670532
  H      -3.408777      3.775484      8.530998
  H      -2.390157      1.219954      7.183816
  H      -1.499630      2.197888      8.378143
  C      -3.637327      1.300468      3.274328
  C      -4.429558      0.189154      4.004390
  C      -5.888585      0.051691      3.501054
  C      -5.982586     -0.081332      2.004566
  N      -6.218146      1.033397      1.315463
  C      -6.240612      0.938324     -0.043356
  N      -6.054184     -0.137721     -0.775796
  C      -5.819023     -1.298539     -0.090942
  C      -5.603342     -2.500514     -0.812261
  C      -5.355058     -3.680821     -0.138145
  C      -5.315697     -3.704697      1.273309
  C      -5.521786     -2.550112      2.002264
  C      -5.773604     -1.323326      1.340512
  C      -3.368660      6.462298      5.967161
  C      -3.382657      7.682350      5.044188
  C      -4.175119      7.459381      3.756582
  C      -5.657292      7.264761      3.957325
  N      -6.167671      7.556096      5.146902
  C      -7.502653      7.368727      5.326683
  N      -8.376947      6.906308      4.457706
  C      -7.882184      6.607641      3.215899
  C      -8.766433      6.105413      2.229104
  C      -8.291953      5.786539      0.974637
  C      -6.922788      5.958963      0.659900
  C      -6.038550      6.455095      1.601705
  C      -6.496034      6.783459      2.902234
  C      -5.837512      2.847641      6.928675
  C      -6.624320      4.160164      7.075305
  C      -8.141933      3.982413      6.994133
  C      -8.708362      3.592371      5.648635
  N      -7.883650      3.384386      4.629649
  C      -8.415712      3.001688      3.433164
  N      -9.687625      2.827192      3.150159
  C     -10.569879      3.059694      4.168713
  C     -11.955729      2.908925      3.923820
  C     -12.862937      3.131577      4.938440
  C     -12.422387      3.509401      6.228911
  C     -11.076670      3.663500      6.494723
  C     -10.120441      3.444824      5.472537
  H      -3.007019      0.862973      2.482904
  H      -4.340596      1.983563      2.791309
  H      -4.470701      0.438870      5.074500
  H      -3.911148     -0.775116      3.921066
  H      -6.367725     -0.809461      4.001147
  H      -6.447738      0.953017      3.783812
  H      -6.434995      1.876614     -0.582021
  H      -5.638140     -2.459619     -1.898473
  H      -5.186393     -4.609214     -0.694488
  H      -5.117423     -4.650416      1.788252
  H      -5.492735     -2.585413      3.090767
  H      -4.403419      6.161962      6.173343
  H      -2.927840      6.743113      6.939757
  H      -2.349893      7.963472      4.786214
  H      -3.820500      8.520426      5.606577
  H      -4.034922      8.317930      3.077564
  H      -3.767943      6.591762      3.215846
  H      -7.881514      7.628712      6.320849
  H      -9.817579      5.974537      2.494549
  H      -8.975444      5.390181      0.219419
  H      -6.569892      5.703177     -0.337672
  H      -4.987673      6.596521      1.344987
  H      -6.030443      2.195893      7.799662
  H      -6.210473      2.314308      6.042313
  H      -6.373485      4.629768      8.038992
  H      -6.300217      4.858108      6.288287
  H      -8.475143      3.234001      7.735708
  H      -8.630565      4.922334      7.296170
  H      -7.691693      2.819050      2.632802
  H     -12.273148      2.614673      2.922194
  H     -13.930661      3.016167      4.747294
  H     -13.154778      3.681074      7.017147
  H     -10.749464      3.958562      7.492534
  N      -5.074059      4.045810      4.065343
  H      -5.048692      4.429995      3.117494
  H      -6.070375      3.839346      4.327004
98
Coordinates from ORCA-job orca E -6204.222870390075
  N      -2.779363      2.087665      4.161535
  Mo     -3.539762      3.613246      5.138246
  N      -4.389207      3.040189      6.785528
  C      -3.559887      2.823266      7.974282
  C      -2.222020      2.230064      7.544365
  N      -1.674911      3.019075      6.411047
  C      -0.781337      2.222623      5.531787
  C      -1.622391      1.338367      4.632734
  C      -1.001277      4.269538      6.852007
  C      -1.191147      5.295853      5.739193
  N      -2.616759      5.313540      5.418659
  H      -1.021471      0.997642      3.773687
  H      -1.946332      0.423709      5.163928
  H      -0.215214      2.935229      4.914891
  H      -0.059041      1.636960      6.128918
  H      -0.850061      6.292175      6.062142
  H      -0.597995      5.029438      4.851086
  H      -1.505095      4.629502      7.758616
  H       0.055756      4.078341      7.097885
  H      -4.056423      2.123469      8.666223
  H      -3.412186      3.767528      8.530255
  H      -2.391284      1.206633      7.182735
  H      -1.503725      2.186253      8.380701
  C      -3.647922      1.291831      3.278055
  C      -4.441233      0.187471      4.009064
  C      -5.888683      0.057247      3.497064
  C      -5.973543     -0.078777      2.001533
  N      -6.221252      1.033041      1.312439
  C      -6.239161      0.931903     -0.044851
  N      -6.038106     -0.145920     -0.776333
  C      -5.792956     -1.302672     -0.091555
  C      -5.575512     -2.501494     -0.814151
  C      -5.321375     -3.676398     -0.140320
  C      -5.270515     -3.703356      1.274704
  C      -5.480350     -2.550720      2.003673
  C      -5.747800     -1.324412      1.338704
  C      -3.365952      6.458093      5.961956
  C      -3.386825      7.678579      5.037986
  C      -4.183577      7.465662      3.752485
  C      -5.667587      7.278894      3.951211
  N      -6.180084      7.567023      5.142193
  C      -7.514634      7.378060      5.319349
  N      -8.383568      6.915884      4.446265
  C      -7.884555      6.620315      3.203044
  C      -8.757779      6.109571      2.213282
  C      -8.276724      5.789889      0.958244
  C      -6.913351      5.974603      0.644444
  C      -6.040037      6.477048      1.589521
  C      -6.502476      6.802235      2.890941
  C      -5.838455      2.844904      6.923286
  C      -6.624046      4.156895      7.067890
  C      -8.141073      3.980554      6.999496
  C      -8.716394      3.590478      5.659175
  N      -7.897372      3.386303      4.635072
  C      -8.435995      3.009754      3.439273
  N      -9.708349      2.833086      3.163879
  C     -10.584739      3.063716      4.189063
  C     -11.973338      2.919439      3.950400
  C     -12.876974      3.147265      4.968359
  C     -12.430038      3.521885      6.257358
  C     -11.081388      3.667640      6.517474
  C     -10.129486      3.445722      5.490759
  H      -3.016817      0.848459      2.487464
  H      -4.349758      1.977405      2.792831
  H      -4.488684      0.439082      5.080357
  H      -3.925059     -0.778745      3.927437
  H      -6.369554     -0.798032      3.991268
  H      -6.444882      0.959790      3.777993
  H      -6.441654      1.865075     -0.581055
  H      -5.620831     -2.459449     -1.903755
  H      -5.159025     -4.597715     -0.699451
  H      -5.071800     -4.643221      1.788546
  H      -5.448049     -2.584019      3.093651
  H      -4.401008      6.155611      6.171769
  H      -2.922357      6.740554      6.933680
  H      -2.355540      7.960301      4.777373
  H      -3.822525      8.512685      5.603743
  H      -4.038634      8.327384      3.079907
  H      -3.779304      6.599972      3.206189
  H      -7.897302      7.634545      6.314322
  H      -9.804027      5.969437      2.478043
  H      -8.950471      5.384985      0.201276
  H      -6.553361      5.718300     -0.354146
  H      -4.991788      6.624574      1.333878
  H      -6.029106      2.195227      7.795332
  H      -6.209454      2.308342      6.037706
  H      -6.367222      4.632864      8.026431
  H      -6.303458      4.848791      6.275099
  H      -8.473463      3.234689      7.744288
  H      -8.624111      4.923443      7.302714
  H      -7.717099      2.824623      2.635581
  H     -12.295547      2.628750      2.949582
  H     -13.947501      3.039539      4.781124
  H     -13.160138      3.699061      7.048904
  H     -10.749761      3.961494      7.513756
  N      -5.075530      4.038569      4.049639
  H      -5.035070      4.427182      3.106403
  H      -6.069249      3.838669      4.312702
98
Coordinates from ORCA-job orca E -6204.222741836360
  N      -2.766395      2.075812      4.183076
  Mo     -3.528326      3.607192      5.143815
  N      -4.381909      3.047155      6.792718
  C      -3.561071      2.841820      7.987272
  C      -2.221588      2.245250      7.569170
  N      -1.665212      3.022617      6.431539
  C      -0.770976      2.213479      5.567989
  C      -1.609706      1.323541      4.673279
  C      -0.991588      4.277552      6.858997
  C      -1.177987      5.291329      5.735027
  N      -2.604509      5.307009      5.412172
  H      -0.995202      0.967721      3.818715
  H      -1.944648      0.414160      5.218883
  H      -0.192419      2.914280      4.952019
  H      -0.061363      1.630319      6.175885
  H      -0.837175      6.290014      6.049170
  H      -0.582217      5.015745      4.849737
  H      -1.498411      4.648182      7.762647
  H       0.069493      4.088477      7.107805
  H      -4.064473      2.147619      8.683905
  H      -3.414263      3.793189      8.534698
  H      -2.389671      1.217174      7.215687
  H      -1.507870      2.210116      8.411176
  C      -3.624579      1.282633      3.291928
  C      -4.446022      0.195892      4.021923
  C      -5.894128      0.102768      3.507861
  C      -5.975766     -0.019647      2.014061
  N      -6.192299      1.102576      1.332976
  C      -6.210407      1.016621     -0.024500
  N      -6.035155     -0.056820     -0.762505
  C      -5.819142     -1.225733     -0.084801
  C      -5.626458     -2.422379     -0.814221
  C      -5.398916     -3.610716     -0.147516
  C      -5.361965     -3.648784      1.264572
  C      -5.552967     -2.495944      1.998477
  C      -5.780851     -1.262300      1.343525
  C      -3.354875      6.455168      5.938597
  C      -3.371708      7.669223      5.001848
  C      -4.171081      7.440802      3.720887
  C      -5.659828      7.266800      3.924710
  N      -6.168768      7.570479      5.111608
  C      -7.507392      7.388915      5.293355
  N      -8.382047      6.920143      4.429643
  C      -7.886256      6.610256      3.191722
  C      -8.764641      6.089480      2.214916
  C      -8.284986      5.751252      0.965992
  C      -6.919077      5.929072      0.643354
  C      -6.041562      6.440581      1.576378
  C      -6.501441      6.783768      2.872891
  C      -5.832832      2.850225      6.921451
  C      -6.622986      4.161734      7.061399
  C      -8.140263      3.977739      6.991215
  C      -8.710702      3.573278      5.651608
  N      -7.889103      3.376407      4.629794
  C      -8.421524      2.987007      3.434671
  N      -9.686975      2.782852      3.160304
  C     -10.566128      3.005745      4.183018
  C     -11.949199      2.834866      3.943297
  C     -12.856723      3.056599      4.957014
  C     -12.418990      3.451543      6.243143
  C     -11.075450      3.622033      6.504397
  C     -10.120016      3.406740      5.481759
  H      -2.982841      0.819861      2.519464
  H      -4.311414      1.976845      2.784345
  H      -4.495311      0.446343      5.093763
  H      -3.948532     -0.781670      3.940677
  H      -6.395876     -0.741690      3.997777
  H      -6.434038      1.017045      3.791676
  H      -6.386846      1.958570     -0.553380
  H      -5.664408     -2.369829     -1.902390
  H      -5.250545     -4.532981     -0.710567
  H      -5.188163     -4.597332      1.771792
  H      -5.530513     -2.537285      3.086286
  H      -4.389775      6.152441      6.147511
  H      -2.914356      6.745550      6.908652
  H      -2.338727      7.946874      4.737170
  H      -3.803696      8.513522      5.558912
  H      -4.017239      8.294051      3.035948
  H      -3.773731      6.562082      3.185391
  H      -7.887666      7.657770      6.284451
  H      -9.813819      5.957502      2.485469
  H      -8.961619      5.338807      0.219161
  H      -6.559635      5.659371     -0.351228
  H      -4.991483      6.581367      1.313181
  H      -6.023893      2.199052      7.793604
  H      -6.197551      2.311517      6.033814
  H      -6.371483      4.643701      8.021174
  H      -6.301685      4.852989      6.267543
  H      -8.471422      3.234719      7.739628
  H      -8.629102      4.921653      7.288984
  H      -7.697993      2.801845      2.633896
  H     -12.263820      2.529158      2.944743
  H     -13.922875      2.928256      4.769423
  H     -13.152300      3.624075      7.031373
  H     -10.751702      3.930470      7.498680
  N      -5.070978      4.022555      4.066689
  H      -5.039448      4.441066      3.124821
  H      -6.068289      3.860866      4.316899
98
Coordinates from ORCA-job orca E -6204.223103205597
  N      -2.757819      2.095214      4.168640
  Mo     -3.530243      3.611352      5.145022
  N      -4.384315      3.038748      6.788826
  C      -3.562599      2.830222      7.983415
  C      -2.220347      2.241611      7.564256
  N      -1.668664      3.026134      6.430756
  C      -0.770620      2.226824      5.559958
  C      -1.604607      1.343040      4.656914
  C      -1.000585      4.280729      6.866246
  C      -1.185923      5.297762      5.744132
  N      -2.611095      5.312592      5.417430
  H      -0.993092      0.996055      3.804674
  H      -1.936901      0.432573      5.192108
  H      -0.197692      2.934630      4.948102
  H      -0.056687      1.641472      6.162348
  H      -0.846635      6.296391      6.060764
  H      -0.587829      5.024475      4.861016
  H      -1.511074      4.646234      7.768147
  H       0.057683      4.094678      7.118964
  H      -4.062926      2.131956      8.675343
  H      -3.420460      3.778092      8.535457
  H      -2.382572      1.215268      7.208057
  H      -1.507593      2.206793      8.404966
  C      -3.616236      1.298246      3.276934
  C      -4.441232      0.212291      4.005222
  C      -5.891046      0.116502      3.487132
  C      -5.970686     -0.023283      1.992188
  N      -6.183060      1.091588      1.297090
  C      -6.197978      0.988033     -0.060378
  N      -6.023786     -0.095824     -0.786673
  C      -5.812820     -1.257237     -0.095181
  C      -5.623362     -2.462917     -0.811861
  C      -5.404245     -3.641984     -0.131948
  C      -5.366353     -3.664167      1.282457
  C      -5.550619     -2.504413      2.005479
  C      -5.776443     -1.276304      1.335651
  C      -3.362137      6.461290      5.948103
  C      -3.372652      7.675980      5.015252
  C      -4.170814      7.448415      3.733083
  C      -5.657034      7.267207      3.937551
  N      -6.166023      7.569485      5.125757
  C      -7.501020      7.382521      5.308440
  N      -8.373732      6.910644      4.444110
  C      -7.879859      6.602086      3.204155
  C      -8.760096      6.084843      2.224201
  C      -8.284006      5.752601      0.973414
  C      -6.918105      5.928889      0.653689
  C      -6.038402      6.437611      1.589179
  C      -6.496680      6.778309      2.886291
  C      -5.835437      2.845692      6.919267
  C      -6.623190      4.155378      7.061474
  C      -8.139573      3.971495      6.991400
  C      -8.711316      3.573150      5.651511
  N      -7.890080      3.371250      4.628469
  C      -8.425352      2.984391      3.433701
  N      -9.695171      2.792059      3.160002
  C     -10.573680      3.020227      4.183701
  C     -11.959207      2.858602      3.945608
  C     -12.864664      3.083430      4.961744
  C     -12.422519      3.472309      6.248188
  C     -11.076742      3.634369      6.507847
  C     -10.122788      3.415112      5.483101
  H      -2.973413      0.833380      2.509786
  H      -4.297083      1.988378      2.763077
  H      -4.489578      0.462882      5.077009
  H      -3.945565     -0.765344      3.926257
  H      -6.395215     -0.724432      3.984226
  H      -6.429250      1.034624      3.761486
  H      -6.371395      1.924403     -0.600959
  H      -5.658565     -2.423841     -1.901174
  H      -5.258451     -4.571212     -0.685462
  H      -5.192939     -4.608820      1.801986
  H      -5.526431     -2.534867      3.095525
  H      -4.398562      6.160766      6.154090
  H      -2.923673      6.748971      6.920302
  H      -2.336992      7.948377      4.751237
  H      -3.801785      8.523022      5.572696
  H      -4.021386      8.303190      3.049846
  H      -3.772218      6.573029      3.195535
  H      -7.880348      7.650122      6.300768
  H      -9.809084      5.953013      2.493206
  H      -8.963487      5.344048      0.224119
  H      -6.562010      5.663289     -0.341246
  H      -4.989566      6.580360      1.328139
  H      -6.027873      2.196015      7.789422
  H      -6.202205      2.309884      6.033342
  H      -6.370222      4.634089      8.020240
  H      -6.302904      4.847115      6.269079
  H      -8.469195      3.226236      7.737244
  H      -8.628042      4.912590      7.292211
  H      -7.703397      2.798593      2.630338
  H     -12.277321      2.556890      2.946660
  H     -13.932419      2.961724      4.775305
  H     -13.153852      3.646639      7.038076
  H     -10.749026      3.938133      7.502412
  N      -5.074050      4.021741      4.063421
  H      -5.045099      4.416791      3.119593
  H      -6.070125      3.829266      4.322781
98
Coordinates from ORCA-job orca E -6204.223052845836
  N      -2.761800      2.088579      4.163333
  Mo     -3.535117      3.606509      5.146214
  N      -4.385444      3.029088      6.795143
  C      -3.558088      2.824670      7.985509
  C      -2.214471      2.241236      7.562122
  N      -1.670716      3.024355      6.424086
  C      -0.775295      2.227435      5.547576
  C      -1.614097      1.337083      4.654107
  C      -1.001062      4.279196      6.856582
  C      -1.194285      5.297795      5.739880
  N      -2.619371      5.309482      5.422903
  H      -1.008361      0.979724      3.803696
  H      -1.949994      0.431877      5.194797
  H      -0.211195      2.938611      4.926341
  H      -0.050134      1.645652      6.145417
  H      -0.855759      6.296307      6.057995
  H      -0.602130      5.028453      4.852633
  H      -1.504725      4.643475      7.760627
  H       0.055441      4.093042      7.102564
  H      -4.049479      2.123865      8.678477
  H      -3.419494      3.770713      8.538951
  H      -2.373104      1.213553      7.209918
  H      -1.497297      2.211937      8.399503
  C      -3.618562      1.287973      3.275316
  C      -4.435902      0.196490      4.004661
  C      -5.886941      0.094397      3.492353
  C      -5.977758     -0.041722      1.997486
  N      -6.210331      1.072644      1.305623
  C      -6.232024      0.970954     -0.051549
  N      -6.045733     -0.110163     -0.779762
  C      -5.816411     -1.269790     -0.092174
  C      -5.611619     -2.473484     -0.810532
  C      -5.371259     -3.652673     -0.132891
  C      -5.327079     -3.676459      1.280379
  C      -5.523451     -2.519790      2.005582
  C      -5.772024     -1.290905      1.337925
  C      -3.370414      6.454681      5.958321
  C      -3.386532      7.672769      5.030493
  C      -4.182434      7.458912      3.744539
  C      -5.663731      7.269402      3.946663
  N      -6.172491      7.567277      5.134236
  C      -7.506536      7.378120      5.316870
  N      -8.378697      6.906755      4.452354
  C      -7.883899      6.601754      3.212619
  C      -8.763516      6.084012      2.231846
  C      -8.287530      5.754007      0.978595
  C      -6.922154      5.935178      0.657438
  C      -6.043045      6.445184      1.594190
  C      -6.501117      6.781617      2.894517
  C      -5.835330      2.840630      6.934257
  C      -6.617893      4.158342      7.056066
  C      -8.135330      3.982720      6.983142
  C      -8.706218      3.584229      5.642484
  N      -7.885067      3.384114      4.617981
  C      -8.422892      3.007586      3.421926
  N      -9.695451      2.823363      3.147321
  C     -10.572929      3.046311      4.173317
  C     -11.960359      2.890983      3.936386
  C     -12.863739      3.112026      4.955319
  C     -12.417889      3.491337      6.243072
  C     -11.070569      3.648056      6.501440
  C     -10.118571      3.431560      5.474223
  H      -2.975384      0.828406      2.502260
  H      -4.306586      1.969298      2.764396
  H      -4.479160      0.446259      5.077002
  H      -3.938514     -0.779991      3.923229
  H      -6.386285     -0.749008      3.988503
  H      -6.421686      1.006699      3.773496
  H      -6.420347      1.905767     -0.589391
  H      -5.653220     -2.433104     -1.899220
  H      -5.218390     -4.577903     -0.688502
  H      -5.144775     -4.617233      1.795468
  H      -5.495354     -2.550451      3.094185
  H      -4.405900      6.154350      6.163033
  H      -2.933224      6.740367      6.931856
  H      -2.356077      7.950484      4.770616
  H      -3.818969      8.509582      5.593000
  H      -4.041323      8.320803      3.070831
  H      -3.776212      6.595019      3.198539
  H      -7.885886      7.644376      6.308265
  H      -9.811415      5.948076      2.501759
  H      -8.966549      5.343396      0.228974
  H      -6.565756      5.672066     -0.341248
  H      -4.993998      6.590710      1.331144
  H      -6.029253      2.205528      7.818268
  H      -6.206423      2.287745      6.056711
  H      -6.364953      4.646821      8.010112
  H      -6.294513      4.840617      6.254939
  H      -8.470376      3.242478      7.733364
  H      -8.619974      4.928104      7.278209
  H      -7.702286      2.837015      2.615351
  H     -12.281073      2.597311      2.936130
  H     -13.933029      2.995245      4.769748
  H     -13.147321      3.662912      7.035549
  H     -10.740050      3.944446      7.497228
  N      -5.062433      4.023645      4.049686
  H      -5.028753      4.416221      3.102246
  H      -6.058619      3.832673      4.305323
98
Coordinates from ORCA-job orca E -6204.223246911920
  N      -2.752881      2.093771      4.167964
  Mo     -3.531157      3.606750      5.148749
  N      -4.384819      3.029428      6.793064
  C      -3.563774      2.824200      7.988222
  C      -2.218076      2.241306      7.572119
  N      -1.668985      3.025094      6.437085
  C      -0.770725      2.226988      5.566614
  C      -1.606303      1.339286      4.667987
  C      -1.003080      4.281252      6.870330
  C      -1.189259      5.297058      5.747044
  N      -2.614333      5.309157      5.420897
  H      -0.992750      0.980147      3.821130
  H      -1.948125      0.434798      5.210142
  H      -0.199702      2.935674      4.950892
  H      -0.052898      1.643069      6.168672
  H      -0.852153      6.296470      6.064096
  H      -0.590431      5.025017      4.863811
  H      -1.514103      4.647451      7.771290
  H       0.054659      4.097526      7.123679
  H      -4.060606      2.122784      8.678744
  H      -3.426641      3.771389      8.541772
  H      -2.374369      1.212603      7.219342
  H      -1.505358      2.212980      8.414226
  C      -3.603692      1.293310      3.275035
  C      -4.435286      0.210525      4.002186
  C      -5.887381      0.125044      3.488521
  C      -5.976359     -0.012323      1.994048
  N      -6.193342      1.102934      1.300322
  C      -6.213516      0.999122     -0.056765
  N      -6.039075     -0.084842     -0.783293
  C      -5.825672     -1.245715     -0.093589
  C      -5.634913     -2.451973     -0.810358
  C      -5.411946     -3.631577     -0.131256
  C      -5.370794     -3.654248      1.282567
  C      -5.556067     -2.493903      2.005586
  C      -5.785917     -1.264684      1.336351
  C      -3.366327      6.457597      5.947835
  C      -3.375451      7.671294      5.014139
  C      -4.174039      7.450913      3.730159
  C      -5.658408      7.267332      3.933176
  N      -6.168579      7.572249      5.119686
  C      -7.503827      7.385992      5.301030
  N      -8.375104      6.910679      4.436879
  C      -7.879083      6.599054      3.198552
  C      -8.756515      6.076762      2.218481
  C      -8.278654      5.741663      0.968038
  C      -6.914120      5.922681      0.648494
  C      -6.036872      6.435765      1.584243
  C      -6.496055      6.776531      2.881694
  C      -5.836356      2.842390      6.925179
  C      -6.619338      4.157236      7.053724
  C      -8.136008      3.976965      6.985861
  C      -8.707890      3.575390      5.647026
  N      -7.887860      3.379880      4.621051
  C      -8.425217      2.997310      3.426047
  N      -9.695137      2.800077      3.155256
  C     -10.571680      3.018468      4.183008
  C     -11.957521      2.851531      3.948876
  C     -12.860784      3.069801      4.968683
  C     -12.416152      3.456886      6.254873
  C     -11.070221      3.624010      6.510689
  C     -10.118686      3.411707      5.482132
  H      -2.955296      0.822743      2.514072
  H      -4.280346      1.977759      2.751567
  H      -4.478519      0.457832      5.074772
  H      -3.947392     -0.771356      3.919932
  H      -6.396088     -0.714044      3.986354
  H      -6.415899      1.045627      3.767572
  H      -6.391314      1.936023     -0.596683
  H      -5.672665     -2.413044     -1.899113
  H      -5.267045     -4.559909     -0.685190
  H      -5.196261     -4.598677      1.800952
  H      -5.529565     -2.523798      3.094868
  H      -4.403475      6.158639      6.150340
  H      -2.931969      6.746534      6.921484
  H      -2.340825      7.941758      4.751153
  H      -3.802917      8.516037      5.572484
  H      -4.027947      8.309185      3.052189
  H      -3.772199      6.581462      3.187605
  H      -7.884653      7.657459      6.291465
  H      -9.804001      5.941757      2.486956
  H      -8.955936      5.328001      0.219298
  H      -6.556387      5.656527     -0.347259
  H      -4.988823      6.581597      1.322338
  H      -6.032037      2.202214      7.803632
  H      -6.204912      2.296010      6.044276
  H      -6.364758      4.644347      8.007663
  H      -6.298801      4.841037      6.254086
  H      -8.467147      3.235705      7.736027
  H      -8.622662      4.921122      7.282379
  H      -7.705611      2.827263      2.618181
  H     -12.277257      2.552202      2.949735
  H     -13.929026      2.944888      4.785051
  H     -13.145609      3.626417      7.047990
  H     -10.740809      3.926435      7.505147
  N      -5.063563      4.015550      4.052203
  H      -5.026846      4.410326      3.107882
  H      -6.059192      3.822103      4.308024
98
Coordinates from ORCA-job orca E -6204.223286296813
  N      -2.736590      2.098386      4.172630
  Mo     -3.528445      3.602442      5.155622
  N      -4.383726      3.021253      6.797132
  C      -3.567868      2.820431      7.996389
  C      -2.217450      2.243793      7.586204
  N      -1.666880      3.027455      6.451450
  C      -0.763649      2.231180      5.583657
  C      -1.592518      1.345357      4.678406
  C      -1.008183      4.288090      6.883738
  C      -1.192313      5.299250      5.756343
  N      -2.616494      5.306419      5.423902
  H      -0.976593      0.989739      3.836223
  H      -1.935547      0.443330      5.216007
  H      -0.190568      2.940643      4.973470
  H      -0.049711      1.647262      6.187451
  H      -0.859536      6.300578      6.071112
  H      -0.589125      5.025716      4.876715
  H      -1.525874      4.654799      7.781138
  H       0.050245      4.109569      7.142709
  H      -4.066216      2.117673      8.684990
  H      -3.437390      3.769466      8.548947
  H      -2.365474      1.213247      7.235711
  H      -1.508605      2.222515      8.430890
  C      -3.582229      1.296533      3.275219
  C      -4.432667      0.226258      3.997463
  C      -5.883028      0.168536      3.480572
  C      -5.968718      0.028095      1.986961
  N      -6.166057      1.144781      1.290327
  C      -6.187636      1.040004     -0.067412
  N      -6.030184     -0.046908     -0.792238
  C      -5.834065     -1.211345     -0.098570
  C      -5.661478     -2.421501     -0.813050
  C      -5.458006     -3.603349     -0.130789
  C      -5.421910     -3.624013      1.283614
  C      -5.589629     -2.460246      2.004264
  C      -5.796412     -1.229675      1.332187
  C      -3.372247      6.458855      5.937449
  C      -3.368006      7.668075      4.996592
  C      -4.159977      7.436478      3.712555
  C      -5.647766      7.263612      3.912288
  N      -6.161757      7.588877      5.091797
  C      -7.499628      7.410112      5.270564
  N      -8.369632      6.926051      4.410171
  C      -7.869722      6.594330      3.179132
  C      -8.746370      6.063209      2.203911
  C      -8.264072      5.707910      0.961993
  C      -6.895649      5.876662      0.645388
  C      -6.019491      6.398020      1.576277
  C      -6.483563      6.760260      2.865192
  C      -5.836181      2.835173      6.924342
  C      -6.620092      4.147536      7.053510
  C      -8.136239      3.962562      6.989923
  C      -8.712238      3.561420      5.652856
  N      -7.895358      3.375062      4.623706
  C      -8.435994      2.993263      3.429481
  N      -9.705685      2.787640      3.163315
  C     -10.579103      2.997515      4.194927
  C     -11.964638      2.821782      3.965406
  C     -12.865033      3.032379      4.988314
  C     -12.417765      3.420206      6.273370
  C     -11.071870      3.594768      6.524755
  C     -10.123115      3.390038      5.492827
  H      -2.928050      0.814544      2.529461
  H      -4.245649      1.983687      2.733870
  H      -4.475738      0.468799      5.071048
  H      -3.959888     -0.761527      3.911933
  H      -6.408032     -0.657559      3.978603
  H      -6.395403      1.100373      3.756191
  H      -6.346600      1.976640     -0.607607
  H      -5.697196     -2.383426     -1.902803
  H      -5.325553     -4.535347     -0.682770
  H      -5.265800     -4.568997      1.803812
  H      -5.567311     -2.488103      3.093936
  H      -4.411362      6.161285      6.130637
  H      -2.947370      6.750721      6.913978
  H      -2.329721      7.930145      4.736493
  H      -3.791869      8.522828      5.544239
  H      -4.002934      8.288467      3.026562
  H      -3.762755      6.557014      3.180330
  H      -7.883879      7.697414      6.255308
  H      -9.797389      5.939134      2.470073
  H      -8.940759      5.287911      0.217408
  H      -6.533753      5.594716     -0.343006
  H      -4.969004      6.534904      1.316184
  H      -6.031762      2.193588      7.799896
  H      -6.201581      2.290897      6.042505
  H      -6.364176      4.637055      8.006324
  H      -6.302278      4.830267      6.252748
  H      -8.463187      3.219822      7.739067
  H      -8.624409      4.904148      7.290029
  H      -7.717866      2.825339      2.618884
  H     -12.286150      2.522356      2.966931
  H     -13.932940      2.900898      4.808424
  H     -13.145099      3.584154      7.068841
  H     -10.740733      3.897593      7.518432
  N      -5.066599      3.998263      4.061948
  H      -5.034427      4.392762      3.117377
  H      -6.064525      3.811443      4.316756
98
Coordinates from ORCA-job orca E -6204.223392623246
  N      -2.724339      2.099357      4.178026
  Mo     -3.525992      3.597427      5.162479
  N      -4.383069      3.013498      6.802676
  C      -3.570085      2.820806      8.004657
  C      -2.215148      2.249857      7.601490
  N      -1.664964      3.029710      6.464401
  C      -0.759589      2.231412      5.600980
  C      -1.587624      1.341636      4.699533
  C      -1.009655      4.293465      6.892213
  C      -1.193975      5.300158      5.761278
  N      -2.617723      5.303446      5.427288
  H      -0.966553      0.971226      3.864135
  H      -1.943293      0.446555      5.245887
  H      -0.186622      2.938440      4.987941
  H      -0.045128      1.650705      6.207202
  H      -0.863951      6.303277      6.073240
  H      -0.589071      5.024811      4.883627
  H      -1.529621      4.662905      7.787055
  H       0.048639      4.118489      7.153399
  H      -4.066848      2.117525      8.693349
  H      -3.446405      3.771623      8.554897
  H      -2.355890      1.216434      7.257338
  H      -1.508871      2.237903      8.448270
  C      -3.561874      1.295495      3.275945
  C      -4.430768      0.237002      3.996736
  C      -5.883108      0.201820      3.479399
  C      -5.972221      0.060894      1.985843
  N      -6.157955      1.178789      1.289514
  C      -6.179397      1.073062     -0.067400
  N      -6.032582     -0.015170     -0.792405
  C      -5.850172     -1.179948     -0.099747
  C      -5.690382     -2.390385     -0.814908
  C      -5.499687     -3.573788     -0.133538
  C      -5.463968     -3.595925      1.280955
  C      -5.620226     -2.431360      2.002175
  C      -5.814203     -1.198436      1.330733
  C      -3.374681      6.458401      5.933258
  C      -3.367215      7.663455      4.986351
  C      -4.158616      7.430187      3.701276
  C      -5.645493      7.254444      3.899158
  N      -6.160787      7.579550      5.077919
  C      -7.496971      7.396637      5.255182
  N      -8.363967      6.908518      4.394131
  C      -7.863188      6.576963      3.163888
  C      -8.737647      6.042561      2.187686
  C      -8.254543      5.687665      0.945598
  C      -6.887086      5.860518      0.629865
  C      -6.012902      6.384802      1.562087
  C      -6.478363      6.747022      2.851343
  C      -5.835971      2.831758      6.928950
  C      -6.616293      4.147564      7.048222
  C      -8.132696      3.964294      6.987040
  C      -8.708464      3.555609      5.652022
  N      -7.891942      3.370803      4.621147
  C      -8.433288      2.985674      3.428276
  N      -9.702568      2.772067      3.166024
  C     -10.575108      2.977512      4.199936
  C     -11.959693      2.790944      3.975189
  C     -12.858735      2.997492      5.000549
  C     -12.411112      3.391881      6.283339
  C     -11.066147      3.576875      6.530199
  C     -10.118613      3.375992      5.495809
  H      -2.899589      0.800110      2.545099
  H      -4.211564      1.980873      2.716300
  H      -4.470257      0.478672      5.071641
  H      -3.972483     -0.758998      3.911110
  H      -6.421801     -0.615738      3.978694
  H      -6.380266      1.142744      3.754294
  H      -6.335351      2.014651     -0.608714
  H      -5.724214     -2.352131     -1.904164
  H      -5.375152     -4.506871     -0.685808
  H      -5.314565     -4.544391      1.801669
  H      -5.597201     -2.460597      3.092216
  H      -4.415403      6.162169      6.124892
  H      -2.952836      6.755203      6.910616
  H      -2.328164      7.921372      4.725680
  H      -3.788714      8.521168      5.530582
  H      -4.003559      8.282003      3.014749
  H      -3.758686      6.552184      3.169755
  H      -7.882560      7.683882      6.238994
  H      -9.788150      5.916078      2.452956
  H      -8.930009      5.265216      0.200400
  H      -6.523960      5.579740     -0.359421
  H      -4.963097      6.525055      1.301897
  H      -6.035101      2.196714      7.808916
  H      -6.201512      2.281342      6.050206
  H      -6.358557      4.643670      7.997133
  H      -6.298202      4.823926      6.241859
  H      -8.459517      3.226378      7.741787
  H      -8.620627      4.908507      7.280919
  H      -7.716156      2.822710      2.615218
  H     -12.281285      2.486790      2.978220
  H     -13.925826      2.857409      4.824385
  H     -13.137274      3.552354      7.080930
  H     -10.734741      3.884060      7.522375
  N      -5.059635      3.983722      4.060293
  H      -5.023940      4.375618      3.114669
  H      -6.059107      3.802269      4.312011
98
Coordinates from ORCA-job orca E -6204.223385657094
  N      -2.710558      2.096556      4.182853
  Mo     -3.526790      3.587851      5.167049
  N      -4.390620      2.996179      6.800848
  C      -3.587076      2.803995      8.009049
  C      -2.224907      2.243530      7.619186
  N      -1.671380      3.026705      6.486711
  C      -0.759375      2.232127      5.630936
  C      -1.580058      1.338822      4.726629
  C      -1.026104      4.293599      6.917231
  C      -1.203796      5.298761      5.781770
  N      -2.625191      5.296057      5.434415
  H      -0.947341      0.957299      3.901687
  H      -1.949589      0.449858      5.280795
  H      -0.184251      2.941140      5.020802
  H      -0.046830      1.652224      6.241640
  H      -0.880565      6.303491      6.096765
  H      -0.589005      5.026354      4.909593
  H      -1.556117      4.661798      7.806722
  H       0.030440      4.126037      7.188180
  H      -4.085297      2.093279      8.689950
  H      -3.473436      3.753400      8.565144
  H      -2.353678      1.207070      7.275984
  H      -1.525566      2.238968      8.473935
  C      -3.532164      1.287121      3.275058
  C      -4.401836      0.222609      3.988491
  C      -5.862020      0.203047      3.487506
  C      -5.977544      0.075253      1.992991
  N      -6.181182      1.198453      1.304903
  C      -6.223672      1.102553     -0.053185
  N      -6.075726      0.018516     -0.786091
  C      -5.878197     -1.150290     -0.103027
  C      -5.714894     -2.356870     -0.827184
  C      -5.510670     -3.544066     -0.155837
  C      -5.465106     -3.574459      1.257187
  C      -5.622478     -2.414405      1.987550
  C      -5.827600     -1.177680      1.326785
  C      -3.387279      6.452659      5.925179
  C      -3.364188      7.653302      4.975600
  C      -4.152336      7.427910      3.683224
  C      -5.640730      7.255670      3.869239
  N      -6.166135      7.590228      5.040672
  C      -7.504667      7.413431      5.204666
  N      -8.364644      6.921359      4.337649
  C      -7.852919      6.579091      3.115234
  C      -8.718697      6.039499      2.133127
  C      -8.224283      5.675046      0.897968
  C      -6.853618      5.844254      0.595503
  C      -5.987609      6.373265      1.533714
  C      -6.464340      6.743316      2.816344
  C      -5.846026      2.830677      6.922534
  C      -6.612452      4.154634      7.039348
  C      -8.130318      3.981747      6.992525
  C      -8.714103      3.573227      5.662139
  N      -7.905241      3.405347      4.620645
  C      -8.454909      3.024953      3.430730
  N      -9.723241      2.795048      3.182267
  C     -10.587045      2.976842      4.229323
  C     -11.970542      2.767856      4.021798
  C     -12.860146      2.953131      5.060787
  C     -12.403900      3.347649      6.340096
  C     -11.059965      3.553891      6.570378
  C     -10.122274      3.374697      5.521989
  H      -2.860056      0.792195      2.550419
  H      -4.180198      1.963269      2.708365
  H      -4.427550      0.447904      5.066579
  H      -3.951737     -0.775959      3.885671
  H      -6.403019     -0.615791      3.988284
  H      -6.342854      1.145400      3.776634
  H      -6.386282      2.042712     -0.584539
  H      -5.758223     -2.312219     -1.915204
  H      -5.386141     -4.472073     -0.715719
  H      -5.307992     -4.525267      1.769422
  H      -5.591005     -2.449648      3.076332
  H      -4.431534      6.159719      6.100844
  H      -2.980448      6.751468      6.908048
  H      -2.319710      7.898220      4.719944
  H      -3.779958      8.515911      5.517459
  H      -3.993563      8.280994      3.001971
  H      -3.749444      6.553393      3.149512
  H      -7.899084      7.710822      6.181652
  H      -9.771356      5.916047      2.388089
  H      -8.893638      5.248247      0.148762
  H      -6.480818      5.557617     -0.388859
  H      -4.935480      6.511181      1.282598
  H      -6.055272      2.199706      7.803689
  H      -6.214907      2.281025      6.045201
  H      -6.343040      4.653794      7.981730
  H      -6.297389      4.823585      6.226076
  H      -8.455864      3.247984      7.752129
  H      -8.611656      4.930369      7.286521
  H      -7.746160      2.887754      2.605934
  H     -12.298579      2.464795      3.026873
  H     -13.926525      2.796011      4.897847
  H     -13.122445      3.491267      7.148756
  H     -10.721741      3.860411      7.560218
  N      -5.047132      3.971557      4.041501
  H      -4.997346      4.361068      3.095799
  H      -6.043533      3.782686      4.287224
98
Coordinates from ORCA-job orca E -6204.223527675256
  N      -2.702772      2.098704      4.188928
  Mo     -3.524961      3.586757      5.175178
  N      -4.387290      2.993508      6.811058
  C      -3.580956      2.808301      8.019056
  C      -2.217431      2.250039      7.628131
  N      -1.666640      3.031278      6.491717
  C      -0.753233      2.236156      5.635434
  C      -1.575570      1.341055      4.732516
  C      -1.022681      4.300715      6.920888
  C      -1.205562      5.305142      5.785666
  N      -2.628275      5.298243      5.440728
  H      -0.948242      0.958118      3.908297
  H      -1.946011      0.455505      5.284710
  H      -0.180943      2.946009      5.022067
  H      -0.037789      1.659366      6.246647
  H      -0.884694      6.311086      6.098811
  H      -0.591666      5.033604      4.911638
  H      -1.552360      4.667775      7.811554
  H       0.034963      4.133858      7.190546
  H      -4.075798      2.098891      8.703281
  H      -3.469843      3.759640      8.571630
  H      -2.344217      1.212578      7.287730
  H      -1.516297      2.249745      8.481388
  C      -3.520698      1.290058      3.275174
  C      -4.409291      0.239292      3.985178
  C      -5.866268      0.237940      3.475599
  C      -5.973111      0.103972      1.982532
  N      -6.154032      1.227111      1.292738
  C      -6.188631      1.128479     -0.064376
  N      -6.055709      0.042299     -0.795901
  C      -5.879832     -1.127486     -0.110336
  C      -5.733545     -2.336625     -0.832563
  C      -5.549542     -3.526062     -0.158445
  C      -5.507877     -3.556891      1.255905
  C      -5.651160     -2.393214      1.983822
  C      -5.836536     -1.153392      1.319589
  C      -3.393496      6.455109      5.926035
  C      -3.371907      7.651110      4.969349
  C      -4.153657      7.412949      3.678047
  C      -5.641488      7.237447      3.862805
  N      -6.170159      7.581202      5.029715
  C      -7.510853      7.406341      5.192630
  N      -8.369319      6.908851      4.327904
  C      -7.853077      6.556802      3.109948
  C      -8.715614      6.010602      2.130099
  C      -8.217263      5.638651      0.898837
  C      -6.846203      5.807400      0.597344
  C      -5.982922      6.341350      1.533492
  C      -6.462952      6.718245      2.812516
  C      -5.841506      2.824714      6.935894
  C      -6.607904      4.149931      7.043819
  C      -8.125453      3.978022      6.995460
  C      -8.708429      3.563296      5.665812
  N      -7.899331      3.393790      4.626109
  C      -8.448744      3.011637      3.436142
  N      -9.717928      2.783377      3.185427
  C     -10.582116      2.967155      4.230760
  C     -11.966904      2.760296      4.021166
  C     -12.856970      2.946769      5.058517
  C     -12.400239      3.341386      6.338396
  C     -11.055238      3.546161      6.570442
  C     -10.117036      3.365313      5.523765
  H      -2.843359      0.784979      2.563206
  H      -4.155530      1.968479      2.694723
  H      -4.438384      0.468779      5.062403
  H      -3.971079     -0.765572      3.887465
  H      -6.421776     -0.570252      3.976631
  H      -6.336505      1.190909      3.755423
  H      -6.340948      2.074363     -0.599017
  H      -5.773450     -2.292078     -1.921573
  H      -5.438605     -4.455325     -0.717047
  H      -5.366860     -4.509478      1.770364
  H      -5.624880     -2.427375      3.073069
  H      -4.436840      6.160259      6.099897
  H      -2.990704      6.758877      6.908244
  H      -2.330181      7.900142      4.715393
  H      -3.792727      8.513855      5.502351
  H      -3.995250      8.261729      2.990019
  H      -3.746504      6.535544      3.153436
  H      -7.908514      7.710802      6.166292
  H      -9.768428      5.887818      2.383996
  H      -8.883888      5.207292      0.151492
  H      -6.470332      5.515765     -0.384161
  H      -4.930436      6.478504      1.283080
  H      -6.049323      2.198291      7.821538
  H      -6.210786      2.268640      6.060883
  H      -6.337778      4.655295      7.983776
  H      -6.292343      4.813297      6.226084
  H      -8.452031      3.248793      7.758677
  H      -8.606671      4.928393      7.283921
  H      -7.738795      2.869153      2.614062
  H     -12.295355      2.457436      3.025846
  H     -13.924551      2.791061      4.894255
  H     -13.119378      3.486534      7.145749
  H     -10.717005      3.853489      7.560552
  N      -5.047405      3.962418      4.052361
  H      -4.999503      4.336198      3.099391
  H      -6.046151      3.783284      4.301732
98
Coordinates from ORCA-job orca E -6204.223564661231
  N      -2.695876      2.095698      4.198146
  Mo     -3.525300      3.580133      5.183224
  N      -4.387205      2.988273      6.820762
  C      -3.580470      2.812765      8.029222
  C      -2.215057      2.257884      7.639533
  N      -1.666604      3.033969      6.498832
  C      -0.750465      2.237020      5.643779
  C      -1.568947      1.338316      4.743818
  C      -1.024716      4.306802      6.923316
  C      -1.211550      5.306389      5.787926
  N      -2.633186      5.294460      5.444689
  H      -0.940974      0.952168      3.920988
  H      -1.938927      0.454860      5.297966
  H      -0.181460      2.945027      5.028407
  H      -0.033753      1.665648      6.255542
  H      -0.893299      6.313852      6.097114
  H      -0.599108      5.032590      4.915291
  H      -1.554300      4.675386      7.812577
  H       0.032827      4.142436      7.191964
  H      -4.073091      2.106896      8.716550
  H      -3.474157      3.766561      8.576077
  H      -2.337495      1.219628      7.305454
  H      -1.514769      2.265074      8.489996
  C      -3.515286      1.286161      3.282523
  C      -4.410962      0.239246      3.988677
  C      -5.866018      0.255789      3.480382
  C      -5.970708      0.127684      1.987592
  N      -6.148116      1.255144      1.303303
  C      -6.188269      1.165266     -0.055137
  N      -6.062364      0.083009     -0.792972
  C      -5.888056     -1.091561     -0.112839
  C      -5.747364     -2.297325     -0.841672
  C      -5.567174     -3.490578     -0.174106
  C      -5.526341     -3.527569      1.239711
  C      -5.661722     -2.368908      1.974714
  C      -5.840414     -1.126382      1.317809
  C      -3.400934      6.455807      5.919876
  C      -3.373294      7.646417      4.953751
  C      -4.145019      7.396413      3.660049
  C      -5.634126      7.225244      3.837352
  N      -6.166620      7.571162      5.002246
  C      -7.506282      7.396387      5.159818
  N      -8.360774      6.899293      4.291261
  C      -7.841391      6.543949      3.075565
  C      -8.701510      5.997787      2.092328
  C      -8.199310      5.620106      0.863796
  C      -6.826353      5.781741      0.568816
  C      -5.965627      6.316356      1.508470
  C      -6.451005      6.701799      2.784401
  C      -5.841028      2.817242      6.949102
  C      -6.609421      4.140217      7.063294
  C      -8.126837      3.965831      7.013275
  C      -8.710580      3.553036      5.682869
  N      -7.901444      3.386652      4.643273
  C      -8.451094      3.006561      3.452798
  N      -9.721647      2.780369      3.201055
  C     -10.586070      2.961083      4.246297
  C     -11.971328      2.753771      4.036449
  C     -12.861372      2.935018      5.074449
  C     -12.404348      3.325571      6.355103
  C     -11.058745      3.531144      6.587318
  C     -10.120200      3.354560      5.540263
  H      -2.835885      0.779911      2.575613
  H      -4.146375      1.967547      2.695935
  H      -4.438982      0.462708      5.067634
  H      -3.980809     -0.766044      3.883695
  H      -6.429541     -0.545264      3.976488
  H      -6.328212      1.211641      3.763324
  H      -6.336395      2.113079     -0.583825
  H      -5.787317     -2.247491     -1.930014
  H      -5.456025     -4.420372     -0.737157
  H      -5.388787     -4.482899      1.748892
  H      -5.633957     -2.409947      3.064340
  H      -4.445782      6.161065      6.092626
  H      -3.000841      6.766477      6.902979
  H      -2.330708      7.893983      4.704188
  H      -3.796240      8.514899      5.476273
  H      -3.979639      8.238598      2.963289
  H      -3.738284      6.510649      3.147508
  H      -7.906567      7.701313      6.132473
  H      -9.755997      5.879442      2.341722
  H      -8.864072      5.188985      0.113533
  H      -6.447334      5.484478     -0.410665
  H      -4.911128      6.447369      1.263811
  H      -6.045817      2.187739      7.831735
  H      -6.211336      2.264946      6.073287
  H      -6.339223      4.641190      8.006140
  H      -6.294447      4.807807      6.248660
  H      -8.450777      3.234575      7.774836
  H      -8.609625      4.913388      7.303702
  H      -7.740572      2.863727      2.631476
  H     -12.300308      2.453897      3.040626
  H     -13.929140      2.777984      4.910366
  H     -13.123640      3.466519      7.162758
  H     -10.720155      3.835240      7.578095
  N      -5.053313      3.948784      4.069395
  H      -5.012651      4.320149      3.115122
  H      -6.056552      3.788368      4.320166
98
Coordinates from ORCA-job orca E -6204.223671898253
  N      -2.681185      2.094506      4.207854
  Mo     -3.523418      3.574922      5.189601
  N      -4.389490      2.979731      6.823356
  C      -3.588548      2.808009      8.036505
  C      -2.219396      2.257931      7.654315
  N      -1.668684      3.036102      6.515710
  C      -0.745600      2.240802      5.667694
  C      -1.555882      1.341673      4.760390
  C      -1.034700      4.312451      6.942234
  C      -1.219520      5.310595      5.804817
  N      -2.639438      5.293144      5.453148
  H      -0.923688      0.960714      3.941975
  H      -1.927153      0.457433      5.309411
  H      -0.173624      2.950906      5.057530
  H      -0.033171      1.669236      6.284755
  H      -0.906140      6.319670      6.114215
  H      -0.601811      5.037896      4.935558
  H      -1.570748      4.678817      7.828296
  H       0.021900      4.153394      7.216503
  H      -4.082398      2.099922      8.721734
  H      -3.488367      3.763447      8.583575
  H      -2.336158      1.218358      7.319465
  H      -1.522811      2.267981      8.508895
  C      -3.488335      1.285987      3.281684
  C      -4.396635      0.243841      3.979555
  C      -5.854305      0.282683      3.476070
  C      -5.968411      0.160732      1.982720
  N      -6.131786      1.292394      1.302106
  C      -6.173981      1.205798     -0.055216
  N      -6.063454      0.123738     -0.796654
  C      -5.905328     -1.054262     -0.121075
  C      -5.783865     -2.258453     -0.854629
  C      -5.618282     -3.456480     -0.191374
  C      -5.574011     -3.500009      1.222542
  C      -5.691036     -2.342537      1.962033
  C      -5.855663     -1.094156      1.309134
  C      -3.413159      6.454856      5.916031
  C      -3.377357      7.640513      4.945083
  C      -4.140809      7.382293      3.647213
  C      -5.632187      7.213708      3.813591
  N      -6.174656      7.571749      4.969412
  C      -7.516108      7.399990      5.116101
  N      -8.363973      6.896569      4.244928
  C      -7.834399      6.528369      3.038729
  C      -8.688052      5.975486      2.053705
  C      -8.175091      5.583694      0.834824
  C      -6.797059      5.736151      0.551804
  C      -5.943023      6.278353      1.493288
  C      -6.440236      6.679842      2.759329
  C      -5.844655      2.816180      6.947743
  C      -6.604890      4.144730      7.064263
  C      -8.123935      3.979333      7.020775
  C      -8.711408      3.561011      5.694111
  N      -7.905114      3.396366      4.651045
  C      -8.456368      3.007634      3.464564
  N      -9.724440      2.768939      3.220531
  C     -10.585751      2.945574      4.269856
  C     -11.967442      2.718842      4.069417
  C     -12.853812      2.892984      5.112146
  C     -12.396609      3.296445      6.388139
  C     -11.054281      3.520793      6.611302
  C     -10.119208      3.350127      5.559614
  H      -2.799881      0.776956      2.585501
  H      -4.109231      1.967421      2.685944
  H      -4.418494      0.458351      5.059935
  H      -3.979323     -0.765725      3.865315
  H      -6.428835     -0.511635      3.973412
  H      -6.299976      1.245038      3.761031
  H      -6.311565      2.157897     -0.580316
  H      -5.826356     -2.203705     -1.943015
  H      -5.523071     -4.384223     -0.758364
  H      -5.449928     -4.458209      1.727764
  H      -5.662308     -2.387614      3.051462
  H      -4.458729      6.159028      6.077751
  H      -3.024117      6.769217      6.901465
  H      -2.331797      7.884410      4.701279
  H      -3.802725      8.513853      5.459934
  H      -3.969575      8.219132      2.946265
  H      -3.730652      6.491935      3.143810
  H      -7.924667      7.714933      6.081146
  H      -9.747017      5.864536      2.294068
  H      -8.835218      5.148312      0.082763
  H      -6.408872      5.427010     -0.419995
  H      -4.884469      6.402668      1.257453
  H      -6.055760      2.184578      7.827608
  H      -6.215404      2.269666      6.069372
  H      -6.327892      4.645468      8.005038
  H      -6.288886      4.809279      6.246718
  H      -8.450156      3.253786      7.787699
  H      -8.601319      4.931920      7.306896
  H      -7.748270      2.865897      2.640231
  H     -12.296627      2.409017      3.077133
  H     -13.918402      2.719414      4.955789
  H     -13.113113      3.431409      7.199545
  H     -10.715211      3.833650      7.598732
  N      -5.050148      3.936652      4.069842
  H      -5.003039      4.299117      3.111768
  H      -6.053291      3.782880      4.318508
98
Coordinates from ORCA-job orca E -6204.223922095181
  N      -2.646614      2.092271      4.237366
  Mo     -3.517991      3.560538      5.211816
  N      -4.391917      2.960138      6.839976
  C      -3.602130      2.803040      8.063065
  C      -2.223529      2.266331      7.698289
  N      -1.670128      3.044315      6.560023
  C      -0.732681      2.250331      5.728198
  C      -1.529595      1.343096      4.815849
  C      -1.053735      4.330106      6.985818
  C      -1.236041      5.321984      5.840387
  N      -2.652842      5.288628      5.471394
  H      -0.885368      0.954044      4.010781
  H      -1.914033      0.465490      5.368272
  H      -0.157068      2.961342      5.121450
  H      -0.025449      1.684779      6.357511
  H      -0.936240      6.335803      6.148548
  H      -0.605045      5.052085      4.978559
  H      -1.604645      4.694010      7.864219
  H       0.001820      4.183722      7.272869
  H      -4.095929      2.090710      8.745799
  H      -3.518046      3.762509      8.608119
  H      -2.325006      1.222343      7.368066
  H      -1.534744      2.289515      8.561027
  C      -3.424846      1.281341      3.289123
  C      -4.367319      0.252662      3.964435
  C      -5.827884      0.351986      3.472771
  C      -5.963690      0.251570      1.979081
  N      -6.102343      1.395465      1.313603
  C      -6.160271      1.327362     -0.043582
  N      -6.084008      0.252484     -0.799731
  C      -5.950878     -0.937945     -0.140049
  C      -5.865568     -2.135562     -0.889999
  C      -5.726513     -3.346384     -0.243462
  C      -5.675397     -3.410448      1.169645
  C      -5.758549     -2.258519      1.924470
  C      -5.892968     -0.996999      1.288672
  C      -3.440943      6.453892      5.896646
  C      -3.389462      7.619374      4.903515
  C      -4.132595      7.333095      3.598888
  C      -5.626279      7.164930      3.742235
  N      -6.192256      7.553424      4.876363
  C      -7.538698      7.391172      4.997877
  N      -8.370221      6.871489      4.120949
  C      -7.815210      6.469712      2.937586
  C      -8.649628      5.897244      1.948167
  C      -8.110407      5.472638      0.752165
  C      -6.724224      5.609328      0.497239
  C      -5.889266      6.171048      1.442937
  C      -6.413295      6.606299      2.685834
  C      -5.847747      2.806731      6.960554
  C      -6.594779      4.141981      7.079677
  C      -8.114695      3.988719      7.050064
  C      -8.711191      3.562556      5.730071
  N      -7.913665      3.413500      4.678058
  C      -8.472956      3.022264      3.496321
  N      -9.740363      2.766675      3.265104
  C     -10.592213      2.922645      4.325628
  C     -11.972589      2.670077      4.141919
  C     -12.848329      2.819798      5.197350
  C     -12.381950      3.225764      6.469521
  C     -11.041025      3.476223      6.676109
  C     -10.116777      3.328977      5.611532
  H      -2.715015      0.760779      2.623767
  H      -4.018171      1.960657      2.666407
  H      -4.376117      0.442762      5.049035
  H      -3.983764     -0.767876      3.825867
  H      -6.430556     -0.424827      3.969728
  H      -6.231189      1.329132      3.767498
  H      -6.278485      2.289459     -0.554632
  H      -5.915392     -2.064542     -1.977644
  H      -5.662379     -4.265849     -0.823831
  H      -5.575074     -4.377983      1.661461
  H      -5.727159     -2.317593      3.012484
  H      -4.488366      6.155806      6.037954
  H      -3.076720      6.787239      6.884539
  H      -2.339733      7.856594      4.670470
  H      -3.821433      8.503206      5.392910
  H      -3.952342      8.154852      2.883665
  H      -3.711355      6.434875      3.121853
  H      -7.967357      7.732364      5.944807
  H      -9.715126      5.798013      2.167380
  H      -8.755980      5.023369     -0.003330
  H      -6.314515      5.274609     -0.456396
  H      -4.824787      6.284233      1.228060
  H      -6.066529      2.174556      7.838258
  H      -6.221130      2.265695      6.080212
  H      -6.302922      4.643658      8.015000
  H      -6.282720      4.799711      6.255937
  H      -8.440440      3.273201      7.825742
  H      -8.583674      4.947783      7.330107
  H      -7.771645      2.894619      2.663905
  H     -12.309017      2.359166      3.152303
  H     -13.911710      2.624495      5.054643
  H     -13.090116      3.341156      7.291077
  H     -10.694702      3.790864      7.660666
  N      -5.041927      3.901389      4.078093
  H      -4.984114      4.230410      3.109110
  H      -6.043854      3.760084      4.329671
98
Coordinates from ORCA-job orca E -6204.224052114178
  N      -2.621981      2.083303      4.270367
  Mo     -3.519044      3.542299      5.234538
  N      -4.398640      2.939848      6.859385
  C      -3.618252      2.798338      8.090605
  C      -2.231428      2.274509      7.741673
  N      -1.676945      3.050206      6.602122
  C      -0.726956      2.257768      5.784235
  C      -1.510845      1.341159      4.869846
  C      -1.076748      4.344957      7.024435
  C      -1.257646      5.328885      5.871051
  N      -2.671086      5.279785      5.487292
  H      -0.857139      0.945939      4.076514
  H      -1.903206      0.469703      5.425212
  H      -0.150178      2.969578      5.178906
  H      -0.022666      1.699193      6.423459
  H      -0.970920      6.347277      6.176654
  H      -0.614777      5.060502      5.016475
  H      -1.640404      4.707806      7.895668
  H      -0.022038      4.210876      7.321949
  H      -4.111089      2.083609      8.772204
  H      -3.549009      3.761761      8.631726
  H      -2.318392      1.226470      7.418287
  H      -1.549700      2.312164      8.610497
  C      -3.374059      1.268685      3.303932
  C      -4.341126      0.246103      3.956617
  C      -5.803626      0.400177      3.483283
  C      -5.960797      0.333984      1.990275
  N      -6.087670      1.494505      1.351387
  C      -6.163167      1.457010     -0.005357
  N      -6.111622      0.397689     -0.785747
  C      -5.991022     -0.808701     -0.153925
  C      -5.932467     -1.990248     -0.931068
  C      -5.807516     -3.217124     -0.313115
  C      -5.745320     -3.314577      1.097739
  C      -5.802628     -2.178207      1.878516
  C      -5.920657     -0.900058      1.272000
  C      -3.471506      6.450041      5.870595
  C      -3.399177      7.593516      4.853982
  C      -4.119444      7.277718      3.542555
  C      -5.615951      7.113317      3.660696
  N      -6.204974      7.531736      4.771791
  C      -7.555668      7.379128      4.866624
  N      -8.370480      6.843154      3.983836
  C      -7.790697      6.408326      2.824786
  C      -8.605655      5.815476      1.831282
  C      -8.041115      5.358254      0.659628
  C      -6.648191      5.480310      0.434060
  C      -5.831985      6.061502      1.383870
  C      -6.382062      6.530610      2.602267
  C      -5.855676      2.799348      6.978760
  C      -6.587223      4.142899      7.102154
  C      -8.108077      4.004312      7.086828
  C      -8.713979      3.571694      5.773216
  N      -7.925974      3.438801      4.711807
  C      -8.493646      3.046164      3.534699
  N      -9.759488      2.773387      3.316574
  C     -10.600629      2.907432      4.388757
  C     -11.978152      2.628257      4.222173
  C     -12.842175      2.753170      5.290668
  C     -12.367041      3.162011      6.558883
  C     -11.028932      3.439184      6.748573
  C     -10.116481      3.315563      5.670841
  H      -2.645797      0.742659      2.662922
  H      -3.947261      1.945390      2.660496
  H      -4.335758      0.405055      5.045836
  H      -3.986173     -0.779795      3.786158
  H      -6.426513     -0.366193      3.973693
  H      -6.172236      1.384592      3.797813
  H      -6.273163      2.432425     -0.493180
  H      -5.991827     -1.893647     -2.016277
  H      -5.764938     -4.122708     -0.914643
  H      -5.657178     -4.294818      1.567109
  H      -5.764189     -2.261902      2.964407
  H      -4.520962      6.151352      5.990961
  H      -3.132744      6.803732      6.859836
  H      -2.344431      7.822575      4.633802
  H      -3.836457      8.489788      5.315603
  H      -3.925967      8.082089      2.811729
  H      -3.689566      6.368741      3.094881
  H      -8.003705      7.746031      5.794440
  H      -9.676513      5.726716      2.028434
  H      -8.671899      4.894471     -0.099140
  H      -6.218086      5.120565     -0.500748
  H      -4.762166      6.163526      1.191061
  H      -6.081978      2.166576      7.854611
  H      -6.234064      2.264668      6.096847
  H      -6.279637      4.643663      8.032666
  H      -6.278284      4.794471      6.272547
  H      -8.433811      3.298797      7.871135
  H      -8.567117      4.970393      7.361205
  H      -7.800296      2.935534      2.693544
  H     -12.321604      2.316138      3.235278
  H     -13.903089      2.535526      5.161931
  H     -13.066114      3.257722      7.390844
  H     -10.675654      3.755725      7.730183
  N      -5.040666      3.864100      4.090873
  H      -4.974840      4.160923      3.112047
  H      -6.043643      3.744405      4.345016
98
Coordinates from ORCA-job orca E -6204.224220717586
  N      -2.648800      2.071602      4.284094
  Mo     -3.533879      3.542124      5.240365
  N      -4.412730      2.943601      6.865751
  C      -3.631282      2.793581      8.095313
  C      -2.246370      2.267627      7.744016
  N      -1.691830      3.046568      6.607880
  C      -0.744451      2.258276      5.783384
  C      -1.530419      1.335843      4.875849
  C      -1.090423      4.338067      7.034819
  C      -1.269791      5.329010      5.887169
  N      -2.681660      5.278938      5.498770
  H      -0.876884      0.940683      4.079881
  H      -1.915168      0.462757      5.435961
  H      -0.174432      2.972725      5.172851
  H      -0.032687      1.702614      6.418426
  H      -0.987714      6.345687      6.203557
  H      -0.621719      5.069416      5.032764
  H      -1.653766      4.697517      7.908179
  H      -0.034682      4.201229      7.330293
  H      -4.126456      2.076917      8.772592
  H      -3.558537      3.754283      8.640593
  H      -2.336042      1.221068      7.416631
  H      -1.564279      2.301221      8.613262
  C      -3.401440      1.253838      3.317800
  C      -4.327809      0.190191      3.964498
  C      -5.801851      0.316185      3.516927
  C      -5.980896      0.290763      2.025642
  N      -6.169647      1.463970      1.427348
  C      -6.271940      1.465248      0.071609
  N      -6.189088      0.434906     -0.743305
  C      -6.001647     -0.784731     -0.152739
  C      -5.905956     -1.937768     -0.967998
  C      -5.717207     -3.177163     -0.391442
  C      -5.627566     -3.315843      1.014115
  C      -5.720193     -2.207099      1.830995
  C      -5.901170     -0.917251      1.267515
  C      -3.483163      6.455981      5.858877
  C      -3.399174      7.588574      4.832185
  C      -4.104174      7.259764      3.515373
  C      -5.602414      7.098092      3.616402
  N      -6.205991      7.519088      4.719292
  C      -7.559462      7.374091      4.794417
  N      -8.363956      6.842191      3.899344
  C      -7.768604      6.403277      2.749000
  C      -8.571225      5.813816      1.743188
  C      -7.991325      5.355039      0.579899
  C      -6.595494      5.470207      0.375722
  C      -5.790559      6.046087      1.338148
  C      -6.356164      6.517812      2.547508
  C      -5.869134      2.809092      6.991770
  C      -6.591942      4.154827      7.134649
  C      -8.111933      4.025112      7.130631
  C      -8.725859      3.599315      5.818245
  N      -7.944670      3.479646      4.751006
  C      -8.519256      3.100113      3.572985
  N      -9.786764      2.831120      3.358091
  C     -10.620676      2.948990      4.437552
  C     -12.000301      2.671132      4.276224
  C     -12.856936      2.777996      5.352923
  C     -12.372324      3.168604      6.623921
  C     -11.032443      3.446141      6.808145
  C     -10.127876      3.340111      5.722175
  H      -2.671421      0.759836      2.651627
  H      -4.005763      1.927050      2.700046
  H      -4.307046      0.323786      5.057528
  H      -3.948797     -0.822683      3.763229
  H      -6.394979     -0.483602      3.992178
  H      -6.196096      1.280254      3.864072
  H      -6.437255      2.449402     -0.383454
  H      -5.989558     -1.809504     -2.048338
  H      -5.647216     -4.060347     -1.021994
  H      -5.490684     -4.305577      1.450603
  H      -5.661933     -2.322248      2.912500
  H      -4.534959      6.160934      5.972425
  H      -3.151205      6.819242      6.847764
  H      -2.341376      7.816334      4.621869
  H      -3.841593      8.489052      5.280735
  H      -3.901044      8.054216      2.776778
  H      -3.670946      6.344851      3.084035
  H      -8.019052      7.744117      5.715984
  H      -9.644383      5.728601      1.924544
  H      -8.612440      4.895341     -0.189017
  H      -6.153951      5.110274     -0.553220
  H      -4.717927      6.141579      1.163109
  H      -6.091897      2.168594      7.863301
  H      -6.256922      2.284878      6.106908
  H      -6.272052      4.644411      8.066845
  H      -6.288666      4.810754      6.307104
  H      -8.436130      3.321020      7.915394
  H      -8.562227      4.993850      7.409063
  H      -7.830060      3.002173      2.726973
  H     -12.351368      2.373573      3.287140
  H     -13.919668      2.560408      5.228609
  H     -13.065667      3.250034      7.462349
  H     -10.671879      3.749730      7.791577
  N      -5.054810      3.875953      4.099974
  H      -4.993168      4.145595      3.113707
  H      -6.057097      3.775067      4.368476
98
Coordinates from ORCA-job orca E -6204.224380315480
  N      -2.636645      2.064637      4.308376
  Mo     -3.526832      3.538061      5.251087
  N      -4.411641      2.954578      6.877999
  C      -3.628666      2.818910      8.109130
  C      -2.245553      2.285164      7.761448
  N      -1.690407      3.057731      6.620944
  C      -0.736243      2.265023      5.807095
  C      -1.517083      1.334408      4.901096
  C      -1.091558      4.352299      7.045339
  C      -1.271373      5.338192      5.894512
  N      -2.680680      5.282149      5.502462
  H      -0.861252      0.942601      4.104358
  H      -1.893923      0.455673      5.458342
  H      -0.164854      2.975308      5.192993
  H      -0.025719      1.717697      6.450953
  H      -0.991997      6.356786      6.207265
  H      -0.620786      5.076754      5.043331
  H      -1.656394      4.713805      7.915933
  H      -0.038035      4.217494      7.344362
  H      -4.123669      2.111043      8.795601
  H      -3.555079      3.784796      8.644120
  H      -2.342049      1.238514      7.437905
  H      -1.561898      2.317672      8.628801
  C      -3.377282      1.251643      3.326299
  C      -4.321068      0.196355      3.961505
  C      -5.794496      0.359616      3.536967
  C      -5.993046      0.351015      2.045736
  N      -6.172546      1.532677      1.457455
  C      -6.304156      1.548941      0.101352
  N      -6.253728      0.523826     -0.721836
  C      -6.071622     -0.704418     -0.141514
  C      -6.002272     -1.856768     -0.964961
  C      -5.824155     -3.102816     -0.398519
  C      -5.721238     -3.247339      1.004519
  C      -5.783143     -2.142091      1.829844
  C      -5.947784     -0.848091      1.277565
  C      -3.489050      6.457726      5.856683
  C      -3.416046      7.585769      4.825671
  C      -4.095243      7.245007      3.500360
  C      -5.592403      7.069530      3.576907
  N      -6.217161      7.478304      4.674398
  C      -7.569181      7.324342      4.728075
  N      -8.355475      6.796084      3.814961
  C      -7.737552      6.366589      2.670232
  C      -8.516684      5.776764      1.646781
  C      -7.914232      5.326014      0.489608
  C      -6.519075      5.450496      0.309773
  C      -5.735317      6.024804      1.289591
  C      -6.324182      6.490071      2.492435
  C      -5.865170      2.808691      7.006411
  C      -6.596136      4.149590      7.164499
  C      -8.114360      4.010687      7.156976
  C      -8.718966      3.569804      5.844724
  N      -7.931919      3.445463      4.781866
  C      -8.495488      3.047544      3.604312
  N      -9.759895      2.769999      3.384965
  C     -10.600295      2.892836      4.458811
  C     -11.976555      2.603677      4.292716
  C     -12.839866      2.710252      5.365269
  C     -12.365567      3.113204      6.636527
  C     -11.028981      3.403496      6.825460
  C     -10.117676      3.297854      5.744004
  H      -2.635406      0.757271      2.672986
  H      -3.964501      1.930018      2.699240
  H      -4.281882      0.306519      5.055619
  H      -3.970465     -0.817707      3.732585
  H      -6.399743     -0.431250      4.009878
  H      -6.165088      1.325742      3.897978
  H      -6.454351      2.532733     -0.344718
  H      -6.096811     -1.722662     -2.042954
  H      -5.771456     -3.988191     -1.035051
  H      -5.595291     -4.240525      1.432897
  H      -5.712083     -2.265399      2.910453
  H      -4.539627      6.157792      5.972152
  H      -3.157842      6.829842      6.843540
  H      -2.363961      7.835492      4.631237
  H      -3.885498      8.473467      5.264840
  H      -3.891360      8.035143      2.759614
  H      -3.642997      6.332287      3.083722
  H      -8.045655      7.683449      5.647233
  H      -9.589432      5.682942      1.809156
  H      -8.516887      4.866012     -0.293707
  H      -6.061195      5.093855     -0.614753
  H      -4.660747      6.123833      1.136566
  H      -6.085645      2.156102      7.870106
  H      -6.252497      2.296280      6.113554
  H      -6.278775      4.631060      8.101539
  H      -6.296598      4.814606      6.342655
  H      -8.435409      3.311064      7.946192
  H      -8.571391      4.979037      7.425462
  H      -7.800790      2.936943      2.764840
  H     -12.321004      2.295876      3.304174
  H     -13.900424      2.483125      5.236972
  H     -13.064548      3.193608      7.471584
  H     -10.675982      3.717288      7.808523
  N      -5.053678      3.861970      4.115818
  H      -4.998002      4.098690      3.120380
  H      -6.055102      3.767006      4.391278
98
Coordinates from ORCA-job orca E -6204.224515366650
  N      -2.626882      2.069116      4.298832
  Mo     -3.531038      3.531809      5.248587
  N      -4.413527      2.939830      6.875995
  C      -3.629938      2.807470      8.106339
  C      -2.244361      2.281458      7.755419
  N      -1.694158      3.057791      6.615423
  C      -0.731977      2.271846      5.801348
  C      -1.500908      1.342416      4.886252
  C      -1.101361      4.354326      7.043643
  C      -1.285848      5.339769      5.897195
  N      -2.692073      5.277242      5.503354
  H      -0.837210      0.964130      4.087177
  H      -1.868042      0.453450      5.435554
  H      -0.161133      2.984980      5.193531
  H      -0.023232      1.727023      6.445785
  H      -1.013486      6.358308      6.213584
  H      -0.633781      5.084164      5.048587
  H      -1.666421      4.712620      7.913367
  H      -0.049266      4.223761      7.341982
  H      -4.120941      2.100284      8.793869
  H      -3.562175      3.772838      8.639304
  H      -2.335056      1.236589      7.431711
  H      -1.561832      2.316458      8.619345
  C      -3.372223      1.258969      3.317586
  C      -4.300267      0.188291      3.945019
  C      -5.777806      0.345542      3.531526
  C      -5.980172      0.337810      2.039822
  N      -6.171424      1.518646      1.450997
  C      -6.302567      1.525343      0.096205
  N      -6.244716      0.495128     -0.724430
  C      -6.055715     -0.727477     -0.144750
  C      -5.986346     -1.878601     -0.966587
  C      -5.798280     -3.120892     -0.398544
  C      -5.680122     -3.264891      1.005096
  C      -5.744079     -2.159507      1.828727
  C      -5.925477     -0.865596      1.273869
  C      -3.502423      6.453253      5.856005
  C      -3.421459      7.585729      4.828396
  C      -4.087824      7.244072      3.497641
  C      -5.587592      7.074395      3.561701
  N      -6.219088      7.478968      4.657201
  C      -7.570371      7.323756      4.701196
  N      -8.351854      6.801617      3.779336
  C      -7.727637      6.375279      2.636999
  C      -8.502212      5.789693      1.606381
  C      -7.892124      5.335693      0.453639
  C      -6.493766      5.454328      0.285126
  C      -5.714827      6.026880      1.271734
  C      -6.312149      6.496082      2.470360
  C      -5.865832      2.788535      7.007868
  C      -6.603171      4.122025      7.194555
  C      -8.122948      3.977110      7.186960
  C      -8.740526      3.571216      5.870422
  N      -7.963083      3.468439      4.801333
  C      -8.537557      3.098543      3.621285
  N      -9.807695      2.835556      3.404339
  C     -10.640186      2.942217      4.483691
  C     -12.020841      2.670834      4.319476
  C     -12.876302      2.762318      5.397727
  C     -12.389075      3.131300      6.672823
  C     -11.047339      3.403017      6.860121
  C     -10.143645      3.312750      5.772707
  H      -2.633247      0.782164      2.655752
  H      -3.968833      1.941255      2.701878
  H      -4.252905      0.279021      5.039816
  H      -3.942830     -0.816943      3.695845
  H      -6.374219     -0.451530      4.001707
  H      -6.155318      1.305973      3.901256
  H      -6.469976      2.510232     -0.352412
  H      -6.087595     -1.747554     -2.044228
  H      -5.743121     -4.007343     -1.033345
  H      -5.538293     -4.259818      1.436041
  H      -5.662088     -2.283006      2.910000
  H      -4.552845      6.151393      5.966760
  H      -3.174745      6.824694      6.845198
  H      -2.366182      7.837802      4.643025
  H      -3.896119      8.474555      5.266822
  H      -3.871340      8.035015      2.758453
  H      -3.637728      6.325926      3.082975
  H      -8.052093      7.676739      5.620252
  H      -9.577688      5.700680      1.760121
  H      -8.490969      4.877526     -0.335503
  H      -6.030150      5.092316     -0.634947
  H      -4.637638      6.120458      1.128544
  H      -6.079959      2.119596      7.858489
  H      -6.253211      2.294086      6.107656
  H      -6.287455      4.583979      8.141913
  H      -6.305295      4.806874      6.387865
  H      -8.439044      3.258253      7.958625
  H      -8.579698      4.934821      7.482109
  H      -7.848522      2.998283      2.777650
  H     -12.375416      2.389078      3.328088
  H     -13.940193      2.549906      5.270663
  H     -13.082031      3.200318      7.512008
  H     -10.684204      3.691446      7.846246
  N      -5.068701      3.855816      4.128754
  H      -5.026645      4.115475      3.136603
  H      -6.071810      3.768235      4.401043
98
Coordinates from ORCA-job orca E -6204.224636938049
  N      -2.633402      2.066857      4.304315
  Mo     -3.536236      3.530844      5.253341
  N      -4.412777      2.938003      6.884193
  C      -3.627330      2.807896      8.112828
  C      -2.241157      2.283432      7.760152
  N      -1.694055      3.058151      6.617865
  C      -0.735324      2.273318      5.800451
  C      -1.506885      1.342982      4.890208
  C      -1.100738      4.355231      7.041389
  C      -1.287369      5.338543      5.892497
  N      -2.696010      5.276446      5.503525
  H      -0.845554      0.963038      4.091593
  H      -1.872485      0.455937      5.441349
  H      -0.167094      2.986386      5.190038
  H      -0.022767      1.728396      6.440724
  H      -1.015499      6.357774      6.207290
  H      -0.635938      5.081215      5.042396
  H      -1.664620      4.716064      7.912555
  H      -0.045912      4.224668      7.337761
  H      -4.115839      2.100165      8.801711
  H      -3.559438      3.774052      8.644706
  H      -2.330754      1.237468      7.438703
  H      -1.556453      2.321648      8.622775
  C      -3.373845      1.253034      3.324335
  C      -4.298744      0.178569      3.952551
  C      -5.777373      0.333712      3.536563
  C      -5.976183      0.330613      2.045923
  N      -6.167582      1.512049      1.466429
  C      -6.301677      1.530096      0.111625
  N      -6.247535      0.510606     -0.717233
  C      -6.051635     -0.717620     -0.145997
  C      -5.980100     -1.861951     -0.976240
  C      -5.786379     -3.109166     -0.417446
  C      -5.669586     -3.262155      0.984317
  C      -5.735456     -2.164044      1.816144
  C      -5.917956     -0.868115      1.271662
  C      -3.502361      6.454991      5.855336
  C      -3.421492      7.583805      4.821820
  C      -4.094986      7.236656      3.495595
  C      -5.594043      7.063744      3.566872
  N      -6.221750      7.465516      4.664693
  C      -7.571467      7.303489      4.714607
  N      -8.353408      6.775324      3.797690
  C      -7.733967      6.354885      2.652396
  C      -8.512547      5.768031      1.625109
  C      -7.908611      5.322596      0.467145
  C      -6.512148      5.451699      0.289577
  C      -5.729836      6.024982      1.273495
  C      -6.321358      6.485347      2.477732
  C      -5.866211      2.791026      7.017244
  C      -6.599197      4.130196      7.187353
  C      -8.119870      3.992557      7.178264
  C      -8.735552      3.578807      5.862564
  N      -7.955045      3.463422      4.794270
  C      -8.528127      3.087354      3.614548
  N      -9.796445      2.822001      3.398604
  C     -10.631193      2.941616      4.476781
  C     -12.010194      2.671266      4.312193
  C     -12.869046      2.779892      5.387647
  C     -12.386775      3.164365      6.660500
  C     -11.046558      3.433881      6.848380
  C     -10.139126      3.326154      5.763782
  H      -2.632701      0.773514      2.663998
  H      -3.971443      1.931920      2.703095
  H      -4.249380      0.266563      5.049944
  H      -3.936860     -0.829115      3.700490
  H      -6.370869     -0.467558      4.000909
  H      -6.160386      1.294536      3.911335
  H      -6.472703      2.518380     -0.329000
  H      -6.084906     -1.721892     -2.053266
  H      -5.730641     -3.989706     -1.058831
  H      -5.531088     -4.256192      1.406219
  H      -5.655120     -2.293531      2.895547
  H      -4.553881      6.157126      5.972172
  H      -3.169597      6.828831      6.841327
  H      -2.364315      7.833484      4.630024
  H      -3.892092      8.477165      5.260076
  H      -3.881308      8.026087      2.752542
  H      -3.645376      6.318948      3.081207
  H      -8.050437      7.652133      5.635164
  H      -9.587175      5.673790      1.785134
  H      -8.510981      4.864619     -0.319723
  H      -6.052977      5.099672     -0.635974
  H      -4.655484      6.128963      1.121242
  H      -6.081060      2.132138      7.876768
  H      -6.254626      2.284957      6.122324
  H      -6.284753      4.602296      8.131086
  H      -6.295706      4.805098      6.373229
  H      -8.443483      3.281230      7.957374
  H      -8.572177      4.957354      7.463868
  H      -7.838997      2.982103      2.770979
  H     -12.360404      2.377628      3.322089
  H     -13.931291      2.568635      5.260204
  H     -13.082373      3.247293      7.497684
  H     -10.687340      3.733182      7.833161
  N      -5.073379      3.844489      4.133599
  H      -5.030501      4.098425      3.142901
  H      -6.078658      3.759457      4.413373
98
Coordinates from ORCA-job orca E -6204.224701180477
  N      -2.634717      2.061546      4.313450
  Mo     -3.532390      3.532677      5.257691
  N      -4.408095      2.946289      6.891753
  C      -3.622379      2.816843      8.120747
  C      -2.238111      2.289070      7.767895
  N      -1.691210      3.062734      6.624404
  C      -0.734240      2.276802      5.807251
  C      -1.506893      1.342836      4.900387
  C      -1.097169      4.360373      7.044396
  C      -1.282275      5.341596      5.891383
  N      -2.692090      5.279203      5.503081
  H      -0.846461      0.963863      4.102542
  H      -1.868615      0.456645      5.453846
  H      -0.166629      2.989940      5.194223
  H      -0.019893      1.732458      6.447847
  H      -1.009436      6.361407      6.204948
  H      -0.629932      5.082571      5.041020
  H      -1.661370      4.723536      7.915522
  H      -0.041272      4.229818      7.341747
  H      -4.111841      2.109370      8.810947
  H      -3.550895      3.784483      8.652600
  H      -2.330626      1.241913      7.445946
  H      -1.550810      2.326387      8.630873
  C      -3.367431      1.245712      3.330786
  C      -4.293758      0.169712      3.955387
  C      -5.772640      0.336032      3.553469
  C      -5.985679      0.345561      2.065025
  N      -6.182310      1.532416      1.494104
  C      -6.326301      1.559694      0.140361
  N      -6.274643      0.542841     -0.694366
  C      -6.078017     -0.688589     -0.132205
  C      -6.014865     -1.827252     -0.969923
  C      -5.825101     -3.075495     -0.420972
  C      -5.697929     -3.238440      0.978945
  C      -5.754474     -2.146172      1.817778
  C      -5.937203     -0.847053      1.282658
  C      -3.499174      6.456584      5.852537
  C      -3.425478      7.581991      4.815480
  C      -4.096085      7.228742      3.489932
  C      -5.593449      7.050690      3.560463
  N      -6.222917      7.453233      4.656310
  C      -7.573660      7.291395      4.704916
  N      -8.354615      6.761741      3.788521
  C      -7.733069      6.340720      2.644944
  C      -8.510957      5.753434      1.617976
  C      -7.906177      5.311372      0.460489
  C      -6.508895      5.442849      0.283156
  C      -5.726981      6.014598      1.267370
  C      -6.319445      6.471983      2.471060
  C      -5.861846      2.796071      7.023891
  C      -6.599234      4.132593      7.186780
  C      -8.118395      3.988535      7.174542
  C      -8.726538      3.567905      5.857625
  N      -7.940497      3.450453      4.792863
  C      -8.508341      3.071125      3.611138
  N      -9.775050      2.802560      3.390243
  C     -10.614711      2.923676      4.464819
  C     -11.993428      2.652450      4.294046
  C     -12.857235      2.763399      5.365098
  C     -12.380397      3.150741      6.639693
  C     -11.040983      3.421387      6.833480
  C     -10.128895      3.311998      5.753281
  H      -2.620835      0.764877      2.673334
  H      -3.962387      1.921159      2.704172
  H      -4.235934      0.243575      5.053116
  H      -3.940653     -0.836258      3.688270
  H      -6.365933     -0.465520      4.016608
  H      -6.144832      1.293224      3.940077
  H      -6.496524      2.549974     -0.292560
  H      -6.123305     -1.681935     -2.044679
  H      -5.773450     -3.953414     -1.067900
  H      -5.551838     -4.239999      1.394952
  H      -5.663160     -2.284450      2.896258
  H      -4.549142      6.158007      5.973439
  H      -3.163711      6.833008      6.835833
  H      -2.371796      7.839189      4.625668
  H      -3.903153      8.471050      5.249911
  H      -3.886422      8.016494      2.745021
  H      -3.642537      6.313364      3.079095
  H      -8.054312      7.642893      5.623436
  H      -9.585934      5.657723      1.777611
  H      -8.507954      4.853964     -0.326125
  H      -6.049085      5.094819     -0.642658
  H      -4.652252      6.120310      1.114902
  H      -6.073825      2.141319      7.887649
  H      -6.248340      2.282581      6.132133
  H      -6.290171      4.609937      8.129403
  H      -6.296906      4.805112      6.371135
  H      -8.442218      3.279468      7.955015
  H      -8.575213      4.953147      7.455383
  H      -7.815024      2.968053      2.769847
  H     -12.339135      2.356514      3.302542
  H     -13.919439      2.552046      5.232649
  H     -13.079648      3.235389      7.473509
  H     -10.686269      3.722903      7.819634
  N      -5.065892      3.844078      4.133305
  H      -5.024683      4.085443      3.138033
  H      -6.067406      3.758172      4.417244
98
Coordinates from ORCA-job orca E -6204.224777907097
  N      -2.624207      2.063427      4.319173
  Mo     -3.529100      3.530176      5.262382
  N      -4.405284      2.945208      6.897345
  C      -3.619569      2.821473      8.127504
  C      -2.234560      2.295761      7.776941
  N      -1.689522      3.069637      6.632797
  C      -0.727539      2.285495      5.819300
  C      -1.494692      1.348043      4.910436
  C      -1.100208      4.369387      7.052115
  C      -1.286450      5.347981      5.896426
  N      -2.695078      5.280031      5.504475
  H      -0.828511      0.971729      4.113883
  H      -1.853535      0.458758      5.464284
  H      -0.159987      2.999113      5.206541
  H      -0.013357      1.744744      6.463471
  H      -1.017884      6.368988      6.209516
  H      -0.630900      5.090694      5.048441
  H      -1.666618      4.732401      7.921322
  H      -0.045379      4.242965      7.351730
  H      -4.108102      2.116108      8.820081
  H      -3.549816      3.790449      8.655950
  H      -2.325364      1.248496      7.456446
  H      -1.547706      2.335436      8.639574
  C      -3.348176      1.248357      3.329055
  C      -4.278675      0.169866      3.942759
  C      -5.761297      0.349601      3.557291
  C      -5.989373      0.367105      2.069985
  N      -6.182094      1.555493      1.502167
  C      -6.336168      1.584128      0.149526
  N      -6.298188      0.568136     -0.686688
  C      -6.105785     -0.664153     -0.127983
  C      -6.054537     -1.803309     -0.967353
  C      -5.863321     -3.056577     -0.420335
  C      -5.727668     -3.220802      0.978227
  C      -5.773370     -2.127548      1.818476
  C      -5.953985     -0.825252      1.285873
  C      -3.505665      6.456008      5.850841
  C      -3.434778      7.579477      4.812618
  C      -4.095848      7.220589      3.483210
  C      -5.593198      7.036250      3.544467
  N      -6.230500      7.432371      4.638811
  C      -7.580992      7.264683      4.679461
  N      -8.354928      6.735037      3.756260
  C      -7.724726      6.318916      2.614184
  C      -8.492375      5.729000      1.580862
  C      -7.878800      5.293682      0.425176
  C      -6.482386      5.434294      0.256385
  C      -5.709362      6.006290      1.247310
  C      -6.310662      6.456972      2.449057
  C      -5.858478      2.789833      7.030666
  C      -6.601269      4.120914      7.203438
  C      -8.119146      3.968435      7.189569
  C      -8.725599      3.555024      5.870441
  N      -7.938762      3.442180      4.806449
  C      -8.505837      3.068852      3.622751
  N      -9.774049      2.804880      3.398974
  C     -10.614738      2.922589      4.472319
  C     -11.995257      2.658008      4.297851
  C     -12.859734      2.765395      5.367843
  C     -12.381665      3.141682      6.645150
  C     -11.040685      3.405952      6.842574
  C     -10.128226      3.301263      5.763260
  H      -2.595351      0.769456      2.678913
  H      -3.935425      1.924266      2.697906
  H      -4.209996      0.221640      5.039940
  H      -3.936434     -0.832343      3.653615
  H      -6.355598     -0.453589      4.022378
  H      -6.124039      1.305852      3.953398
  H      -6.505003      2.576152     -0.281316
  H      -6.172058     -1.655317     -2.041363
  H      -5.823872     -3.933352     -1.068409
  H      -5.592284     -4.218816      1.390668
  H      -5.678438     -2.265960      2.895406
  H      -4.554584      6.155294      5.972390
  H      -3.170890      6.836346      6.832928
  H      -2.382346      7.844788      4.629853
  H      -3.923180      8.464574      5.243621
  H      -3.885962      8.008246      2.739063
  H      -3.636084      6.305725      3.075443
  H      -8.068746      7.612133      5.597122
  H      -9.565935      5.625101      1.733964
  H      -8.472567      4.834657     -0.366531
  H      -6.016184      5.091239     -0.667785
  H      -4.634420      6.117141      1.102422
  H      -6.067033      2.129655      7.890281
  H      -6.244443      2.281249      6.137134
  H      -6.296043      4.591765      8.149703
  H      -6.301511      4.801597      6.394333
  H      -8.438547      3.252808      7.963841
  H      -8.581070      4.927439      7.477533
  H      -7.810811      2.968026      2.782163
  H     -12.342028      2.370495      3.304421
  H     -13.923736      2.560267      5.232033
  H     -13.081235      3.223357      7.478079
  H     -10.685060      3.699581      7.830631
  N      -5.062039      3.839682      4.135949
  H      -5.025711      4.073852      3.138102
  H      -6.061138      3.756639      4.422569
98
Coordinates from ORCA-job orca E -6204.224853722468
  N      -2.616348      2.065234      4.315565
  Mo     -3.531470      3.525641      5.261130
  N      -4.401506      2.934644      6.899552
  C      -3.611370      2.814834      8.126571
  C      -2.224779      2.294826      7.771139
  N      -1.686548      3.072829      6.626349
  C      -0.719463      2.295512      5.812506
  C      -1.480493      1.356328      4.900727
  C      -1.102961      4.374522      7.046633
  C      -1.298351      5.353188      5.894457
  N      -2.706337      5.278975      5.506000
  H      -0.811914      0.990233      4.100523
  H      -1.829326      0.459128      5.449617
  H      -0.154991      3.012675      5.201288
  H      -0.002752      1.758044      6.456553
  H      -1.035431      6.374876      6.208611
  H      -0.644453      5.101239      5.045182
  H      -1.666965      4.734296      7.917124
  H      -0.048872      4.252673      7.342275
  H      -4.093898      2.109582      8.822652
  H      -3.544819      3.783798      8.652893
  H      -2.312579      1.249013      7.449428
  H      -1.536020      2.335219      8.630448
  C      -3.333574      1.251430      3.320522
  C      -4.253891      0.160897      3.924762
  C      -5.739792      0.332759      3.544481
  C      -5.971813      0.341408      2.057208
  N      -6.166470      1.526266      1.482821
  C      -6.328782      1.546906      0.130058
  N      -6.298634      0.526801     -0.700312
  C      -6.100788     -0.703999     -0.134850
  C      -6.054874     -1.848920     -0.967843
  C      -5.862060     -3.098693     -0.414533
  C      -5.718012     -3.253597      0.984477
  C      -5.758943     -2.154588      1.818774
  C      -5.941451     -0.855950      1.279825
  C      -3.520102      6.448927      5.865091
  C      -3.459695      7.581690      4.836702
  C      -4.114257      7.229620      3.503204
  C      -5.611006      7.036227      3.557769
  N      -6.253885      7.413563      4.655676
  C      -7.602941      7.234591      4.690467
  N      -8.370591      6.710823      3.758208
  C      -7.734096      6.314755      2.612054
  C      -8.493236      5.730983      1.569204
  C      -7.872712      5.315393      0.408538
  C      -6.477912      5.472541      0.243835
  C      -5.712994      6.037973      1.244773
  C      -6.321054      6.467066      2.452208
  C      -5.853459      2.774152      7.036770
  C      -6.597925      4.105414      7.216590
  C      -8.117659      3.955377      7.200798
  C      -8.728919      3.558980      5.879032
  N      -7.943598      3.442909      4.814948
  C      -8.513163      3.081371      3.629443
  N      -9.784118      2.832743      3.403882
  C     -10.624476      2.958539      4.476118
  C     -12.007695      2.715234      4.298344
  C     -12.872783      2.834484      5.366360
  C     -12.392162      3.199578      6.645442
  C     -11.047924      3.440991      6.846595
  C     -10.134807      3.325491      5.768954
  H      -2.577277      0.784320      2.668398
  H      -3.925157      1.927806      2.693511
  H      -4.177952      0.199209      5.022067
  H      -3.906958     -0.836585      3.620054
  H      -6.326898     -0.473974      4.011396
  H      -6.106621      1.288604      3.941283
  H      -6.499259      2.535459     -0.305561
  H      -6.179294     -1.707426     -2.042441
  H      -5.827773     -3.979202     -1.057631
  H      -5.577358     -4.251294      1.402783
  H      -5.656807     -2.286895      2.896063
  H      -4.566565      6.143399      5.989043
  H      -3.182680      6.824227      6.847405
  H      -2.410307      7.861254      4.659404
  H      -3.961011      8.455724      5.275638
  H      -3.905825      8.025484      2.767558
  H      -3.646932      6.320649      3.088071
  H      -8.096256      7.564824      5.611644
  H      -9.565404      5.614969      1.718732
  H      -8.459624      4.860876     -0.391108
  H      -6.006063      5.144765     -0.684697
  H      -4.638741      6.160679      1.103201
  H      -6.059420      2.109569      7.894395
  H      -6.240080      2.268991      6.141344
  H      -6.295064      4.570495      8.166896
  H      -6.294685      4.792818      6.412661
  H      -8.439133      3.231205      7.967807
  H      -8.577291      4.912236      7.500124
  H      -7.818134      2.972871      2.790084
  H     -12.356367      2.436270      3.303637
  H     -13.939149      2.647831      5.227292
  H     -13.092329      3.291167      7.476900
  H     -10.690264      3.725966      7.836029
  N      -5.067034      3.834530      4.136571
  H      -5.033663      4.078148      3.141183
  H      -6.066194      3.753356      4.428110
98
Coordinates from ORCA-job orca E -6204.224947837948
  N      -2.602679      2.064347      4.327203
  Mo     -3.530734      3.519391      5.269296
  N      -4.397446      2.927109      6.909450
  C      -3.608769      2.815237      8.137613
  C      -2.218888      2.302082      7.784306
  N      -1.683961      3.081079      6.638476
  C      -0.710392      2.308368      5.828635
  C      -1.462083      1.364524      4.914433
  C      -1.109970      4.388230      7.054938
  C      -1.308830      5.361001      5.898582
  N      -2.715990      5.277467      5.508745
  H      -0.788477      1.005832      4.115635
  H      -1.803963      0.463487      5.461514
  H      -0.147536      3.027909      5.219991
  H       0.006190      1.774990      6.475036
  H      -1.052597      6.385553      6.209110
  H      -0.652112      5.109210      5.051644
  H      -1.678392      4.748014      7.922851
  H      -0.054843      4.274484      7.353165
  H      -4.088646      2.108994      8.835680
  H      -3.548071      3.786995      8.661175
  H      -2.300507      1.254956      7.463570
  H      -1.530945      2.347635      8.644262
  C      -3.304184      1.248698      3.323223
  C      -4.222447      0.147826      3.913109
  C      -5.712272      0.337045      3.556103
  C      -5.963538      0.360906      2.072207
  N      -6.159638      1.551608      1.510573
  C      -6.339153      1.584945      0.160473
  N      -6.324396      0.571955     -0.679113
  C      -6.126775     -0.663962     -0.127283
  C      -6.098561     -1.800689     -0.971343
  C      -5.906963     -3.055855     -0.432341
  C      -5.745076     -3.225332      0.963335
  C      -5.768067     -2.134810      1.808302
  C      -5.950404     -0.829923      1.283704
  C      -3.535853      6.445238      5.861115
  C      -3.479235      7.574061      4.827451
  C      -4.122251      7.207578      3.492975
  C      -5.617391      7.003051      3.537977
  N      -6.270775      7.373474      4.631495
  C      -7.618412      7.186180      4.654498
  N      -8.375547      6.661919      3.714420
  C      -7.728824      6.274418      2.572672
  C      -8.479307      5.694705      1.521260
  C      -7.847641      5.287221      0.364020
  C      -6.449938      5.448586      0.211373
  C      -5.694875      6.011624      1.221116
  C      -6.315007      6.433215      2.425079
  C      -5.848725      2.762206      7.046095
  C      -6.594832      4.091846      7.231504
  C      -8.115088      3.941959      7.217355
  C      -8.729784      3.554379      5.894097
  N      -7.945030      3.439207      4.829721
  C      -8.515883      3.084845      3.642614
  N      -9.787863      2.843151      3.415446
  C     -10.628065      2.970033      4.487792
  C     -12.012452      2.735691      4.307980
  C     -12.878068      2.858461      5.375271
  C     -12.396848      3.217374      6.656003
  C     -11.051247      3.448635      6.859438
  C     -10.137352      3.329716      5.782344
  H      -2.537474      0.788601      2.678577
  H      -3.892700      1.923295      2.689449
  H      -4.130454      0.155306      5.010508
  H      -3.884671     -0.843548      3.576586
  H      -6.298605     -0.468833      4.022610
  H      -6.065553      1.291839      3.967908
  H      -6.511741      2.578867     -0.263461
  H      -6.235720     -1.648657     -2.042805
  H      -5.885535     -3.930669     -1.084013
  H      -5.604653     -4.227758      1.370664
  H      -5.651699     -2.278717      2.883134
  H      -4.581686      6.135202      5.984773
  H      -3.200938      6.826154      6.842580
  H      -2.430425      7.863573      4.654429
  H      -3.991852      8.445709      5.259229
  H      -3.913157      8.000360      2.753232
  H      -3.646557      6.300459      3.086974
  H      -8.120623      7.509003      5.572241
  H      -9.554837      5.576877      1.661786
  H      -8.427892      4.836734     -0.442954
  H      -5.968617      5.127862     -0.715032
  H      -4.619630      6.139613      1.088010
  H      -6.051988      2.094019      7.901464
  H      -6.234325      2.259183      6.148767
  H      -6.291289      4.554566      8.183549
  H      -6.292435      4.782152      6.429627
  H      -8.436098      3.212932      7.980635
  H      -8.573316      4.897444      7.523995
  H      -7.821392      2.976803      2.803444
  H     -12.361372      2.461468      3.311951
  H     -13.945085      2.679249      5.234421
  H     -13.097595      3.312160      7.486897
  H     -10.693097      3.728320      7.850303
  N      -5.070693      3.812517      4.147324
  H      -5.042946      4.046869      3.150421
  H      -6.069411      3.732731      4.446873
98
Coordinates from ORCA-job orca E -6204.225046819274
  N      -2.580953      2.063686      4.337500
  Mo     -3.522209      3.512698      5.276674
  N      -4.384859      2.922327      6.919924
  C      -3.596008      2.821349      8.148651
  C      -2.203603      2.314623      7.798556
  N      -1.673201      3.093985      6.651104
  C      -0.692842      2.327296      5.844050
  C      -1.434158      1.377682      4.926750
  C      -1.109949      4.407336      7.061855
  C      -1.312657      5.370566      5.896996
  N      -2.720169      5.276658      5.507944
  H      -0.756786      1.029556      4.128449
  H      -1.764814      0.472470      5.471393
  H      -0.133268      3.051276      5.237072
  H       0.025586      1.798513      6.492539
  H      -1.061184      6.399154      6.198898
  H      -0.654041      5.115181      5.051772
  H      -1.683938      4.768384      7.926867
  H      -0.053220      4.303502      7.364352
  H      -4.072467      2.116196      8.850758
  H      -3.539609      3.796974      8.667306
  H      -2.279159      1.265630      7.479496
  H      -1.515701      2.366311      8.659420
  C      -3.260513      1.245029      3.321530
  C      -4.180786      0.135441      3.895082
  C      -5.674634      0.346258      3.568427
  C      -5.952104      0.377016      2.090313
  N      -6.140380      1.570735      1.532786
  C      -6.340835      1.608360      0.186438
  N      -6.353549      0.595283     -0.653754
  C      -6.167225     -0.643047     -0.106362
  C      -6.172713     -1.777203     -0.952257
  C      -5.992473     -3.036039     -0.418580
  C      -5.808969     -3.210828      0.973606
  C      -5.799729     -2.122372      1.820206
  C      -5.970376     -0.814079      1.300920
  C      -3.547554      6.436768      5.866717
  C      -3.506643      7.566912      4.834104
  C      -4.145747      7.192859      3.498376
  C      -5.639003      6.970936      3.539960
  N      -6.298539      7.316873      4.637645
  C      -7.644730      7.115085      4.653478
  N      -8.393707      6.597133      3.703451
  C      -7.740374      6.235286      2.557313
  C      -8.482686      5.667233      1.493643
  C      -7.845345      5.294732      0.329121
  C      -6.449182      5.478048      0.181812
  C      -5.701439      6.025621      1.205289
  C      -6.328136      6.412914      2.416104
  C      -5.835586      2.748466      7.054802
  C      -6.590387      4.073059      7.237108
  C      -8.109354      3.914523      7.217975
  C      -8.718155      3.535239      5.889711
  N      -7.926276      3.408508      4.831093
  C      -8.491989      3.058956      3.639998
  N      -9.765101      2.832256      3.403472
  C     -10.612389      2.973294      4.469054
  C     -11.998909      2.759015      4.278299
  C     -12.871390      2.897850      5.337929
  C     -12.395452      3.251914      6.622152
  C     -11.048408      3.463011      6.836507
  C     -10.127533      3.328811      5.767047
  H      -2.478299      0.787974      2.690547
  H      -3.839363      1.915226      2.673181
  H      -4.069162      0.105930      4.990619
  H      -3.858461     -0.848450      3.521371
  H      -6.260986     -0.454219      4.042646
  H      -6.005927      1.302741      3.992013
  H      -6.505522      2.605887     -0.232795
  H      -6.325859     -1.620807     -2.020751
  H      -5.996011     -3.909958     -1.071690
  H      -5.677815     -4.215796      1.377128
  H      -5.666569     -2.270584      2.892294
  H      -4.590438      6.119182      5.997286
  H      -3.208663      6.819208      6.846310
  H      -2.460540      7.872574      4.661614
  H      -4.033439      8.431090      5.268241
  H      -3.944245      7.988732      2.759694
  H      -3.660286      6.291780      3.090500
  H      -8.152970      7.418605      5.574257
  H      -9.556895      5.532628      1.630066
  H      -8.419844      4.855932     -0.488346
  H      -5.963375      5.187678     -0.751122
  H      -4.628435      6.171785      1.075974
  H      -6.034615      2.081237      7.912018
  H      -6.216732      2.239872      6.158621
  H      -6.294817      4.537864      8.190367
  H      -6.288674      4.765717      6.437606
  H      -8.427679      3.175845      7.973151
  H      -8.574244      4.863820      7.534178
  H      -7.792213      2.944133      2.805680
  H     -12.343212      2.487493      3.279725
  H     -13.939715      2.734884      5.188025
  H     -13.101322      3.359210      7.447091
  H     -10.694209      3.738032      7.830309
  N      -5.062237      3.788103      4.153416
  H      -5.044757      4.015487      3.153837
  H      -6.058429      3.699720      4.459564
98
Coordinates from ORCA-job orca E -6204.225134911953
  N      -2.548602      2.066662      4.349871
  Mo     -3.516695      3.499859      5.287325
  N      -4.375230      2.903307      6.931159
  C      -3.589378      2.815565      8.163101
  C      -2.190257      2.325479      7.819493
  N      -1.665962      3.109357      6.672374
  C      -0.671857      2.353412      5.872233
  C      -1.395270      1.396314      4.948044
  C      -1.122783      4.432306      7.080217
  C      -1.332655      5.387183      5.908655
  N      -2.737882      5.274058      5.514546
  H      -0.707512      1.060486      4.153442
  H      -1.717493      0.485347      5.489592
  H      -0.115593      3.084580      5.270310
  H       0.047003      1.831134      6.526395
  H      -1.093548      6.420868      6.203832
  H      -0.668697      5.133731      5.066707
  H      -1.706663      4.788970      7.940479
  H      -0.065941      4.344797      7.389003
  H      -4.060213      2.107740      8.866592
  H      -3.546062      3.794301      8.678106
  H      -2.250916      1.274999      7.501296
  H      -1.506282      2.387615      8.683126
  C      -3.193485      1.247000      3.312489
  C      -4.117069      0.125471      3.854171
  C      -5.614617      0.363650      3.563438
  C      -5.923363      0.403192      2.092939
  N      -6.098337      1.600379      1.540482
  C      -6.327324      1.644616      0.198536
  N      -6.379471      0.634121     -0.642868
  C      -6.206514     -0.609218     -0.100381
  C      -6.252520     -1.742077     -0.948367
  C      -6.088953     -3.004997     -0.420934
  C      -5.880635     -3.186270      0.967324
  C      -5.829928     -2.100382      1.815881
  C      -5.984176     -0.787155      1.302529
  C      -3.583369      6.421557      5.870190
  C      -3.557335      7.552627      4.838589
  C      -4.173231      7.164505      3.498167
  C      -5.661977      6.919054      3.524152
  N      -6.335469      7.241315      4.619989
  C      -7.679526      7.022563      4.619427
  N      -8.413881      6.511628      3.653705
  C      -7.745703      6.173041      2.509186
  C      -8.471762      5.613647      1.428835
  C      -7.818985      5.270507      0.263866
  C      -6.422918      5.472817      0.133400
  C      -5.690235      6.008260      1.175085
  C      -6.333488      6.367590      2.385831
  C      -5.826289      2.725169      7.064698
  C      -6.582311      4.047453      7.254877
  C      -8.100890      3.888490      7.240447
  C      -8.712691      3.525987      5.909567
  N      -7.919392      3.388096      4.853055
  C      -8.486788      3.051407      3.659602
  N      -9.762441      2.847888      3.418342
  C     -10.611118      3.002265      4.481576
  C     -12.000608      2.813705      4.285912
  C     -12.873836      2.965319      5.342921
  C     -12.396140      3.306146      6.629819
  C     -11.046677      3.491892      6.849143
  C     -10.124963      3.344923      5.782126
  H      -2.388774      0.799275      2.702973
  H      -3.758247      1.913823      2.648912
  H      -3.984585      0.045164      4.944591
  H      -3.813582     -0.844039      3.430230
  H      -6.202087     -0.431157      4.047922
  H      -5.919536      1.324632      3.998178
  H      -6.480711      2.646092     -0.215113
  H      -6.424271     -1.580273     -2.013245
  H      -6.124929     -3.876913     -1.075815
  H      -5.762221     -4.194813      1.366786
  H      -5.677252     -2.254171      2.884893
  H      -4.620618      6.088053      5.994481
  H      -3.255832      6.806966      6.851340
  H      -2.519829      7.883528      4.677547
  H      -4.109043      8.402494      5.265043
  H      -3.976577      7.961332      2.759619
  H      -3.670773      6.269868      3.098698
  H      -8.200101      7.307847      5.539217
  H      -9.545392      5.462476      1.552970
  H      -8.380947      4.840555     -0.567595
  H      -5.924221      5.206435     -0.800056
  H      -4.616812      6.168314      1.059058
  H      -6.024056      2.053687      7.918694
  H      -6.205855      2.220319      6.166875
  H      -6.285026      4.509001      8.209012
  H      -6.283178      4.744167      6.457617
  H      -8.415615      3.137627      7.985784
  H      -8.565521      4.831731      7.573830
  H      -7.784522      2.925832      2.827530
  H     -12.345908      2.551403      3.285420
  H     -13.944137      2.822317      5.188934
  H     -13.102507      3.423444      7.452730
  H     -10.690906      3.755787      7.845198
  N      -5.058441      3.755145      4.161457
  H      -5.043292      3.966366      3.158575
  H      -6.051264      3.673204      4.475531
98
Coordinates from ORCA-job orca E -6204.225225953946
  N      -2.532909      2.073690      4.351558
  Mo     -3.513933      3.497331      5.290241
  N      -4.369444      2.894873      6.933814
  C      -3.582901      2.813112      8.165396
  C      -2.179708      2.333438      7.822373
  N      -1.659457      3.120215      6.675717
  C      -0.659194      2.371146      5.876379
  C      -1.375161      1.410196      4.950780
  C      -1.125976      4.447446      7.083799
  C      -1.344106      5.401033      5.914011
  N      -2.747762      5.277223      5.521225
  H      -0.684698      1.079770      4.155732
  H      -1.691946      0.496323      5.490447
  H      -0.106526      3.105877      5.276050
  H       0.061644      1.853100      6.531657
  H      -1.111537      6.436912      6.206729
  H      -0.680990      5.151069      5.070824
  H      -1.712008      4.799168      7.943475
  H      -0.069544      4.367218      7.392021
  H      -4.048281      2.101850      8.868894
  H      -3.548697      3.791651      8.680349
  H      -2.231905      1.283115      7.504159
  H      -1.498066      2.400552      8.686824
  C      -3.160230      1.254862      3.301124
  C      -4.077798      0.121242      3.824139
  C      -5.579514      0.362169      3.554101
  C      -5.908447      0.399934      2.088118
  N      -6.082317      1.597587      1.533359
  C      -6.330048      1.639470      0.194553
  N      -6.401849      0.626102     -0.642692
  C      -6.233029     -0.615887     -0.097612
  C      -6.300692     -1.751562     -0.941120
  C      -6.140225     -3.014686     -0.411562
  C      -5.915668     -3.192575      0.974733
  C      -5.844802     -2.103013      1.818660
  C      -5.993417     -0.790622      1.302617
  C      -3.603512      6.415501      5.884780
  C      -3.584887      7.551833      4.859042
  C      -4.191208      7.161797      3.513451
  C      -5.679139      6.906192      3.527711
  N      -6.363067      7.210356      4.622032
  C      -7.705437      6.979996      4.609527
  N      -8.428051      6.474926      3.632988
  C      -7.748074      6.153600      2.490304
  C      -8.458759      5.597614      1.398980
  C      -7.791855      5.271230      0.236205
  C      -6.397298      5.486571      0.119460
  C      -5.679946      6.018185      1.171986
  C      -6.337411      6.360666      2.380050
  C      -5.818655      2.709650      7.070306
  C      -6.579207      4.029166      7.262742
  C      -8.097190      3.867615      7.250653
  C      -8.710268      3.513237      5.917452
  N      -7.916098      3.363940      4.863599
  C      -8.485350      3.036145      3.668356
  N      -9.763296      2.854074      3.421419
  C     -10.612358      3.020114      4.482035
  C     -12.004731      2.853863      4.281560
  C     -12.878925      3.016297      5.336153
  C     -12.399607      3.346691      6.625717
  C     -11.047508      3.511474      6.849625
  C     -10.124868      3.353012      5.785032
  H      -2.344301      0.820887      2.697996
  H      -3.725721      1.919670      2.635840
  H      -3.933556      0.016125      4.910226
  H      -3.778381     -0.836650      3.374429
  H      -6.162139     -0.430408      4.050434
  H      -5.876100      1.326017      3.987849
  H      -6.480249      2.640249     -0.220282
  H      -6.484906     -1.592221     -2.004205
  H      -6.192897     -3.888109     -1.063230
  H      -5.801260     -4.200287      1.376558
  H      -5.679744     -2.253932      2.886264
  H      -4.639001      6.073933      6.004251
  H      -3.281358      6.797820      6.869364
  H      -2.549279      7.893597      4.703050
  H      -4.147341      8.395873      5.287289
  H      -3.994979      7.960180      2.776869
  H      -3.678891      6.269614      3.116580
  H      -8.234693      7.249134      5.528703
  H      -9.531433      5.434267      1.513446
  H      -8.341140      4.843703     -0.603732
  H      -5.886846      5.232066     -0.811025
  H      -4.606621      6.186147      1.067777
  H      -6.012775      2.036586      7.923982
  H      -6.198707      2.204706      6.172465
  H      -6.279185      4.491623      8.215990
  H      -6.285014      4.726228      6.463780
  H      -8.407839      3.108221      7.990186
  H      -8.563153      4.806374      7.594699
  H      -7.782679      2.902444      2.838507
  H     -12.351573      2.599448      3.279222
  H     -13.951597      2.890204      5.178506
  H     -13.106931      3.472906      7.446718
  H     -10.690292      3.767540      7.847552
  N      -5.057929      3.745470      4.166460
  H      -5.048321      3.944737      3.161194
  H      -6.048794      3.662527      4.485715
98
Coordinates from ORCA-job orca E -6204.225288683316
  N      -2.539758      2.082698      4.343603
  Mo     -3.517717      3.502909      5.286127
  N      -4.372334      2.891550      6.924866
  C      -3.584672      2.802033      8.155487
  C      -2.180160      2.329235      7.810385
  N      -1.660892      3.122346      6.668939
  C      -0.661587      2.378154      5.864316
  C      -1.377736      1.418916      4.938229
  C      -1.128627      4.447320      7.084638
  C      -1.348571      5.406848      5.920902
  N      -2.751605      5.282908      5.527015
  H      -0.687773      1.090527      4.139583
  H      -1.691793      0.502882      5.476685
  H      -0.110413      3.114546      5.266011
  H       0.060544      1.857349      6.515083
  H      -1.116433      6.441507      6.217431
  H      -0.685701      5.160583      5.076126
  H      -1.714594      4.793390      7.946812
  H      -0.072168      4.367257      7.391046
  H      -4.047476      2.083087      8.852785
  H      -3.554429      3.776306      8.678547
  H      -2.229449      1.280352      7.487506
  H      -1.501447      2.393733      8.677319
  C      -3.169119      1.264976      3.292059
  C      -4.063611      0.112321      3.812262
  C      -5.570564      0.331516      3.553905
  C      -5.906717      0.363953      2.089744
  N      -6.091348      1.559030      1.535565
  C      -6.346101      1.597293      0.198328
  N      -6.415136      0.583271     -0.638387
  C      -6.232723     -0.657906     -0.093383
  C      -6.294435     -1.796131     -0.935050
  C      -6.120430     -3.057685     -0.404458
  C      -5.887660     -3.231688      0.980885
  C      -5.821727     -2.139632      1.823075
  C      -5.984533     -0.828355      1.306014
  C      -3.610850      6.417091      5.894293
  C      -3.588426      7.558949      4.874469
  C      -4.187025      7.175484      3.524706
  C      -5.674133      6.920642      3.532981
  N      -6.359608      7.216099      4.629380
  C      -7.702226      6.987752      4.614127
  N      -8.424855      6.493639      3.631744
  C      -7.743652      6.180090      2.486460
  C      -8.453659      5.633630      1.388910
  C      -7.785720      5.315361      0.223733
  C      -6.391474      5.527676      0.111597
  C      -5.674221      6.050761      1.169907
  C      -6.332436      6.385472      2.380228
  C      -5.820759      2.704466      7.063292
  C      -6.582216      4.022309      7.265436
  C      -8.100111      3.859528      7.258111
  C      -8.715032      3.516323      5.922638
  N      -7.921668      3.361380      4.869560
  C      -8.493244      3.040860      3.673413
  N      -9.772157      2.872929      3.423748
  C     -10.619877      3.041822      4.483979
  C     -12.012727      2.884338      4.282788
  C     -12.885236      3.043252      5.339194
  C     -12.403308      3.363151      6.630582
  C     -11.050495      3.521671      6.854699
  C     -10.129885      3.365729      5.788796
  H      -2.354639      0.852997      2.673191
  H      -3.755976      1.925641      2.643392
  H      -3.913425      0.003294      4.896736
  H      -3.750878     -0.834752      3.354801
  H      -6.139360     -0.464938      4.057049
  H      -5.880874      1.292534      3.985303
  H      -6.506282      2.596157     -0.217149
  H      -6.485927     -1.639305     -1.997656
  H      -6.169887     -3.931853     -1.054877
  H      -5.764370     -4.236980      1.383717
  H      -5.651554     -2.286667      2.890197
  H      -4.646957      6.071962      6.005611
  H      -3.295756      6.795011      6.883379
  H      -2.554103      7.902333      4.722348
  H      -4.151374      8.399758      5.303283
  H      -3.987518      7.974135      2.789778
  H      -3.673140      6.283776      3.131118
  H      -8.231239      7.248580      5.536620
  H      -9.526431      5.470381      1.500168
  H      -8.334578      4.894968     -0.621062
  H      -5.880823      5.277777     -0.819863
  H      -4.600721      6.215632      1.070285
  H      -6.014973      2.026189      7.913009
  H      -6.203752      2.206081      6.163069
  H      -6.274796      4.480351      8.217702
  H      -6.294329      4.721354      6.466321
  H      -8.405597      3.090438      7.989214
  H      -8.566192      4.792834      7.614704
  H      -7.791949      2.904276      2.843434
  H     -12.361856      2.637334      3.279282
  H     -13.958520      2.921619      5.181983
  H     -13.109393      3.485684      7.452920
  H     -10.690901      3.769499      7.853862
  N      -5.066219      3.755847      4.169025
  H      -5.058458      3.962821      3.164942
  H      -6.056826      3.667189      4.486858
98
Coordinates from ORCA-job orca E -6204.225346608534
  N      -2.527561      2.086360      4.345514
  Mo     -3.517182      3.497897      5.289783
  N      -4.371889      2.878841      6.925232
  C      -3.587365      2.792528      8.158205
  C      -2.178005      2.329444      7.817444
  N      -1.660747      3.125960      6.677819
  C      -0.656515      2.388229      5.872638
  C      -1.367628      1.425563      4.944374
  C      -1.137357      4.453454      7.096291
  C      -1.358721      5.413681      5.933356
  N      -2.759037      5.281687      5.534029
  H      -0.674990      1.097320      4.149439
  H      -1.683185      0.509621      5.481626
  H      -0.108601      3.128988      5.274858
  H       0.068553      1.869873      6.523696
  H      -1.134095      6.449125      6.232959
  H      -0.691682      5.173112      5.090431
  H      -1.727891      4.795050      7.956970
  H      -0.081442      4.378645      7.405650
  H      -4.047310      2.069342      8.851765
  H      -3.566276      3.765907      8.682296
  H      -2.217713      1.279715      7.495663
  H      -1.503005      2.400054      8.687159
  C      -3.147082      1.268858      3.287440
  C      -4.037657      0.108822      3.798940
  C      -5.546121      0.333070      3.554386
  C      -5.894560      0.372769      2.093868
  N      -6.079395      1.571305      1.546809
  C      -6.347161      1.616671      0.212808
  N      -6.428074      0.607608     -0.627307
  C      -6.243934     -0.637932     -0.089549
  C      -6.317607     -1.771759     -0.934955
  C      -6.144316     -3.036060     -0.411227
  C      -5.902170     -3.217072      0.970839
  C      -5.824005     -2.129431      1.816206
  C      -5.983300     -0.816547      1.306026
  C      -3.626085      6.412871      5.892304
  C      -3.600558      7.553749      4.871197
  C      -4.193351      7.165804      3.518046
  C      -5.680960      6.906973      3.518167
  N      -6.374425      7.198558      4.610966
  C      -7.715726      6.964229      4.587609
  N      -8.429981      6.468170      3.600497
  C      -7.740551      6.157198      2.459152
  C      -8.440269      5.607208      1.357144
  C      -7.763163      5.291329      0.196736
  C      -6.369848      5.508768      0.093496
  C      -5.662445      6.035224      1.156325
  C      -6.330053      6.368352      2.361538
  C      -5.820131      2.693524      7.063819
  C      -6.579887      4.012570      7.267910
  C      -8.098097      3.851983      7.266629
  C      -8.719032      3.516666      5.932153
  N      -7.929371      3.361301      4.876438
  C      -8.506336      3.048250      3.681218
  N      -9.786835      2.889177      3.435306
  C     -10.630761      3.058340      4.498803
  C     -12.025119      2.908922      4.301820
  C     -12.893818      3.066161      5.361973
  C     -12.406237      3.377161      6.652795
  C     -11.051766      3.529049      6.872481
  C     -10.135139      3.373917      5.802740
  H      -2.325830      0.864763      2.672345
  H      -3.734997      1.927723      2.637521
  H      -3.878462     -0.016311      4.880875
  H      -3.727689     -0.833061      3.324972
  H      -6.113822     -0.462904      4.059447
  H      -5.850439      1.294118      3.990582
  H      -6.508218      2.617810     -0.197075
  H      -6.516918     -1.609413     -1.994855
  H      -6.200678     -3.908234     -1.064639
  H      -5.777697     -4.226285      1.368721
  H      -5.645706     -2.282074      2.880891
  H      -4.661468      6.062741      5.994935
  H      -3.320596      6.793007      6.883827
  H      -2.563877      7.896597      4.722367
  H      -4.165150      8.396883      5.296952
  H      -3.991475      7.962755      2.781906
  H      -3.675350      6.272938      3.128932
  H      -8.251304      7.222099      5.507689
  H      -9.511782      5.438483      1.461239
  H      -8.304131      4.868149     -0.651442
  H      -5.851968      5.259820     -0.834504
  H      -4.589359      6.203391      1.064524
  H      -6.014398      2.014381      7.913205
  H      -6.203379      2.196319      6.162841
  H      -6.267299      4.470717      8.218493
  H      -6.295007      4.710551      6.466128
  H      -8.402084      3.079620      7.995045
  H      -8.561004      4.784132      7.629829
  H      -7.807771      2.909737      2.848371
  H     -12.378640      2.668699      3.298780
  H     -13.968297      2.949847      5.208420
  H     -13.109368      3.498061      7.478135
  H     -10.687770      3.770563      7.871125
  N      -5.061962      3.741973      4.167508
  H      -5.050836      3.938649      3.160745
  H      -6.053765      3.657368      4.478890
98
Coordinates from ORCA-job orca E -6204.225403352430
  N      -2.513499      2.088518      4.349671
  Mo     -3.512834      3.493512      5.291746
  N      -4.365507      2.867892      6.926174
  C      -3.583981      2.786929      8.161206
  C      -2.170755      2.334077      7.823257
  N      -1.656735      3.132664      6.683842
  C      -0.647847      2.400959      5.880815
  C      -1.351916      1.434369      4.952203
  C      -1.141808      4.463379      7.101280
  C      -1.365657      5.420950      5.936482
  N      -2.764642      5.281449      5.535186
  H      -0.654446      1.109062      4.160092
  H      -1.663800      0.517541      5.489618
  H      -0.102252      3.144288      5.284287
  H       0.078655      1.886166      6.532195
  H      -1.146835      6.457546      6.236238
  H      -0.695742      5.182876      5.095041
  H      -1.735620      4.802940      7.960827
  H      -0.085570      4.394467      7.412897
  H      -4.040148      2.059753      8.852842
  H      -3.571257      3.759995      8.685604
  H      -2.202128      1.283582      7.503384
  H      -1.497553      2.411171      8.693483
  C      -3.118975      1.269741      3.285578
  C      -4.003052      0.100006      3.787397
  C      -5.513115      0.328916      3.563613
  C      -5.878743      0.377531      2.107343
  N      -6.061789      1.580619      1.566422
  C      -6.343534      1.632290      0.235252
  N      -6.439502      0.625222     -0.606904
  C      -6.262812     -0.621533     -0.075560
  C      -6.356331     -1.750956     -0.923531
  C      -6.187213     -3.018646     -0.405530
  C      -5.930286     -3.206772      0.972989
  C      -5.833331     -2.122695      1.820590
  C      -5.987462     -0.807174      1.316299
  C      -3.638577      6.407308      5.892245
  C      -3.616943      7.550108      4.873099
  C      -4.203828      7.158987      3.518574
  C      -5.690436      6.894596      3.514968
  N      -6.387160      7.180357      4.607047
  C      -7.727464      6.942018      4.579583
  N      -8.438264      6.447230      3.589394
  C      -7.746069      6.142558      2.448884
  C      -8.443193      5.596156      1.343442
  C      -7.763022      5.285951      0.183865
  C      -6.369029      5.505724      0.084260
  C      -5.664495      6.029559      1.150371
  C      -6.335489      6.357478      2.354902
  C      -5.814188      2.679628      7.063679
  C      -6.576938      3.997358      7.264350
  C      -8.095151      3.833152      7.262572
  C      -8.717662      3.504735      5.926664
  N      -7.929049      3.344356      4.871032
  C      -8.508780      3.037679      3.675004
  N      -9.790012      2.889456      3.428787
  C     -10.632913      3.065971      4.492072
  C     -12.028241      2.931670      4.293589
  C     -12.896349      3.097665      5.353301
  C     -12.406950      3.402723      6.644865
  C     -11.051282      3.540390      6.865717
  C     -10.135159      3.376010      5.796376
  H      -2.290559      0.874433      2.673715
  H      -3.709975      1.925408      2.632245
  H      -3.830703     -0.047053      4.865072
  H      -3.698144     -0.833205      3.291198
  H      -6.076291     -0.468136      4.071405
  H      -5.809644      1.287229      4.010588
  H      -6.500887      2.636340     -0.170168
  H      -6.565234     -1.583874     -1.980570
  H      -6.257659     -3.888676     -1.060683
  H      -5.810698     -4.217524      1.365909
  H      -5.642369     -2.281076      2.882580
  H      -4.671874      6.051699      5.991052
  H      -3.337705      6.786313      6.885336
  H      -2.582189      7.898600      4.728278
  H      -4.186770      8.389855      5.297297
  H      -4.002265      7.955886      2.781967
  H      -3.682290      6.267314      3.131940
  H      -8.265468      7.195013      5.499310
  H      -9.515194      5.425931      1.443981
  H      -8.302168      4.865405     -0.666757
  H      -5.848881      5.261103     -0.843703
  H      -4.591054      6.200077      1.061161
  H      -6.006276      2.001699      7.914680
  H      -6.195070      2.179176      6.163317
  H      -6.265899      4.458366      8.214560
  H      -6.293292      4.694592      6.461069
  H      -8.398614      3.055905      7.987124
  H      -8.559042      4.762742      7.631561
  H      -7.811777      2.894646      2.841862
  H     -12.383077      2.695892      3.289824
  H     -13.971617      2.993248      5.198828
  H     -13.109714      3.530478      7.469762
  H     -10.686079      3.777589      7.865061
  N      -5.057389      3.724055      4.165512
  H      -5.043007      3.916203      3.158916
  H      -6.049927      3.634657      4.477267
98
Coordinates from ORCA-job orca E -6204.225459414486
  N      -2.505731      2.094883      4.350164
  Mo     -3.510530      3.494748      5.292942
  N      -4.361188      2.858019      6.924305
  C      -3.581255      2.777161      8.160776
  C      -2.164591      2.335071      7.823150
  N      -1.654936      3.140595      6.686455
  C      -0.642530      2.417071      5.881884
  C      -1.340877      1.447354      4.952559
  C      -1.147236      4.472595      7.107646
  C      -1.374858      5.432858      5.945499
  N      -2.772343      5.286465      5.541379
  H      -0.640413      1.127293      4.161388
  H      -1.646126      0.528462      5.489486
  H      -0.101701      3.163978      5.286066
  H       0.087675      1.905811      6.531113
  H      -1.162954      6.469180      6.251226
  H      -0.701573      5.202780      5.104730
  H      -1.742146      4.807115      7.968556
  H      -0.090239      4.407789      7.419293
  H      -4.033672      2.042611      8.847572
  H      -3.575925      3.748136      8.689853
  H      -2.188526      1.284651      7.501304
  H      -1.492405      2.415101      8.694076
  C      -3.099925      1.276532      3.280722
  C      -3.965800      0.089559      3.772766
  C      -5.480496      0.310043      3.575587
  C      -5.867469      0.371515      2.124352
  N      -6.050622      1.577521      1.593636
  C      -6.349885      1.639143      0.266182
  N      -6.461728      0.638567     -0.580746
  C      -6.282222     -0.613352     -0.059756
  C      -6.389238     -1.739132     -0.912773
  C      -6.221688     -3.008488     -0.404262
  C      -5.946087     -3.206602      0.969510
  C      -5.831642     -2.128739      1.821788
  C      -5.990061     -0.807665      1.327146
  C      -3.652723      6.407503      5.896480
  C      -3.632413      7.550944      4.877563
  C      -4.211745      7.156464      3.520325
  C      -5.697236      6.887169      3.509798
  N      -6.398992      7.168445      4.599290
  C      -7.737894      6.925506      4.566365
  N      -8.443291      6.430382      3.573135
  C      -7.746215      6.130685      2.435273
  C      -8.438785      5.585447      1.326885
  C      -7.753473      5.276090      0.170258
  C      -6.358553      5.496693      0.076304
  C      -5.659222      6.021997      1.144774
  C      -6.335700      6.349228      2.346575
  C      -5.810030      2.665824      7.062134
  C      -6.576109      3.980509      7.265296
  C      -8.093916      3.811040      7.262961
  C      -8.718076      3.494522      5.924611
  N      -7.930628      3.330480      4.868488
  C      -8.514346      3.035180      3.670805
  N      -9.797356      2.902146      3.423917
  C     -10.638618      3.084022      4.487642
  C     -12.035271      2.968090      4.287427
  C     -12.901679      3.138623      5.347701
  C     -12.409055      3.431046      6.641225
  C     -11.051928      3.552250      6.863331
  C     -10.137322      3.382316      5.793436
  H      -2.266419      0.898948      2.663595
  H      -3.703945      1.927565      2.633399
  H      -3.775325     -0.080907      4.844171
  H      -3.660837     -0.830099      3.251147
  H      -6.031003     -0.496374      4.084121
  H      -5.777795      1.260464      4.038388
  H      -6.508078      2.646372     -0.131487
  H      -6.610306     -1.565593     -1.966114
  H      -6.305535     -3.873737     -1.063062
  H      -5.826136     -4.219948      1.354590
  H      -5.624944     -2.294969      2.879899
  H      -4.685070      6.047189      5.991662
  H      -3.356415      6.787062      6.891070
  H      -2.598058      7.903822      4.737321
  H      -4.207337      8.388459      5.299932
  H      -4.008519      7.952562      2.783235
  H      -3.686091      6.265635      3.137895
  H      -8.279889      7.173573      5.484140
  H      -9.512265      5.415576      1.422398
  H      -8.289496      4.855872     -0.682328
  H      -5.834740      5.251951     -0.849504
  H      -4.585305      6.193866      1.059574
  H      -5.998119      1.986592      7.912511
  H      -6.190322      2.165468      6.161749
  H      -6.266438      4.440546      8.216445
  H      -6.294795      4.680125      6.463545
  H      -8.395763      3.026067      7.979869
  H      -8.559655      4.735900      7.641635
  H      -7.819442      2.888755      2.837035
  H     -12.392633      2.741807      3.282087
  H     -13.977986      3.048189      5.192240
  H     -13.110603      3.562254      7.466477
  H     -10.684388      3.780148      7.864274
  N      -5.053388      3.715378      4.163708
  H      -5.039015      3.900089      3.155354
  H      -6.045891      3.619925      4.472921
98
Coordinates from ORCA-job orca E -6204.225503817234
  N      -2.493883      2.108481      4.350647
  Mo     -3.509753      3.496919      5.297104
  N      -4.358960      2.837531      6.920311
  C      -3.581157      2.755628      8.158908
  C      -2.158496      2.332530      7.822699
  N      -1.656365      3.152904      6.692745
  C      -0.635827      2.445550      5.885139
  C      -1.323260      1.471699      4.951489
  C      -1.162067      4.486130      7.125016
  C      -1.396131      5.453741      5.969424
  N      -2.790043      5.295244      5.556931
  H      -0.618778      1.162584      4.160732
  H      -1.616916      0.547813      5.485451
  H      -0.104509      3.200575      5.290963
  H       0.101399      1.940357      6.531336
  H      -1.197695      6.489063      6.287315
  H      -0.715076      5.240170      5.130740
  H      -1.759713      4.809465      7.988338
  H      -0.104710      4.428539      7.437302
  H      -4.027444      2.008941      8.837286
  H      -3.588534      3.722373      8.696012
  H      -2.169727      1.283374      7.495016
  H      -1.489181      2.415271      8.696001
  C      -3.071068      1.291843      3.271304
  C      -3.903833      0.075311      3.744619
  C      -5.425342      0.275080      3.585938
  C      -5.840610      0.352725      2.142949
  N      -6.029569      1.566639      1.628320
  C      -6.353509      1.640795      0.307714
  N      -6.488744      0.648548     -0.546615
  C      -6.305992     -0.609214     -0.042601
  C      -6.442814     -1.723045     -0.903627
  C      -6.268446     -3.000484     -0.410723
  C      -5.963132     -3.212913      0.954748
  C      -5.824487     -2.142616      1.814377
  C      -5.983278     -0.818553      1.336020
  C      -3.682169      6.409167      5.902297
  C      -3.660223      7.550638      4.880917
  C      -4.220598      7.148369      3.519027
  C      -5.703445      6.869859      3.494554
  N      -6.415414      7.148170      4.578397
  C      -7.753410      6.901225      4.535093
  N      -8.449927      6.405804      3.535486
  C      -7.742197      6.109215      2.403010
  C      -8.425893      5.565467      1.288337
  C      -7.731850      5.257637      0.136833
  C      -6.336033      5.478492      0.054726
  C      -5.645082      6.004340      1.128833
  C      -6.330675      6.330381      2.325754
  C      -5.807853      2.641295      7.059039
  C      -6.574507      3.953287      7.275198
  C      -8.092605      3.781863      7.275846
  C      -8.721307      3.489583      5.934150
  N      -7.936747      3.322545      4.876025
  C      -8.526558      3.047975      3.675986
  N      -9.811742      2.939166      3.428961
  C     -10.649484      3.125052      4.494637
  C     -12.047322      3.035931      4.293498
  C     -12.910032      3.208613      5.356391
  C     -12.411940      3.477050      6.653139
  C     -11.053183      3.573549      6.875806
  C     -10.142274      3.401226      5.803236
  H      -2.229787      0.946417      2.645230
  H      -3.697083      1.934858      2.637355
  H      -3.684281     -0.128629      4.804666
  H      -3.596561     -0.820959      3.184190
  H      -5.953608     -0.547561      4.090775
  H      -5.728945      1.212550      4.072177
  H      -6.513652      2.652299     -0.076659
  H      -6.688148     -1.536742     -1.950643
  H      -6.372931     -3.858775     -1.075324
  H      -5.840437     -4.231077      1.327219
  H      -5.595755     -2.318398      2.865497
  H      -4.712864      6.040438      5.988001
  H      -3.398762      6.793288      6.898777
  H      -2.627749      7.912206      4.750547
  H      -4.246242      8.382591      5.295585
  H      -4.013195      7.941665      2.780453
  H      -3.686222      6.259875      3.147964
  H      -8.304035      7.145401      5.448838
  H      -9.500951      5.396221      1.374073
  H      -8.262114      4.838863     -0.720525
  H      -5.806478      5.233683     -0.866964
  H      -4.571034      6.177877      1.052249
  H      -5.992907      1.955406      7.904295
  H      -6.189851      2.148618      6.155653
  H      -6.262038      4.406040      8.228459
  H      -6.296581      4.659470      6.478272
  H      -8.392598      2.983712      7.978935
  H      -8.557755      4.699668      7.672694
  H      -7.835533      2.898415      2.840585
  H     -12.409085      2.827640      3.285703
  H     -13.987506      3.139025      5.200594
  H     -13.110778      3.609606      7.480351
  H     -10.681475      3.783689      7.879239
  N      -5.052405      3.703676      4.164483
  H      -5.039498      3.870755      3.152872
  H      -6.044501      3.603061      4.471347
98
Coordinates from ORCA-job orca E -6204.225551350934
  N      -2.486160      2.110452      4.350640
  Mo     -3.505235      3.497043      5.296903
  N      -4.356223      2.835200      6.918100
  C      -3.579792      2.757101      8.157161
  C      -2.156034      2.335332      7.823551
  N      -1.653515      3.155710      6.693866
  C      -0.630157      2.449898      5.887701
  C      -1.314760      1.475287      4.952418
  C      -1.160736      4.489265      7.126890
  C      -1.395385      5.456529      5.971517
  N      -2.788394      5.296419      5.557633
  H      -0.608699      1.167059      4.161899
  H      -1.607909      0.550607      5.486706
  H      -0.100188      3.206470      5.293591
  H       0.107665      1.946521      6.535293
  H      -1.198485      6.492161      6.289350
  H      -0.713009      5.243818      5.133582
  H      -1.758850      4.812170      7.990091
  H      -0.103778      4.432916      7.439344
  H      -4.026307      2.012260      8.836921
  H      -3.589007      3.724759      8.691396
  H      -2.165477      1.286367      7.496611
  H      -1.487995      2.419350      8.697378
  C      -3.062022      1.293910      3.270072
  C      -3.893032      0.075203      3.743466
  C      -5.415939      0.273819      3.591429
  C      -5.835511      0.355051      2.149958
  N      -6.014517      1.569361      1.635000
  C      -6.343228      1.646462      0.315696
  N      -6.492153      0.655452     -0.537207
  C      -6.317817     -0.603663     -0.033132
  C      -6.465450     -1.718686     -0.893092
  C      -6.300724     -2.996438     -0.400770
  C      -5.989871     -3.210743      0.963066
  C      -5.836574     -2.142486      1.821748
  C      -5.990380     -0.815161      1.344131
  C      -3.681817      6.409525      5.901942
  C      -3.660112      7.550235      4.880430
  C      -4.222024      7.147507      3.519273
  C      -5.706026      6.871924      3.496517
  N      -6.416988      7.153321      4.580931
  C      -7.756183      6.910053      4.538385
  N      -8.454661      6.415425      3.538764
  C      -7.747215      6.115664      2.405978
  C      -8.431437      5.572064      1.291548
  C      -7.738303      5.263021      0.140034
  C      -6.342515      5.481506      0.058064
  C      -5.650382      6.005711      1.131957
  C      -6.335039      6.333196      2.328547
  C      -5.804897      2.636672      7.055013
  C      -6.574729      3.947060      7.271797
  C      -8.092591      3.772663      7.270644
  C      -8.718901      3.480810      5.927901
  N      -7.932286      3.313667      4.871878
  C      -8.518625      3.037695      3.670927
  N      -9.802512      2.928385      3.420732
  C     -10.642791      3.115329      4.483921
  C     -12.040265      3.028720      4.279033
  C     -12.905997      3.204968      5.339217
  C     -12.411195      3.472482      6.637172
  C     -11.052723      3.565212      6.863735
  C     -10.139093      3.391772      5.793732
  H      -2.219934      0.949986      2.644602
  H      -3.689300      1.937178      2.637678
  H      -3.669149     -0.131250      4.801736
  H      -3.587908     -0.819564      3.179976
  H      -5.942342     -0.550171      4.095204
  H      -5.717829      1.209201      4.081130
  H      -6.495248      2.659370     -0.068305
  H      -6.712928     -1.531512     -1.938644
  H      -6.415385     -3.854547     -1.064595
  H      -5.873870     -4.229482      1.335001
  H      -5.601317     -2.321114      2.871573
  H      -4.711988      6.040115      5.987722
  H      -3.399369      6.794988      6.897967
  H      -2.627586      7.911342      4.749800
  H      -4.246481      8.382388      5.295138
  H      -4.013936      7.939789      2.780064
  H      -3.689084      6.257349      3.148259
  H      -8.306629      7.157429      5.452354
  H      -9.505469      5.403298      1.377777
  H      -8.268694      4.844169     -0.716890
  H      -5.813539      5.234649     -0.863110
  H      -4.576106      6.177010      1.055687
  H      -5.990151      1.949299      7.899220
  H      -6.185087      2.144970      6.150181
  H      -6.264953      4.399570      8.226020
  H      -6.296986      4.655165      6.476583
  H      -8.390882      2.972335      7.971814
  H      -8.560616      4.688278      7.668652
  H      -7.825615      2.887459      2.837606
  H     -12.399475      2.821008      3.270510
  H     -13.983461      3.139039      5.180115
  H     -13.112379      3.607706      7.462337
  H     -10.683704      3.775004      7.867905
  N      -5.050376      3.700303      4.166378
  H      -5.038307      3.860285      3.153604
  H      -6.042428      3.599361      4.473436
98
Coordinates from ORCA-job orca E -6204.225627466785
  N      -2.457578      2.104408      4.358428
  Mo     -3.491093      3.489060      5.293534
  N      -4.352100      2.828654      6.910471
  C      -3.583012      2.758573      8.154616
  C      -2.155281      2.341139      7.832628
  N      -1.648009      3.160646      6.704276
  C      -0.614510      2.457380      5.907746
  C      -1.287870      1.476214      4.971288
  C      -1.164027      4.497771      7.137497
  C      -1.395657      5.461202      5.978534
  N      -2.784988      5.292842      5.555230
  H      -0.575137      1.166851      4.186796
  H      -1.581847      0.552939      5.507530
  H      -0.085365      3.215065      5.314287
  H       0.121697      1.961048      6.562643
  H      -1.206835      6.498838      6.295121
  H      -0.705988      5.250467      5.145811
  H      -1.769518      4.820092      7.995956
  H      -0.108982      4.447121      7.457063
  H      -4.031798      2.016129      8.835558
  H      -3.598833      3.729064      8.684151
  H      -2.157732      1.291526      7.508089
  H      -1.493936      2.430254      8.710818
  C      -3.023826      1.279471      3.278383
  C      -3.850263      0.058380      3.751762
  C      -5.374100      0.256877      3.608740
  C      -5.799721      0.354427      2.169897
  N      -5.949984      1.574941      1.660660
  C      -6.284663      1.667515      0.343793
  N      -6.471771      0.684461     -0.510775
  C      -6.327135     -0.581221     -0.012810
  C      -6.517921     -1.688568     -0.875350
  C      -6.382294     -2.972549     -0.391178
  C      -6.055103     -3.201011      0.966530
  C      -5.861298     -2.141439      1.828273
  C      -5.989222     -0.807744      1.359749
  C      -3.685069      6.403221      5.893030
  C      -3.667537      7.541250      4.868483
  C      -4.236811      7.137553      3.510631
  C      -5.721601      6.863916      3.495689
  N      -6.425500      7.140354      4.586085
  C      -7.765158      6.899187      4.550241
  N      -8.470457      6.412707      3.551218
  C      -7.770026      6.119627      2.412038
  C      -8.461503      5.587108      1.296802
  C      -7.775753      5.286032      0.138476
  C      -6.380146      5.501117      0.050878
  C      -5.680822      6.013322      1.125680
  C      -6.358171      6.333327      2.328565
  C      -5.801092      2.630866      7.040472
  C      -6.570445      3.942309      7.254267
  C      -8.088274      3.770872      7.251704
  C      -8.714253      3.476907      5.909532
  N      -7.927212      3.308085      4.854203
  C      -8.512419      3.028677      3.653799
  N      -9.796244      2.916674      3.403186
  C     -10.637180      3.106366      4.465321
  C     -12.034722      3.017999      4.260238
  C     -12.900799      3.199380      5.318873
  C     -12.406602      3.471872      6.616027
  C     -11.048316      3.564173      6.843337
  C     -10.134259      3.386992      5.774728
  H      -2.177521      0.937024      2.658789
  H      -3.650823      1.917323      2.642100
  H      -3.620980     -0.150886      4.807885
  H      -3.547158     -0.833867      3.184306
  H      -5.898100     -0.572293      4.105489
  H      -5.672458      1.186966      4.109440
  H      -6.409375      2.686431     -0.034808
  H      -6.775578     -1.489878     -1.916202
  H      -6.531618     -3.824338     -1.056801
  H      -5.960100     -4.224481      1.331849
  H      -5.614342     -2.331440      2.873368
  H      -4.713636      6.029623      5.979122
  H      -3.406099      6.793820      6.888255
  H      -2.635786      7.902222      4.733377
  H      -4.253040      8.374043      5.284118
  H      -4.032470      7.929923      2.770339
  H      -3.705698      6.246754      3.136469
  H      -8.309966      7.141106      5.469164
  H      -9.534853      5.420087      1.388205
  H      -8.311472      4.875964     -0.719187
  H      -5.856612      5.260542     -0.875581
  H      -4.606514      6.182297      1.045147
  H      -5.991287      1.943707      7.883787
  H      -6.177708      2.139691      6.133855
  H      -6.262481      4.395600      8.208667
  H      -6.289766      4.649400      6.459484
  H      -8.386827      2.972098      7.953856
  H      -8.555667      4.687038      7.648250
  H      -7.818400      2.875898      2.821565
  H     -12.393488      2.806083      3.252416
  H     -13.978223      3.133425      5.159115
  H     -13.107857      3.610832      7.440141
  H     -10.679901      3.776625      7.847186
  N      -5.031572      3.680008      4.154203
  H      -5.014962      3.825342      3.138821
  H      -6.025053      3.576365      4.456027
98
Coordinates from ORCA-job orca E -6204.225491110892
  N      -2.433306      2.100302      4.386089
  Mo     -3.475178      3.489776      5.307590
  N      -4.341325      2.843165      6.928239
  C      -3.575308      2.789265      8.175281
  C      -2.146516      2.369112      7.862481
  N      -1.635815      3.177304      6.727117
  C      -0.598288      2.465681      5.941357
  C      -1.268202      1.475495      5.011727
  C      -1.153337      4.519411      7.149352
  C      -1.384646      5.472755      5.982126
  N      -2.773118      5.297188      5.557113
  H      -0.552853      1.156421      4.233584
  H      -1.567528      0.558714      5.555213
  H      -0.068327      3.218086      5.342227
  H       0.135773      1.977378      6.604501
  H      -1.199479      6.514006      6.289242
  H      -0.692598      5.256496      5.152518
  H      -1.760810      4.848709      8.003976
  H      -0.098759      4.472497      7.471129
  H      -4.025957      2.055986      8.865275
  H      -3.592911      3.767129      8.692644
  H      -2.146613      1.316449      7.547626
  H      -1.488323      2.467451      8.742009
  C      -2.991075      1.271681      3.302745
  C      -3.828821      0.056501      3.766091
  C      -5.350674      0.271642      3.623810
  C      -5.773525      0.402569      2.186472
  N      -5.866245      1.634571      1.689282
  C      -6.202659      1.758268      0.375514
  N      -6.455002      0.794647     -0.484890
  C      -6.371290     -0.481857      0.000383
  C      -6.638193     -1.567268     -0.869636
  C      -6.558567     -2.862988     -0.402282
  C      -6.212190     -3.122491      0.945071
  C      -5.950766     -2.083196      1.815205
  C      -6.023707     -0.740497      1.365254
  C      -3.674932      6.412277      5.877444
  C      -3.665226      7.530500      4.831185
  C      -4.248412      7.103470      3.486458
  C      -5.733536      6.830847      3.489561
  N      -6.426851      7.123112      4.582429
  C      -7.766715      6.883312      4.562010
  N      -8.481585      6.385929      3.575503
  C      -7.791859      6.077239      2.433852
  C      -8.493967      5.533220      1.330862
  C      -7.819117      5.215779      0.169935
  C      -6.424094      5.425978      0.067975
  C      -5.714467      5.947939      1.131248
  C      -6.381007      6.285209      2.336001
  C      -5.788938      2.641702      7.055063
  C      -6.562745      3.953541      7.247336
  C      -8.078974      3.779137      7.230953
  C      -8.683715      3.450849      5.887641
  N      -7.878733      3.262094      4.848984
  C      -8.442719      2.949970      3.647013
  N      -9.722256      2.821100      3.378946
  C     -10.581119      3.029935      4.423056
  C     -11.974866      2.923801      4.199242
  C     -12.858060      3.126676      5.238807
  C     -12.386006      3.437540      6.535747
  C     -11.032388      3.545393      6.781907
  C     -10.100800      3.347258      5.732941
  H      -2.139576      0.922391      2.695304
  H      -3.605343      1.910974      2.658365
  H      -3.603191     -0.161632      4.820856
  H      -3.533797     -0.834355      3.193340
  H      -5.882715     -0.562030      4.102537
  H      -5.638796      1.195284      4.141695
  H      -6.271584      2.786698      0.007572
  H      -6.907310     -1.342878     -1.902817
  H      -6.766947     -3.698210     -1.073341
  H      -6.157957     -4.154367      1.296468
  H      -5.691030     -2.296510      2.852113
  H      -4.702352      6.038369      5.975458
  H      -3.392963      6.822608      6.864197
  H      -2.634561      7.887372      4.680323
  H      -4.246862      8.371384      5.236375
  H      -4.051435      7.883556      2.731005
  H      -3.720304      6.206468      3.121826
  H      -8.302855      7.136481      5.482791
  H      -9.566736      5.370395      1.434517
  H      -8.362487      4.796750     -0.678482
  H      -5.908748      5.173533     -0.860678
  H      -4.640327      6.112109      1.040030
  H      -5.982905      1.963920      7.905073
  H      -6.159612      2.138852      6.152643
  H      -6.265609      4.419704      8.198889
  H      -6.275370      4.650744      6.446705
  H      -8.382047      2.995214      7.946975
  H      -8.554614      4.701819      7.600902
  H      -7.733941      2.784346      2.829551
  H     -12.316474      2.681927      3.192038
  H     -13.932191      3.047806      5.063868
  H     -13.100277      3.593326      7.344869
  H     -10.681173      3.785649      7.785830
  N      -5.017365      3.667457      4.168121
  H      -5.003987      3.772391      3.147165
  H      -6.010806      3.588055      4.475849
98
Coordinates from ORCA-job orca E -6204.225607754982
  N      -2.420256      2.101973      4.381918
  Mo     -3.471679      3.484818      5.304167
  N      -4.338567      2.833554      6.923703
  C      -3.574846      2.780370      8.171932
  C      -2.144379      2.365588      7.861192
  N      -1.633434      3.176500      6.728108
  C      -0.591735      2.470017      5.944329
  C      -1.256041      1.479622      5.012375
  C      -1.155880      4.519602      7.152142
  C      -1.387743      5.472660      5.985143
  N      -2.775668      5.293869      5.559162
  H      -0.536543      1.162109      4.237061
  H      -1.556026      0.562285      5.554144
  H      -0.062637      3.225420      5.348516
  H       0.141798      1.983177      6.608274
  H      -1.205786      6.514260      6.292820
  H      -0.694590      5.258317      5.155845
  H      -1.766100      4.846428      8.006041
  H      -0.101384      4.475134      7.475989
  H      -4.024443      2.045287      8.860480
  H      -3.596408      3.757533      8.690438
  H      -2.139622      1.313512      7.544615
  H      -1.488304      2.465247      8.741835
  C      -2.964558      1.271087      3.293003
  C      -3.797823      0.049228      3.747209
  C      -5.320571      0.252481      3.598921
  C      -5.741842      0.359392      2.158610
  N      -5.821878      1.581250      1.633993
  C      -6.161878      1.680787      0.318620
  N      -6.433092      0.700971     -0.517796
  C      -6.364659     -0.563957     -0.004043
  C      -6.652263     -1.665010     -0.847810
  C      -6.583110     -2.950569     -0.353744
  C      -6.223089     -3.185727      0.994529
  C      -5.941860     -2.131669      1.839848
  C      -6.008608     -0.797106      1.363049
  C      -3.680373      6.404251      5.888494
  C      -3.675473      7.531539      4.852064
  C      -4.267450      7.117473      3.507045
  C      -5.753609      6.849761      3.514609
  N      -6.439759      7.123117      4.616515
  C      -7.780462      6.889776      4.597681
  N      -8.502719      6.417241      3.604686
  C      -7.821136      6.130595      2.453336
  C      -8.532591      5.617494      1.341621
  C      -7.865498      5.323895      0.170248
  C      -6.469195      5.528293      0.065794
  C      -5.750874      6.019058      1.137754
  C      -6.409737      6.331932      2.353204
  C      -5.786140      2.631022      7.049745
  C      -6.560060      3.941533      7.249988
  C      -8.076288      3.768951      7.227042
  C      -8.678669      3.460851      5.877783
  N      -7.872065      3.293070      4.836835
  C      -8.434388      3.004602      3.628211
  N      -9.713290      2.878843      3.355711
  C     -10.573688      3.067059      4.402535
  C     -11.967173      2.966022      4.174269
  C     -12.852154      3.152579      5.215377
  C     -12.382453      3.441599      6.518310
  C     -11.029260      3.543506      6.768917
  C     -10.095667      3.361295      5.718578
  H      -2.104513      0.925923      2.694937
  H      -3.575558      1.907162      2.640312
  H      -3.575324     -0.172534      4.802284
  H      -3.493838     -0.838161      3.172513
  H      -5.846156     -0.579489      4.087094
  H      -5.615721      1.179705      4.105411
  H      -6.216333      2.701931     -0.072528
  H      -6.927956     -1.460244     -1.882755
  H      -6.808051     -3.797595     -1.004366
  H      -6.174405     -4.209874      1.366312
  H      -5.669435     -2.327008      2.877540
  H      -4.706361      6.027804      5.986010
  H      -3.397099      6.806359      6.878157
  H      -2.645204      7.887866      4.699660
  H      -4.253344      8.370444      5.267106
  H      -4.072349      7.904572      2.757997
  H      -3.743938      6.222362      3.130388
  H      -8.310239      7.125306      5.526431
  H      -9.606141      5.459431      1.447271
  H      -8.415437      4.928120     -0.684818
  H      -5.959559      5.295878     -0.871459
  H      -4.675635      6.178100      1.044810
  H      -5.979463      1.948049      7.895932
  H      -6.156555      2.132685      6.144699
  H      -6.266237      4.399511      8.207041
  H      -6.269230      4.645492      6.456401
  H      -8.381801      2.975133      7.931785
  H      -8.551773      4.686832      7.609100
  H      -7.724590      2.860961      2.807656
  H     -12.306846      2.741572      3.162261
  H     -13.925869      3.077981      5.036828
  H     -13.098060      3.585464      7.328624
  H     -10.680033      3.766449      7.777619
  N      -5.014802      3.656713      4.165084
  H      -5.001636      3.738810      3.142479
  H      -6.008303      3.584256      4.476684
98
Coordinates from ORCA-job orca E -6204.225153268268
  N      -2.430555      2.108688      4.374570
  Mo     -3.481527      3.490972      5.296396
  N      -4.360098      2.839704      6.909374
  C      -3.602572      2.776317      8.160115
  C      -2.172370      2.356451      7.854780
  N      -1.651784      3.170324      6.728956
  C      -0.607828      2.464337      5.947853
  C      -1.269415      1.480724      5.006319
  C      -1.173940      4.510168      7.161094
  C      -1.394146      5.466834      5.994943
  N      -2.779364      5.295753      5.559221
  H      -0.546335      1.167009      4.232052
  H      -1.573682      0.559588      5.541861
  H      -0.071908      3.221589      5.359383
  H       0.120180      1.970487      6.614111
  H      -1.208358      6.506884      6.304811
  H      -0.697470      5.249572      5.169740
  H      -1.789489      4.835765      8.011017
  H      -0.122767      4.461713      7.492344
  H      -4.058601      2.040335      8.842344
  H      -3.622537      3.749542      8.683098
  H      -2.171089      1.306378      7.533129
  H      -1.520704      2.448351      8.739509
  C      -2.977498      1.286907      3.281198
  C      -3.821668      0.069943      3.734881
  C      -5.345076      0.278536      3.587664
  C      -5.770022      0.388986      2.149915
  N      -5.894048      1.612057      1.641747
  C      -6.244677      1.716032      0.329803
  N      -6.476161      0.738967     -0.520038
  C      -6.356293     -0.529702     -0.023844
  C      -6.587169     -1.633183     -0.883944
  C      -6.469096     -2.919254     -0.405805
  C      -6.114091     -3.157848      0.942933
  C      -5.879802     -2.106052      1.802645
  C      -5.997129     -0.766318      1.341327
  C      -3.684502      6.406740      5.881570
  C      -3.665002      7.534696      4.846830
  C      -4.218553      7.113125      3.487198
  C      -5.700881      6.824332      3.456635
  N      -6.421662      7.093541      4.538120
  C      -7.758258      6.837660      4.484694
  N      -8.445178      6.344671      3.475787
  C      -7.727172      6.059389      2.345442
  C      -8.397501      5.519377      1.220686
  C      -7.693037      5.227706      0.071532
  C      -6.299131      5.460164      0.002339
  C      -5.619761      5.976713      1.087524
  C      -6.316865      6.286974      2.281510
  C      -5.809454      2.636942      7.028783
  C      -6.585356      3.943185      7.257644
  C      -8.103433      3.767795      7.269462
  C      -8.750957      3.494732      5.932865
  N      -7.983989      3.376165      4.856608
  C      -8.587720      3.120662      3.660887
  N      -9.872896      2.983527      3.433117
  C     -10.694415      3.120576      4.518038
  C     -12.094143      3.006009      4.339551
  C     -12.941893      3.141029      5.419954
  C     -12.426848      3.390883      6.713408
  C     -11.066160      3.506022      6.915369
  C     -10.170798      3.377241      5.824034
  H      -2.118577      0.937743      2.683156
  H      -3.583023      1.930397      2.628422
  H      -3.601933     -0.152422      4.790423
  H      -3.521708     -0.820078      3.161679
  H      -5.871331     -0.553709      4.075747
  H      -5.639128      1.205109      4.096402
  H      -6.343516      2.738523     -0.046924
  H      -6.860078     -1.427743     -1.918247
  H      -6.650359     -3.766448     -1.069728
  H      -6.027044     -4.183376      1.302437
  H      -5.606142     -2.305597      2.840226
  H      -4.711928      6.030992      5.964629
  H      -3.413408      6.806025      6.875134
  H      -2.633669      7.899490      4.718420
  H      -4.259547      8.369314      5.248003
  H      -4.014431      7.901863      2.742936
  H      -3.674571      6.224194      3.124492
  H      -8.317688      7.074293      5.397038
  H      -9.468720      5.338806      1.299190
  H      -8.210965      4.810628     -0.793184
  H      -5.759969      5.228681     -0.917477
  H      -4.545998      6.155400      1.022101
  H      -6.000960      1.940032      7.864349
  H      -6.181014      2.152562      6.116208
  H      -6.272841      4.387591      8.215094
  H      -6.312781      4.660615      6.469187
  H      -8.388608      2.957046      7.964017
  H      -8.568465      4.675238      7.687930
  H      -7.908541      3.018964      2.808660
  H     -12.468841      2.812991      3.334100
  H     -14.021066      3.055673      5.280007
  H     -13.113647      3.494820      7.555356
  H     -10.681828      3.700350      7.916516
  N      -5.014577      3.672340      4.146809
  H      -4.991553      3.764134      3.125519
  H      -6.010358      3.578912      4.447748
98
Coordinates from ORCA-job orca E -6204.225568612230
  N      -2.427883      2.099435      4.379215
  Mo     -3.469339      3.492810      5.293801
  N      -4.351203      2.848481      6.907864
  C      -3.595452      2.788271      8.161236
  C      -2.166259      2.362181      7.859192
  N      -1.641989      3.168388      6.728953
  C      -0.603967      2.451567      5.950799
  C      -1.272759      1.466826      5.015393
  C      -1.155300      4.506940      7.154490
  C      -1.371730      5.461057      5.984763
  N      -2.758978      5.295702      5.552133
  H      -0.552504      1.144036      4.244396
  H      -1.582441      0.551566      5.555474
  H      -0.063024      3.200719      5.357513
  H       0.121178      1.956225      6.618582
  H      -1.180711      6.500607      6.293214
  H      -0.677060      5.239248      5.159355
  H      -1.766722      4.839805      8.004431
  H      -0.103436      4.453095      7.484177
  H      -4.053827      2.053331      8.844362
  H      -3.613934      3.763818      8.682228
  H      -2.169346      1.309359      7.543605
  H      -1.514700      2.456481      8.744645
  C      -2.978524      1.274125      3.291341
  C      -3.823220      0.061983      3.749538
  C      -5.344852      0.278148      3.605346
  C      -5.770938      0.380592      2.167261
  N      -5.882187      1.603195      1.650221
  C      -6.227105      1.698054      0.336517
  N      -6.467817      0.716344     -0.506507
  C      -6.363168     -0.550204     -0.000985
  C      -6.611798     -1.653057     -0.852195
  C      -6.506031     -2.939392     -0.363168
  C      -6.156348     -3.170770      0.988472
  C      -5.913631     -2.112173      1.839870
  C      -6.008175     -0.779769      1.366755
  C      -3.655934      6.412275      5.877677
  C      -3.634309      7.539611      4.841012
  C      -4.215635      7.128505      3.490789
  C      -5.702807      6.872834      3.486644
  N      -6.395049      7.159609      4.581409
  C      -7.737793      6.936919      4.555515
  N      -8.456630      6.460933      3.561960
  C      -7.769227      6.157728      2.418059
  C      -8.476992      5.632444      1.309389
  C      -7.804910      5.322507      0.145461
  C      -6.407243      5.521228      0.045667
  C      -5.692070      6.022865      1.115189
  C      -6.355289      6.351170      2.324113
  C      -5.800071      2.640576      7.025533
  C      -6.582819      3.946015      7.227263
  C      -8.099552      3.760630      7.224261
  C      -8.723834      3.445139      5.886065
  N      -7.936714      3.277868      4.830042
  C      -8.520976      2.981350      3.633473
  N      -9.803935      2.847805      3.386451
  C     -10.644668      3.031954      4.449759
  C     -12.041135      2.917722      4.249536
  C     -12.906864      3.093008      5.309083
  C     -12.413733      3.386791      6.602252
  C     -11.056762      3.505007      6.824731
  C     -10.142757      3.332363      5.755310
  H      -2.121765      0.922306      2.691151
  H      -3.585872      1.913687      2.637730
  H      -3.600004     -0.160884      4.804653
  H      -3.529136     -0.829048      3.174497
  H      -5.874825     -0.548153      4.100034
  H      -5.634244      1.210834      4.108960
  H      -6.311370      2.717627     -0.049677
  H      -6.884102     -1.450430     -1.889404
  H      -6.697363     -3.788837     -1.020129
  H      -6.081600     -4.195358      1.356999
  H      -5.648865     -2.303001      2.879696
  H      -4.686255      6.043291      5.968367
  H      -3.375123      6.811166      6.869047
  H      -2.599675      7.889017      4.695680
  H      -4.208445      8.382438      5.251274
  H      -4.006546      7.911361      2.741725
  H      -3.697483      6.228806      3.122733
  H      -8.272076      7.185462      5.478415
  H      -9.552083      5.477420      1.411755
  H      -8.352627      4.917788     -0.707499
  H      -5.894750      5.276234     -0.885546
  H      -4.616178      6.175546      1.026068
  H      -5.991975      1.956330      7.870766
  H      -6.165523      2.140501      6.119521
  H      -6.281341      4.408989      8.178950
  H      -6.306624      4.649951      6.428012
  H      -8.391424      2.968189      7.936631
  H      -8.575398      4.677493      7.609749
  H      -7.827101      2.837762      2.799639
  H     -12.398926      2.690022      3.244683
  H     -13.983185      3.005720      5.152965
  H     -13.114576      3.521947      7.427251
  H     -10.689118      3.733577      7.825474
  N      -4.997252      3.677418      4.138307
  H      -4.974185      3.764357      3.115738
  H      -5.993566      3.598354      4.438318
98
Coordinates from ORCA-job orca E -6204.224917901468
  N      -2.437629      2.098681      4.385465
  Mo     -3.482868      3.481290      5.314687
  N      -4.329944      2.836920      6.947186
  C      -3.552201      2.790071      8.187108
  C      -2.125584      2.373688      7.861894
  N      -1.628147      3.181092      6.720291
  C      -0.594243      2.472315      5.928374
  C      -1.267665      1.478083      5.006997
  C      -1.149361      4.527092      7.134109
  C      -1.396548      5.475560      5.966117
  N      -2.788759      5.292573      5.555739
  H      -0.556093      1.157858      4.225877
  H      -1.562721      0.562963      5.554832
  H      -0.071451      3.225519      5.324510
  H       0.146016      1.988005      6.586589
  H      -1.213233      6.518802      6.267422
  H      -0.712426      5.259229      5.129919
  H      -1.751162      4.855309      7.993418
  H      -0.091273      4.486442      7.446715
  H      -3.993930      2.058364      8.884508
  H      -3.567460      3.769904      8.701094
  H      -2.124633      1.320334      7.548993
  H      -1.459685      2.476523      8.734950
  C      -2.991921      1.266869      3.302699
  C      -3.832678      0.054009      3.764269
  C      -5.353187      0.272712      3.618835
  C      -5.773246      0.387525      2.179107
  N      -5.831847      1.611375      1.656097
  C      -6.162693      1.717127      0.338779
  N      -6.445468      0.742753     -0.500066
  C      -6.397202     -0.524386      0.011739
  C      -6.696161     -1.619672     -0.835272
  C      -6.646824     -2.907037     -0.342992
  C      -6.297416     -3.149222      1.006857
  C      -6.006349     -2.100175      1.855259
  C      -6.051385     -0.764415      1.380202
  C      -3.694305      6.400017      5.891795
  C      -3.699735      7.527006      4.854901
  C      -4.288592      7.108920      3.509763
  C      -5.772100      6.828902      3.516327
  N      -6.461147      7.095426      4.617999
  C      -7.800386      6.853380      4.597291
  N      -8.518589      6.378887      3.602416
  C      -7.833741      6.097872      2.451575
  C      -8.541347      5.585771      1.336899
  C      -7.870499      5.295001      0.166944
  C      -6.474570      5.503308      0.066236
  C      -5.760675      5.997764      1.139532
  C      -6.423300      6.307226      2.353837
  C      -5.775091      2.636695      7.087654
  C      -6.540657      3.950851      7.291720
  C      -8.055490      3.783679      7.246495
  C      -8.624428      3.474115      5.884275
  N      -7.789259      3.317685      4.864039
  C      -8.317673      3.021059      3.642423
  N      -9.587863      2.875271      3.339113
  C     -10.476784      3.052771      4.364024
  C     -11.862525      2.929434      4.102033
  C     -12.775422      3.102406      5.121139
  C     -12.342195      3.399570      6.434872
  C     -10.997268      3.523203      6.718226
  C     -10.035734      3.355339      5.690977
  H      -2.137084      0.914070      2.701760
  H      -3.601054      1.904241      2.649673
  H      -3.608830     -0.166648      4.819302
  H      -3.539063     -0.837319      3.190602
  H      -5.886987     -0.554537      4.106587
  H      -5.637829      1.202639      4.126464
  H      -6.196840      2.738954     -0.052963
  H      -6.963801     -1.409082     -1.871473
  H      -6.879888     -3.749664     -0.996319
  H      -6.265176     -4.174617      1.377561
  H      -5.744238     -2.300417      2.894457
  H      -4.718691      6.019690      5.996837
  H      -3.405143      6.803346      6.879339
  H      -2.672148      7.890514      4.700659
  H      -4.282628      8.361828      5.270719
  H      -4.099665      7.898120      2.761349
  H      -3.757904      6.218552      3.132732
  H      -8.332614      7.084762      5.525400
  H      -9.615569      5.427951      1.438668
  H      -8.417300      4.899283     -0.690264
  H      -5.961807      5.272914     -0.869812
  H      -4.685963      6.161378      1.048783
  H      -5.965581      1.953803      7.934434
  H      -6.153515      2.140901      6.184495
  H      -6.254078      4.401233      8.254461
  H      -6.238608      4.657979      6.504937
  H      -8.375753      2.990969      7.945502
  H      -8.536318      4.703622      7.617080
  H      -7.586146      2.882498      2.840694
  H     -12.173872      2.698744      3.082245
  H     -13.843049      3.010125      4.916652
  H     -13.079374      3.531989      7.227389
  H     -10.675982      3.752180      7.734942
  N      -5.041663      3.641440      4.194908
  H      -5.043896      3.724145      3.171839
  H      -6.028660      3.548539      4.517011
98
Coordinates from ORCA-job orca E -6204.225717146494
  N      -2.421518      2.099130      4.388559
  Mo     -3.471679      3.486903      5.303767
  N      -4.345406      2.844334      6.923489
  C      -3.584944      2.794863      8.173916
  C      -2.155108      2.373486      7.869171
  N      -1.637944      3.177951      6.734672
  C      -0.596860      2.464697      5.956525
  C      -1.261823      1.474032      5.025010
  C      -1.157946      4.521188      7.154552
  C      -1.383912      5.470008      5.982802
  N      -2.771265      5.294564      5.554339
  H      -0.540798      1.151947      4.253230
  H      -1.567191      0.559110      5.568466
  H      -0.062183      3.215994      5.360194
  H       0.132502      1.976127      6.624404
  H      -1.198535      6.512221      6.286049
  H      -0.690170      5.249010      5.156017
  H      -1.769186      4.853100      8.005416
  H      -0.104715      4.474924      7.481282
  H      -4.038330      2.063873      8.864165
  H      -3.605067      3.773827      8.688163
  H      -2.153889      1.320105      7.556941
  H      -1.501390      2.473995      8.751715
  C      -2.963616      1.271396      3.296958
  C      -3.802166      0.051530      3.746741
  C      -5.325194      0.261617      3.607840
  C      -5.753326      0.383435      2.171592
  N      -5.840844      1.611033      1.662748
  C      -6.189300      1.724134      0.350942
  N      -6.459791      0.753772     -0.496061
  C      -6.379712     -0.517746      0.000778
  C      -6.660539     -1.610411     -0.855813
  C      -6.579090     -2.901334     -0.377925
  C      -6.215815     -3.150633      0.966869
  C      -5.940683     -2.105129      1.824101
  C      -6.017353     -0.765181      1.363528
  C      -3.675130      6.406834      5.877277
  C      -3.664466      7.530383      4.836786
  C      -4.242639      7.109921      3.487639
  C      -5.727638      6.837580      3.482223
  N      -6.424662      7.111215      4.577480
  C      -7.764471      6.871786      4.548314
  N      -8.475770      6.390549      3.551461
  C      -7.782826      6.101697      2.407091
  C      -8.481969      5.576454      1.293058
  C      -7.804241      5.283701      0.127862
  C      -6.409130      5.500147      0.032188
  C      -5.702049      6.000605      1.107305
  C      -6.371752      6.312855      2.316802
  C      -5.793012      2.638057      7.048152
  C      -6.571096      3.945681      7.252481
  C      -8.087678      3.767205      7.239349
  C      -8.701636      3.456557      5.895678
  N      -7.905426      3.296725      4.845720
  C      -8.478832      3.008006      3.642469
  N      -9.759356      2.874524      3.383175
  C     -10.609492      3.052885      4.439997
  C     -12.004495      2.941363      4.226754
  C     -12.879700      3.116099      5.278519
  C     -12.398046      3.404284      6.577158
  C     -11.042894      3.517223      6.812903
  C     -10.119357      3.346419      5.751559
  H      -2.102043      0.925019      2.701424
  H      -3.570169      1.909281      2.641190
  H      -3.575606     -0.180138      4.798880
  H      -3.505486     -0.832853      3.163356
  H      -5.850309     -0.573643      4.091389
  H      -5.616207      1.184996      4.124304
  H      -6.252440      2.748980     -0.027503
  H      -6.939558     -1.394829     -1.887648
  H      -6.797517     -3.741853     -1.038905
  H      -6.158096     -4.178940      1.326040
  H      -5.665204     -2.311252      2.858929
  H      -4.702168      6.031372      5.971927
  H      -3.395210      6.811530      6.866618
  H      -2.633249      7.888010      4.690964
  H      -4.246752      8.369874      5.244096
  H      -4.042253      7.894345      2.737519
  H      -3.713727      6.214728      3.119878
  H      -8.303273      7.109454      5.471676
  H      -9.554612      5.408887      1.392344
  H      -8.344735      4.879110     -0.729234
  H      -5.891498      5.269208     -0.900607
  H      -4.627578      6.166937      1.021509
  H      -5.983694      1.953507      7.893731
  H      -6.162811      2.139549      6.142955
  H      -6.273657      4.403227      8.208437
  H      -6.286971      4.652257      6.458527
  H      -8.386464      2.974102      7.947807
  H      -8.562950      4.684590      7.623455
  H      -7.777321      2.870194      2.813937
  H     -12.353345      2.718217      3.217778
  H     -13.954802      3.032736      5.111730
  H     -13.106069      3.539053      7.395992
  H     -10.684244      3.740651      7.818003
  N      -5.010221      3.656907      4.159535
  H      -4.996558      3.732597      3.136217
  H      -6.004124      3.593327      4.470674
98
Coordinates from ORCA-job orca E -6204.225691296968
  N      -2.429414      2.104000      4.386824
  Mo     -3.480330      3.486660      5.307053
  N      -4.347429      2.837724      6.927923
  C      -3.583503      2.785617      8.176504
  C      -2.153149      2.370298      7.866542
  N      -1.642274      3.180525      6.733367
  C      -0.601633      2.473014      5.950336
  C      -1.266107      1.481632      5.018919
  C      -1.167172      4.524322      7.155920
  C      -1.398344      5.475475      5.986699
  N      -2.785317      5.296286      5.558529
  H      -0.546040      1.164062      4.245091
  H      -1.566022      0.564554      5.561510
  H      -0.070842      3.226954      5.353938
  H       0.131507      1.984814      6.614457
  H      -1.216304      6.517306      6.293057
  H      -0.704598      5.259350      5.158901
  H      -1.777861      4.851580      8.008747
  H      -0.113195      4.481206      7.480728
  H      -4.032285      2.049087      8.864097
  H      -3.605867      3.762020      8.695474
  H      -2.149450      1.317532      7.551380
  H      -1.497302      2.470488      8.747917
  C      -2.970620      1.279850      3.293215
  C      -3.803676      0.055883      3.740405
  C      -5.328438      0.267765      3.624519
  C      -5.777663      0.393978      2.195169
  N      -5.886640      1.624062      1.696094
  C      -6.255975      1.740457      0.390474
  N      -6.524786      0.772447     -0.459680
  C      -6.421971     -0.501518      0.026915
  C      -6.698577     -1.591373     -0.833427
  C      -6.594184     -2.884443     -0.364508
  C      -6.214928     -3.137674      0.975167
  C      -5.944015     -2.093671      1.835567
  C      -6.040121     -0.752822      1.383596
  C      -3.693386      6.404978      5.879542
  C      -3.672927      7.533747      4.844709
  C      -4.223654      7.116419      3.483320
  C      -5.706295      6.836669      3.447507
  N      -6.425281      7.096500      4.531760
  C      -7.763581      6.853482      4.474260
  N      -8.454467      6.383063      3.458267
  C      -7.739004      6.108875      2.324351
  C      -8.416099      5.596554      1.190717
  C      -7.715171      5.316564      0.036312
  C      -6.318233      5.534097     -0.029216
  C      -5.632931      6.024708      1.064494
  C      -6.326366      6.322834      2.264102
  C      -5.794382      2.627167      7.057643
  C      -6.574854      3.931302      7.275698
  C      -8.091056      3.747058      7.267179
  C      -8.708676      3.449612      5.922213
  N      -7.915663      3.307061      4.867168
  C      -8.492396      3.024779      3.663733
  N      -9.772913      2.882420      3.409310
  C     -10.619768      3.042927      4.471679
  C     -12.014405      2.919938      4.263665
  C     -12.886197      3.072759      5.321797
  C     -12.401134      3.351226      6.621350
  C     -11.046109      3.476822      6.851616
  C     -10.126107      3.328053      5.783702
  H      -2.109508      0.940360      2.692269
  H      -3.583037      1.917490      2.641998
  H      -3.562640     -0.188856      4.786604
  H      -3.515342     -0.821788      3.142212
  H      -5.846401     -0.569516      4.112943
  H      -5.613383      1.189411      4.149336
  H      -6.337521      2.766341      0.019518
  H      -6.991503     -1.372602     -1.861167
  H      -6.807944     -3.723255     -1.028516
  H      -6.140290     -4.167530      1.327404
  H      -5.655748     -2.302116      2.866134
  H      -4.720969      6.027181      5.962104
  H      -3.423460      6.804871      6.873552
  H      -2.641248      7.898088      4.717342
  H      -4.265824      8.367998      5.246454
  H      -4.012371      7.904695      2.740478
  H      -3.684032      6.225815      3.122345
  H      -8.320747      7.080075      5.389293
  H      -9.491275      5.429397      1.265878
  H      -8.238973      4.921709     -0.835819
  H      -5.782565      5.313292     -0.953675
  H      -4.557306      6.192926      1.001444
  H      -5.978798      1.936563      7.899484
  H      -6.167371      2.133903      6.150948
  H      -6.274361      4.381633      8.233941
  H      -6.296898      4.645414      6.486119
  H      -8.384805      2.944910      7.967775
  H      -8.568282      4.658666      7.663121
  H      -7.794001      2.901636      2.830468
  H     -12.365872      2.704321      3.253931
  H     -13.961107      2.979250      5.159525
  H     -13.106593      3.468374      7.445203
  H     -10.684739      3.693025      7.857361
  N      -5.020830      3.649332      4.165162
  H      -5.009945      3.708862      3.140536
  H      -6.012203      3.552828      4.475463
98
Coordinates from ORCA-job orca E -6204.225763111716
  N      -2.419991      2.099064      4.398503
  Mo     -3.474289      3.484573      5.311614
  N      -4.345371      2.843520      6.933952
  C      -3.583922      2.799938      8.184200
  C      -2.153281      2.381509      7.879998
  N      -1.639108      3.184528      6.743182
  C      -0.597031      2.471533      5.966602
  C      -1.260322      1.476887      5.037903
  C      -1.163211      4.530340      7.159274
  C      -1.392713      5.475931      5.985370
  N      -2.779325      5.295017      5.556862
  H      -0.538181      1.153796      4.267933
  H      -1.564545      0.563224      5.583948
  H      -0.063968      3.222105      5.367922
  H       0.133675      1.985984      6.635302
  H      -1.210800      6.519336      6.286576
  H      -0.698146      5.255503      5.159209
  H      -1.774610      4.862400      8.009878
  H      -0.109613      4.488124      7.485407
  H      -4.034839      2.069326      8.876631
  H      -3.606433      3.780217      8.695890
  H      -2.149566      1.327109      7.570804
  H      -1.499309      2.486283      8.762043
  C      -2.953530      1.275583      3.300057
  C      -3.795811      0.054945      3.738044
  C      -5.318621      0.275342      3.612416
  C      -5.757014      0.405695      2.179917
  N      -5.835441      1.635610      1.674660
  C      -6.194411      1.755460      0.366329
  N      -6.483254      0.790188     -0.480416
  C      -6.411633     -0.483476      0.012174
  C      -6.710804     -1.570656     -0.844785
  C      -6.636380     -2.863806     -0.371251
  C      -6.263087     -3.120403      0.969442
  C      -5.970782     -2.079806      1.826996
  C      -6.039225     -0.738090      1.370975
  C      -3.687562      6.404895      5.873756
  C      -3.674097      7.526055      4.830951
  C      -4.234625      7.098865      3.476671
  C      -5.717347      6.816948      3.454179
  N      -6.427172      7.075394      4.544872
  C      -7.765416      6.829676      4.499015
  N      -8.464420      6.358870      3.488598
  C      -7.758332      6.086811      2.348189
  C      -8.444358      5.576214      1.219149
  C      -7.753007      5.299539      0.058118
  C      -6.356913      5.518068     -0.018500
  C      -5.662907      6.006284      1.070640
  C      -6.346678      6.302018      2.276334
  C      -5.792369      2.634906      7.062536
  C      -6.571680      3.940977      7.272971
  C      -8.087729      3.758416      7.261517
  C      -8.700607      3.450858      5.916808
  N      -7.903466      3.300777      4.865996
  C      -8.475132      3.009622      3.662477
  N      -9.754415      2.863636      3.404059
  C     -10.605562      3.032145      4.461705
  C     -11.999424      2.907089      4.249137
  C     -12.875530      3.069991      5.302075
  C     -12.395823      3.359738      6.601126
  C     -11.041739      3.486294      6.836101
  C     -10.117381      3.328136      5.773443
  H      -2.087474      0.931779      2.709186
  H      -3.555745      1.915353      2.641893
  H      -3.562815     -0.194605      4.784754
  H      -3.508416     -0.822196      3.138936
  H      -5.844442     -0.559498      4.095881
  H      -5.600889      1.197848      4.136231
  H      -6.248787      2.781649     -0.009428
  H      -6.997023     -1.349369     -1.873633
  H      -6.868259     -3.700263     -1.032527
  H      -6.210703     -4.150363      1.324982
  H      -5.687017     -2.291381      2.858326
  H      -4.714100      6.026458      5.963497
  H      -3.414066      6.812271      6.863830
  H      -2.643604      7.889902      4.694509
  H      -4.265255      8.362863      5.230527
  H      -4.030408      7.882935      2.727358
  H      -3.696246      6.206441      3.116808
  H      -8.315032      7.054379      5.419200
  H      -9.518498      5.408572      1.302973
  H      -8.283405      4.906197     -0.810553
  H      -5.828546      5.299245     -0.947842
  H      -4.587854      6.175055      0.999188
  H      -5.979345      1.948090      7.907002
  H      -6.164376      2.138275      6.157280
  H      -6.273438      4.395792      8.229866
  H      -6.290726      4.650923      6.480799
  H      -8.383591      2.961628      7.967102
  H      -8.565628      4.673019      7.649302
  H      -7.773176      2.880153      2.833199
  H     -12.346718      2.682745      3.239876
  H     -13.949813      2.975780      5.135945
  H     -13.104550      3.484750      7.420923
  H     -10.684590      3.710724      7.841539
  N      -5.015508      3.641767      4.169703
  H      -5.006908      3.682553      3.143974
  H      -6.007933      3.575240      4.485377
98
Coordinates from ORCA-job orca E -6204.225809440361
  N      -2.396963      2.087052      4.417212
  Mo     -3.461271      3.474662      5.315733
  N      -4.339159      2.842434      6.938846
  C      -3.583993      2.814624      8.193390
  C      -2.150460      2.397890      7.900979
  N      -1.632481      3.191406      6.759189
  C      -0.585061      2.473638      5.994489
  C      -1.241694      1.470542      5.070283
  C      -1.160814      4.541844      7.164900
  C      -1.388030      5.476860      5.982079
  N      -2.772587      5.289008      5.550386
  H      -0.513900      1.141120      4.308365
  H      -1.549203      0.561669      5.622505
  H      -0.050228      3.220072      5.392111
  H       0.143017      1.994974      6.671077
  H      -1.209954      6.523123      6.275619
  H      -0.689707      5.251456      5.160375
  H      -1.775481      4.880266      8.010642
  H      -0.108270      4.504522      7.494956
  H      -4.036115      2.089627      8.890937
  H      -3.612552      3.799937      8.694972
  H      -2.141882      1.340611      7.601996
  H      -1.501439      2.513146      8.785342
  C      -2.911891      1.262466      3.310827
  C      -3.753509      0.036608      3.733270
  C      -5.276858      0.262335      3.624963
  C      -5.726345      0.411630      2.197869
  N      -5.782608      1.646389      1.700603
  C      -6.152950      1.782595      0.397020
  N      -6.476202      0.829407     -0.451023
  C      -6.427508     -0.448413      0.032881
  C      -6.762858     -1.522907     -0.826744
  C      -6.708362     -2.820751     -0.363349
  C      -6.318941     -3.094683      0.969314
  C      -5.992595     -2.066647      1.829708
  C      -6.041580     -0.720304      1.384653
  C      -3.684732      6.397870      5.858834
  C      -3.678244      7.509122      4.805500
  C      -4.248897      7.069560      3.459542
  C      -5.733221      6.795383      3.449545
  N      -6.432022      7.054532      4.547309
  C      -7.772114      6.817419      4.512256
  N      -8.483132      6.356083      3.505826
  C      -7.788727      6.084365      2.358147
  C      -8.488268      5.585061      1.232294
  C      -7.809454      5.312299      0.063035
  C      -6.412591      5.522054     -0.024679
  C      -5.705242      5.996611      1.061782
  C      -6.376165      6.289475      2.275217
  C      -5.785999      2.630250      7.064339
  C      -6.569465      3.934851      7.268858
  C      -8.085212      3.748860      7.249318
  C      -8.691190      3.445075      5.900433
  N      -7.889074      3.303039      4.852337
  C      -8.454671      3.018982      3.644353
  N      -9.732215      2.872419      3.378776
  C     -10.588575      3.033427      4.433306
  C     -11.981239      2.908557      4.213088
  C     -12.862711      3.065676      5.262413
  C     -12.389735      3.348988      6.565338
  C     -11.036938      3.474801      6.807886
  C     -10.107110      3.322319      5.749188
  H      -2.036058      0.923594      2.731774
  H      -3.507844      1.899805      2.644596
  H      -3.511110     -0.235563      4.772133
  H      -3.473832     -0.828856      3.113621
  H      -5.800421     -0.577126      4.102137
  H      -5.551594      1.178638      4.163174
  H      -6.185953      2.811862      0.027645
  H      -7.059288     -1.288337     -1.849701
  H      -6.967851     -3.647543     -1.026615
  H      -6.281151     -4.128155      1.316339
  H      -5.695520     -2.291845      2.854366
  H      -4.709680      6.016865      5.954757
  H      -3.410338      6.815351      6.844445
  H      -2.648633      7.871478      4.658992
  H      -4.266481      8.349996      5.200954
  H      -4.045739      7.844506      2.700620
  H      -3.717200      6.170483      3.105897
  H      -8.312189      7.040426      5.438621
  H      -9.562746      5.424452      1.324664
  H      -8.350158      4.928479     -0.803516
  H      -5.894183      5.305578     -0.960086
  H      -4.629508      6.156997      0.982334
  H      -5.973505      1.945527      7.910467
  H      -6.154281      2.130108      6.159683
  H      -6.277696      4.391479      8.226863
  H      -6.285735      4.644727      6.477666
  H      -8.382672      2.948944      7.950667
  H      -8.567123      4.660925      7.638108
  H      -7.748922      2.898553      2.817053
  H     -12.323281      2.689707      3.200867
  H     -13.936121      2.972239      5.090244
  H     -13.102641      3.469731      7.382180
  H     -10.685137      3.694208      7.816291
  N      -5.001262      3.613231      4.169930
  H      -4.996244      3.603933      3.142831
  H      -5.993995      3.580084      4.490845
98
Coordinates from ORCA-job orca E -6204.225884781087
  N      -2.374699      2.063638      4.451190
  Mo     -3.449173      3.459225      5.325423
  N      -4.336919      2.851588      6.954190
  C      -3.588706      2.849572      8.213243
  C      -2.153785      2.427013      7.937524
  N      -1.628163      3.199199      6.784865
  C      -0.576930      2.466594      6.039885
  C      -1.229183      1.451383      5.125964
  C      -1.157517      4.556412      7.168918
  C      -1.379351      5.471248      5.969318
  N      -2.762352      5.277150      5.535983
  H      -0.495178      1.107019      4.376765
  H      -1.546436      0.552901      5.689557
  H      -0.035621      3.202112      5.429924
  H       0.144546      1.996536      6.729483
  H      -1.201648      6.522302      6.245555
  H      -0.678148      5.231201      5.154146
  H      -1.775612      4.909488      8.006137
  H      -0.106431      4.524285      7.504135
  H      -4.044736      2.138783      8.922815
  H      -3.620158      3.844531      8.695344
  H      -2.144032      1.364577      7.657461
  H      -1.510181      2.557715      8.823689
  C      -2.864645      1.240100      3.332692
  C      -3.721598      0.017728      3.729813
  C      -5.242106      0.264058      3.625338
  C      -5.688396      0.439121      2.200493
  N      -5.705540      1.679290      1.712606
  C      -6.075734      1.838483      0.411527
  N      -6.437052      0.903497     -0.441298
  C      -6.427742     -0.379002      0.031969
  C      -6.803558     -1.434497     -0.834523
  C      -6.785783     -2.737682     -0.383478
  C      -6.393923     -3.035903      0.943226
  C      -6.030324     -2.026520      1.810703
  C      -6.042014     -0.675037      1.378773
  C      -3.676570      6.388018      5.830258
  C      -3.677156      7.481782      4.758785
  C      -4.259877      7.021034      3.425186
  C      -5.746855      6.761600      3.428919
  N      -6.434059      7.030411      4.531765
  C      -7.776974      6.808609      4.507405
  N      -8.501308      6.355222      3.506993
  C      -7.819054      6.073651      2.354419
  C      -8.533098      5.582265      1.234133
  C      -7.866665      5.302865      0.059313
  C      -6.468186      5.496688     -0.039186
  C      -5.746708      5.960709      1.042351
  C      -6.404811      6.261076      2.260741
  C      -5.783451      2.638079      7.079174
  C      -6.568888      3.943018      7.275196
  C      -8.084350      3.754407      7.251496
  C      -8.684121      3.442471      5.901667
  N      -7.877523      3.307922      4.856184
  C      -8.436244      3.019303      3.646370
  N      -9.711177      2.860066      3.376232
  C     -10.572533      3.013501      4.427825
  C     -11.963258      2.875420      4.202957
  C     -12.849864      3.026467      5.248815
  C     -12.384173      3.316493      6.552864
  C     -11.033414      3.454493      6.800162
  C     -10.098381      3.307906      5.745248
  H      -1.975202      0.897051      2.777679
  H      -3.438291      1.879186      2.648723
  H      -3.481891     -0.281493      4.761797
  H      -3.452524     -0.836781      3.090434
  H      -5.775936     -0.575379      4.090419
  H      -5.504500      1.176320      4.176145
  H      -6.074903      2.871012      0.050311
  H      -7.099719     -1.181359     -1.853090
  H      -7.075763     -3.549961     -1.052113
  H      -6.384007     -4.073366      1.280131
  H      -5.731329     -2.270644      2.830410
  H      -4.700398      6.006733      5.936512
  H      -3.399260      6.821779      6.808021
  H      -2.648071      7.839653      4.598360
  H      -4.260483      8.330824      5.144351
  H      -4.054228      7.779154      2.650198
  H      -3.738912      6.109900      3.085905
  H      -8.306972      7.037705      5.438123
  H      -9.608664      5.434436      1.334897
  H      -8.418063      4.925592     -0.803327
  H      -5.959267      5.273850     -0.978321
  H      -4.669409      6.105906      0.955565
  H      -5.971517      1.958604      7.929551
  H      -6.150127      2.131964      6.177405
  H      -6.281235      4.404420      8.232169
  H      -6.283444      4.649963      6.482008
  H      -8.382576      2.957692      7.956015
  H      -8.569651      4.667535      7.633634
  H      -7.726740      2.907395      2.821100
  H     -12.299612      2.652163      3.189803
  H     -13.921769      2.923231      5.072857
  H     -13.101037      3.432735      7.366868
  H     -10.687314      3.678997      7.809429
  N      -4.989131      3.571466      4.177187
  H      -4.993568      3.485687      3.152422
  H      -5.980430      3.576210      4.505262
98
Coordinates from ORCA-job orca E -6204.225989148473
  N      -2.368741      2.035955      4.480101
  Mo     -3.444520      3.446182      5.328701
  N      -4.345002      2.873282      6.964836
  C      -3.602162      2.894641      8.227144
  C      -2.169267      2.455552      7.967799
  N      -1.631372      3.200541      6.803536
  C      -0.581711      2.445863      6.079241
  C      -1.236463      1.422060      5.176857
  C      -1.154210      4.562088      7.163127
  C      -1.364436      5.454287      5.944379
  N      -2.747411      5.263040      5.510708
  H      -0.498956      1.057711      4.441010
  H      -1.568831      0.536946      5.752719
  H      -0.028429      3.165830      5.461687
  H       0.129304      1.979670      6.782196
  H      -1.178596      6.509220      6.199615
  H      -0.663032      5.191390      5.136577
  H      -1.774760      4.934721      7.989841
  H      -0.105104      4.530126      7.504514
  H      -4.065830      2.202347      8.949988
  H      -3.628946      3.899444      8.688626
  H      -2.166835      1.387847      7.708076
  H      -1.529612      2.597886      8.855195
  C      -2.838880      1.213557      3.352586
  C      -3.706424     -0.006688      3.728992
  C      -5.225537      0.252863      3.633457
  C      -5.673807      0.455748      2.213656
  N      -5.680362      1.704493      1.746609
  C      -6.054489      1.890030      0.450175
  N      -6.426810      0.973465     -0.417166
  C      -6.426512     -0.317393      0.033166
  C      -6.811766     -1.353896     -0.851231
  C      -6.802406     -2.665156     -0.423522
  C      -6.412679     -2.989879      0.897504
  C      -6.040985     -1.998728      1.782189
  C      -6.040755     -0.640385      1.373639
  C      -3.658772      6.377936      5.797633
  C      -3.663900      7.461117      4.715103
  C      -4.255102      6.988810      3.389231
  C      -5.743855      6.741699      3.401232
  N      -6.422341      7.008342      4.509982
  C      -7.766873      6.795379      4.492675
  N      -8.500355      6.351558      3.494938
  C      -7.827209      6.070083      2.337020
  C      -8.550816      5.585652      1.219784
  C      -7.893134      5.307968      0.039607
  C      -6.494606      5.496879     -0.067553
  C      -5.763688      5.952235      1.011433
  C      -6.412494      6.250073      2.235212
  C      -5.791333      2.661374      7.092055
  C      -6.575149      3.968226      7.284298
  C      -8.090777      3.778978      7.262244
  C      -8.688223      3.452715      5.914861
  N      -7.880255      3.325266      4.869796
  C      -8.434674      3.023318      3.661633
  N      -9.706933      2.843143      3.392293
  C     -10.570123      2.986923      4.443891
  C     -11.958466      2.823871      4.220771
  C     -12.846988      2.963823      5.266708
  C     -12.385584      3.268278      6.568931
  C     -11.037155      3.431023      6.814511
  C     -10.100268      3.295017      5.759720
  H      -1.938534      0.867080      2.817658
  H      -3.391905      1.853584      2.651922
  H      -3.464648     -0.330319      4.753175
  H      -3.446126     -0.849092      3.069922
  H      -5.764090     -0.590456      4.086158
  H      -5.479388      1.158223      4.200062
  H      -6.046868      2.928342      0.107185
  H      -7.106879     -1.080287     -1.864885
  H      -7.097936     -3.463243     -1.106473
  H      -6.410139     -4.033143      1.216338
  H      -5.744430     -2.262791      2.797516
  H      -4.682993      5.999201      5.912678
  H      -3.376611      6.821135      6.769641
  H      -2.634838      7.814884      4.544783
  H      -4.242281      8.316025      5.095213
  H      -4.045473      7.734974      2.603896
  H      -3.743989      6.068508      3.060228
  H      -8.289194      7.023732      5.427769
  H      -9.626347      5.441066      1.327467
  H      -8.451332      4.935792     -0.820917
  H      -5.992433      5.275389     -1.010684
  H      -4.685903      6.090060      0.919230
  H      -5.979492      1.986499      7.946274
  H      -6.159848      2.151471      6.193313
  H      -6.286665      4.432642      8.239587
  H      -6.290307      4.672698      6.488456
  H      -8.389387      2.989974      7.975215
  H      -8.576946      4.696362      7.633555
  H      -7.723847      2.918430      2.836512
  H     -12.291485      2.590229      3.208859
  H     -13.916992      2.840336      5.092243
  H     -13.103977      3.375973      7.382840
  H     -10.694212      3.667322      7.822179
  N      -4.984926      3.540294      4.180753
  H      -5.005109      3.382699      3.162475
  H      -5.972534      3.581827      4.516790
98
Coordinates from ORCA-job orca E -6204.226073143317
  N      -2.370126      2.007739      4.508422
  Mo     -3.445227      3.433397      5.331566
  N      -4.357848      2.895932      6.974627
  C      -3.618832      2.940627      8.239047
  C      -2.188678      2.484319      7.995457
  N      -1.639328      3.202069      6.820210
  C      -0.591961      2.425699      6.116142
  C      -1.250431      1.393092      5.226341
  C      -1.155672      4.567593      7.155704
  C      -1.353389      5.435961      5.917631
  N      -2.736199      5.248595      5.482449
  H      -0.510532      1.008138      4.503751
  H      -1.597162      0.522486      5.815422
  H      -0.027475      3.129608      5.490462
  H       0.109128      1.964011      6.831860
  H      -1.158090      6.494304      6.150817
  H      -0.651655      5.148561      5.118759
  H      -1.779034      4.959926      7.971031
  H      -0.108738      4.535972      7.503857
  H      -4.089852      2.267408      8.975161
  H      -3.639526      3.954810      8.679798
  H      -2.194680      1.411918      7.755808
  H      -1.552212      2.637540      8.883476
  C      -2.818173      1.187391      3.370829
  C      -3.682207     -0.040918      3.724024
  C      -5.202556      0.216531      3.641777
  C      -5.653653      0.454535      2.228430
  N      -5.647563      1.712805      1.787448
  C      -6.022148      1.931489      0.496308
  N      -6.401446      1.038073     -0.390977
  C      -6.410987     -0.263143      0.030223
  C      -6.801161     -1.276500     -0.878055
  C      -6.802535     -2.596884     -0.479672
  C      -6.420054     -2.954085      0.835029
  C      -6.043178     -1.985852      1.742418
  C      -6.030310     -0.619080      1.363778
  C      -3.644892      6.367564      5.761627
  C      -3.650571      7.443077      4.671007
  C      -4.247290      6.964807      3.349428
  C      -5.738366      6.733416      3.363785
  N      -6.412239      7.002651      4.474693
  C      -7.758859      6.802669      4.459146
  N      -8.498093      6.366351      3.462553
  C      -7.829668      6.079951      2.303019
  C      -8.558867      5.598776      1.188101
  C      -7.905799      5.316517      0.006349
  C      -6.506900      5.499444     -0.105167
  C      -5.770372      5.950866      0.971927
  C      -6.414020      6.250681      2.197944
  C      -5.803227      2.684084      7.106184
  C      -6.585464      3.991864      7.299911
  C      -8.100886      3.801122      7.285265
  C      -8.700466      3.463063      5.942002
  N      -7.894557      3.344087      4.894571
  C      -8.449123      3.032554      3.689391
  N      -9.719986      2.835484      3.424285
  C     -10.581153      2.967743      4.479243
  C     -11.967827      2.783602      4.262055
  C     -12.854173      2.910746      5.311590
  C     -12.392126      3.223974      6.611463
  C     -11.045251      3.407783      6.851168
  C     -10.110701      3.284416      5.792786
  H      -1.906276      0.848232      2.850527
  H      -3.359438      1.826673      2.659709
  H      -3.432226     -0.390222      4.737643
  H      -3.423748     -0.864530      3.040658
  H      -5.737626     -0.639282      4.074783
  H      -5.456869      1.106532      4.232773
  H      -6.007117      2.977268      0.177229
  H      -7.091393     -0.977954     -1.886071
  H      -7.101280     -3.377113     -1.181416
  H      -6.426688     -4.004062      1.130946
  H      -5.753012     -2.274307      2.752938
  H      -4.670073      5.991774      5.882151
  H      -3.360528      6.818383      6.729391
  H      -2.620526      7.791369      4.494683
  H      -4.223845      8.303218      5.047149
  H      -4.028520      7.699837      2.556269
  H      -3.747815      6.034652      3.030726
  H      -8.277256      7.036186      5.395015
  H      -9.634544      5.457643      1.299719
  H      -8.467839      4.945795     -0.852252
  H      -6.008449      5.275664     -1.049871
  H      -4.691836      6.081264      0.877513
  H      -5.989405      2.011561      7.962851
  H      -6.174902      2.172996      6.209725
  H      -6.292687      4.457789      8.253170
  H      -6.305155      4.695480      6.501511
  H      -8.396777      3.018464      8.006199
  H      -8.587070      4.721737      7.649049
  H      -7.740028      2.935797      2.861909
  H     -12.301452      2.543688      3.251782
  H     -13.922817      2.769993      5.141913
  H     -13.108877      3.321628      7.428110
  H     -10.701537      3.651539      7.856840
  N      -4.989398      3.509796      4.189066
  H      -5.030754      3.287682      3.180734
  H      -5.971339      3.573232      4.534708
98
Coordinates from ORCA-job orca E -6204.226095637518
  N      -2.378357      2.013276      4.501145
  Mo     -3.448065      3.440169      5.327936
  N      -4.362868      2.902572      6.969498
  C      -3.623202      2.944361      8.234035
  C      -2.194604      2.482855      7.989915
  N      -1.642906      3.200701      6.816107
  C      -0.598307      2.421880      6.110461
  C      -1.261149      1.392978      5.218737
  C      -1.157126      4.565141      7.154261
  C      -1.350375      5.435018      5.916234
  N      -2.732985      5.253241      5.478181
  H      -0.522877      1.005127      4.496174
  H      -1.611429      0.523778      5.807541
  H      -0.030442      3.124308      5.486170
  H       0.100526      1.955604      6.825584
  H      -1.150477      6.492529      6.149464
  H      -0.648677      5.144078      5.118868
  H      -1.781756      4.957658      7.968450
  H      -0.111099      4.531214      7.504793
  H      -4.096023      2.271681      8.969628
  H      -3.640040      3.958044      8.675890
  H      -2.205154      1.410827      7.748594
  H      -1.557626      2.631837      8.878463
  C      -2.828049      1.198339      3.360893
  C      -3.679828     -0.038289      3.713936
  C      -5.203263      0.207585      3.648810
  C      -5.671605      0.441531      2.239623
  N      -5.684067      1.699201      1.798518
  C      -6.070608      1.914873      0.510516
  N      -6.441157      1.017463     -0.375987
  C      -6.432264     -0.284520      0.044650
  C      -6.812985     -1.302496     -0.862358
  C      -6.800575     -2.622451     -0.462833
  C      -6.413389     -2.974934      0.851764
  C      -6.043345     -2.002334      1.757388
  C      -6.043395     -0.635897      1.377226
  C      -3.642495      6.369601      5.764691
  C      -3.645493      7.457594      4.686387
  C      -4.230101      6.995024      3.353484
  C      -5.719133      6.750467      3.354850
  N      -6.400978      6.993745      4.466848
  C      -7.745164      6.778269      4.442319
  N      -8.474401      6.346012      3.436575
  C      -7.797738      6.086598      2.275244
  C      -8.516232      5.611302      1.150993
  C      -7.855887      5.356717     -0.033070
  C      -6.460186      5.564584     -0.138461
  C      -5.733517      6.011791      0.947615
  C      -6.384422      6.280570      2.177404
  C      -5.807121      2.684727      7.101109
  C      -6.592826      3.989178      7.302382
  C      -8.107523      3.793840      7.291816
  C      -8.709693      3.456136      5.949602
  N      -7.906348      3.342011      4.899519
  C      -8.464152      3.031413      3.695565
  N      -9.735603      2.831911      3.433899
  C     -10.593681      2.957562      4.492271
  C     -11.980346      2.768969      4.279395
  C     -12.863255      2.887811      5.332815
  C     -12.397548      3.197244      6.632307
  C     -11.050557      3.385892      6.867600
  C     -10.119662      3.271377      5.805116
  H      -1.917243      0.869687      2.831183
  H      -3.379463      1.838292      2.658689
  H      -3.416711     -0.390412      4.723008
  H      -3.421706     -0.855327      3.022740
  H      -5.726984     -0.652765      4.086663
  H      -5.459344      1.093867      4.245543
  H      -6.072717      2.961454      0.193137
  H      -7.109046     -1.007541     -1.869850
  H      -7.092879     -3.405927     -1.163554
  H      -6.410746     -4.024670      1.149089
  H      -5.750150     -2.286862      2.768083
  H      -4.667953      5.991158      5.877308
  H      -3.362948      6.811412      6.738082
  H      -2.615672      7.812443      4.521327
  H      -4.225265      8.309755      5.070248
  H      -4.010424      7.742538      2.572553
  H      -3.722676      6.072693      3.025245
  H      -8.270532      6.993339      5.378786
  H      -9.589800      5.451608      1.257395
  H      -8.410193      4.990585     -0.898667
  H      -5.956896      5.365610     -1.086228
  H      -4.657441      6.163147      0.857488
  H      -5.990476      2.007356      7.954448
  H      -6.177761      2.177658      6.202187
  H      -6.298147      4.452015      8.256392
  H      -6.317986      4.696779      6.505612
  H      -8.399854      3.010142      8.012840
  H      -8.595197      4.713143      7.657093
  H      -7.757664      2.937199      2.865713
  H     -12.316928      2.531789      3.269454
  H     -13.931968      2.743189      5.166718
  H     -13.111681      3.287994      7.451995
  H     -10.703745      3.626936      7.872865
  N      -4.995196      3.522974      4.191294
  H      -5.041184      3.316149      3.178951
  H      -5.975281      3.575063      4.541085
98
Coordinates from ORCA-job orca E -6204.226108127697
  N      -2.347126      2.018148      4.513217
  Mo     -3.432293      3.437375      5.332795
  N      -4.352593      2.893298      6.969807
  C      -3.620638      2.947899      8.238393
  C      -2.186822      2.497479      8.004712
  N      -1.634193      3.214869      6.830904
  C      -0.580855      2.439835      6.133721
  C      -1.233569      1.404202      5.241872
  C      -1.158812      4.583891      7.166957
  C      -1.352970      5.449970      5.926354
  N      -2.731689      5.256496      5.481305
  H      -0.488529      1.015066      4.526683
  H      -1.585126      0.536886      5.832684
  H      -0.014028      3.143373      5.509477
  H       0.117359      1.980629      6.854201
  H      -1.162610      6.509533      6.158547
  H      -0.644570      5.162911      5.133306
  H      -1.788780      4.974670      7.978023
  H      -0.114020      4.557922      7.521722
  H      -4.092375      2.275458      8.974902
  H      -3.648342      3.963967      8.674087
  H      -2.187006      1.424427      7.768271
  H      -1.555874      2.655795      8.895795
  C      -2.775995      1.207885      3.361778
  C      -3.625670     -0.034664      3.696263
  C      -5.149404      0.217039      3.662097
  C      -5.643414      0.463595      2.263180
  N      -5.626072      1.719848      1.817784
  C      -6.038070      1.946008      0.539569
  N      -6.468247      1.059776     -0.331697
  C      -6.493819     -0.239863      0.093607
  C      -6.940723     -1.245658     -0.797422
  C      -6.960747     -2.564734     -0.395527
  C      -6.537481     -2.928973      0.904689
  C      -6.103567     -1.968826      1.795412
  C      -6.074172     -0.602346      1.414294
  C      -3.651114      6.366064      5.761302
  C      -3.656596      7.448673      4.678803
  C      -4.234579      6.974179      3.347769
  C      -5.722185      6.719927      3.346567
  N      -6.405996      6.947147      4.460937
  C      -7.749049      6.724964      4.432944
  N      -8.475755      6.303308      3.420360
  C      -7.796918      6.064595      2.255638
  C      -8.513440      5.610490      1.121285
  C      -7.851947      5.381977     -0.067363
  C      -6.456461      5.594040     -0.166865
  C      -5.731739      6.019412      0.928706
  C      -6.384194      6.263525      2.162551
  C      -5.795785      2.665027      7.095948
  C      -6.592345      3.963080      7.294436
  C      -8.105207      3.756062      7.274719
  C      -8.699150      3.425521      5.926920
  N      -7.890750      3.323118      4.879310
  C      -8.442936      3.021447      3.670386
  N      -9.712245      2.818268      3.402035
  C     -10.575304      2.933618      4.457317
  C     -11.960560      2.744414      4.236447
  C     -12.848554      2.856126      5.286173
  C     -12.389452      3.156917      6.590084
  C     -11.043899      3.344604      6.833371
  C     -10.107969      3.239089      5.774544
  H      -1.856924      0.887693      2.841438
  H      -3.324405      1.849061      2.659190
  H      -3.347830     -0.413187      4.691455
  H      -3.381409     -0.834746      2.980718
  H      -5.667415     -0.645404      4.100770
  H      -5.390757      1.096915      4.273504
  H      -6.008025      2.991112      0.218224
  H      -7.260737     -0.942166     -1.794851
  H      -7.305323     -3.338628     -1.083420
  H      -6.558514     -3.978181      1.202859
  H      -5.780866     -2.263521      2.794144
  H      -4.673929      5.980440      5.870493
  H      -3.379880      6.813601      6.734638
  H      -2.628635      7.809439      4.516248
  H      -4.243618      8.298740      5.056361
  H      -4.017902      7.718863      2.563458
  H      -3.719695      6.053237      3.025510
  H      -8.276513      6.924185      5.372089
  H      -9.587183      5.450969      1.222108
  H      -8.405027      5.033942     -0.941074
  H      -5.952602      5.416788     -1.118286
  H      -4.656268      6.176666      0.842110
  H      -5.977269      1.985333      7.947765
  H      -6.159116      2.156537      6.195061
  H      -6.307415      4.426977      8.250816
  H      -6.317784      4.673921      6.500672
  H      -8.394139      2.963460      7.987143
  H      -8.602052      4.667629      7.646366
  H      -7.733525      2.940098      2.841856
  H     -12.292018      2.513972      3.223304
  H     -13.916438      2.712867      5.113570
  H     -13.107459      3.241691      7.406943
  H     -10.702372      3.577775      7.842244
  N      -4.978049      3.501683      4.192330
  H      -5.027521      3.248210      3.191105
  H      -5.957884      3.585018      4.538515
98
Coordinates from ORCA-job orca E -6204.226143649284
  N      -2.353209      2.018453      4.511386
  Mo     -3.436730      3.436864      5.334746
  N      -4.354579      2.890082      6.971785
  C      -3.620934      2.941026      8.239511
  C      -2.187446      2.491134      8.002630
  N      -1.636484      3.210722      6.829260
  C      -0.584168      2.437255      6.129080
  C      -1.238059      1.403493      5.236375
  C      -1.160177      4.579052      7.166738
  C      -1.354504      5.446616      5.927212
  N      -2.733829      5.255070      5.483379
  H      -0.494251      1.015822      4.518889
  H      -1.588386      0.534905      5.826038
  H      -0.018076      3.142181      5.505788
  H       0.114874      1.976696      6.847639
  H      -1.162519      6.505786      6.159772
  H      -0.647362      5.158971      5.133078
  H      -1.789719      4.968967      7.978614
  H      -0.115131      4.552101      7.520927
  H      -4.091892      2.267384      8.975225
  H      -3.647478      3.956187      8.677237
  H      -2.187881      1.418606      7.764141
  H      -1.555116      2.647732      8.892890
  C      -2.783859      1.209789      3.359134
  C      -3.627746     -0.037413      3.693573
  C      -5.152159      0.205711      3.650313
  C      -5.639527      0.448746      2.248542
  N      -5.632420      1.705792      1.804977
  C      -6.038608      1.930020      0.524509
  N      -6.453016      1.040202     -0.351029
  C      -6.468915     -0.259647      0.072707
  C      -6.899971     -1.268346     -0.822713
  C      -6.910382     -2.588164     -0.422768
  C      -6.492936     -2.950175      0.879883
  C      -6.074295     -1.987208      1.774854
  C      -6.054810     -0.620061      1.395713
  C      -3.651482      6.366536      5.763106
  C      -3.654246      7.447783      4.678860
  C      -4.238058      6.974162      3.349880
  C      -5.729321      6.740566      3.348793
  N      -6.413437      7.003148      4.455113
  C      -7.759760      6.802658      4.426566
  N      -8.489361      6.369617      3.421115
  C      -7.810341      6.093278      2.265115
  C      -8.530067      5.622886      1.139591
  C      -7.868134      5.354750     -0.040537
  C      -6.468878      5.541262     -0.139783
  C      -5.741445      5.982675      0.947734
  C      -6.394389      6.268168      2.172586
  C      -5.797760      2.661886      7.097838
  C      -6.592170      3.960593      7.300159
  C      -8.105562      3.757504      7.282201
  C      -8.703271      3.435141      5.933993
  N      -7.897730      3.337870      4.883809
  C      -8.453940      3.046466      3.674090
  N      -9.724369      2.848247      3.407588
  C     -10.584503      2.958640      4.465812
  C     -11.970876      2.774888      4.247111
  C     -12.856021      2.882697      5.299672
  C     -12.392970      3.173903      6.604369
  C     -11.046304      3.356052      6.845585
  C     -10.113125      3.254146      5.783860
  H      -1.865546      0.894243      2.834945
  H      -3.337355      1.851420      2.660452
  H      -3.353388     -0.410053      4.692091
  H      -3.374979     -0.838893      2.982567
  H      -5.668179     -0.659020      4.087070
  H      -5.401257      1.084336      4.259796
  H      -6.018295      2.976173      0.205146
  H      -7.215695     -0.966695     -1.821929
  H      -7.242732     -3.364423     -1.114146
  H      -6.506623     -3.999724      1.176592
  H      -5.755815     -2.280441      2.775438
  H      -4.674878      5.983309      5.872594
  H      -3.378609      6.814534      6.735793
  H      -2.624614      7.801912      4.513501
  H      -4.235631      8.301979      5.056038
  H      -4.011210      7.711884      2.561775
  H      -3.734922      6.044693      3.032674
  H      -8.287337      7.032398      5.358497
  H      -9.606735      5.483389      1.240106
  H      -8.423863      4.994107     -0.907418
  H      -5.964496      5.332020     -1.084686
  H      -4.663175      6.120851      0.861327
  H      -5.979627      1.980072      7.947954
  H      -6.161595      2.155626      6.195642
  H      -6.304827      4.421266      8.257579
  H      -6.316958      4.672784      6.507797
  H      -8.395150      2.962308      7.991683
  H      -8.599347      4.668566      7.659046
  H      -7.747024      2.969930      2.842934
  H     -12.305451      2.551857      3.233315
  H     -13.924709      2.743785      5.128746
  H     -13.108784      3.255599      7.423499
  H     -10.701726      3.581474      7.855190
  N      -4.982660      3.506538      4.194597
  H      -5.027172      3.265457      3.190657
  H      -5.963886      3.576634      4.540346
98
Coordinates from ORCA-job orca E -6204.226156857154
  N      -2.356545      2.010164      4.515832
  Mo     -3.439260      3.432586      5.332845
  N      -4.360817      2.894812      6.971030
  C      -3.628267      2.950421      8.239467
  C      -2.195666      2.495582      8.006651
  N      -1.641382      3.208614      6.831049
  C      -0.589914      2.429896      6.135880
  C      -1.244882      1.394544      5.245879
  C      -1.163268      4.577550      7.162868
  C      -1.352871      5.439217      5.918364
  N      -2.731858      5.249755      5.472948
  H      -0.500646      1.001803      4.531924
  H      -1.598958      0.529579      5.838480
  H      -0.020349      3.130757      5.511306
  H       0.106129      1.969717      6.857545
  H      -1.157699      6.498897      6.145709
  H      -0.645442      5.144903      5.127087
  H      -1.794092      4.972407      7.971256
  H      -0.119105      4.550288      7.519718
  H      -4.101574      2.281400      8.977935
  H      -3.652546      3.967625      8.672517
  H      -2.198758      1.421914      7.772900
  H      -1.564214      2.654334      8.897304
  C      -2.780974      1.203054      3.360540
  C      -3.618230     -0.049811      3.689272
  C      -5.143583      0.187414      3.653956
  C      -5.636572      0.439304      2.256070
  N      -5.635835      1.699885      1.822806
  C      -6.045062      1.932974      0.545007
  N      -6.453820      1.048336     -0.338111
  C      -6.461523     -0.255460      0.074220
  C      -6.884791     -1.258942     -0.830287
  C      -6.887459     -2.582151     -0.441410
  C      -6.471382     -2.952537      0.859307
  C      -6.060113     -1.994480      1.762773
  C      -6.046590     -0.624594      1.394486
  C      -3.649057      6.361334      5.753369
  C      -3.651808      7.444885      4.670951
  C      -4.235684      6.975095      3.340557
  C      -5.726406      6.739946      3.340872
  N      -6.407304      6.990286      4.451883
  C      -7.752877      6.784554      4.426904
  N      -8.484472      6.356077      3.421152
  C      -7.808951      6.091472      2.260462
  C      -8.530890      5.623127      1.135515
  C      -7.872374      5.364711     -0.048684
  C      -6.474605      5.560012     -0.153084
  C      -5.744924      5.999721      0.933843
  C      -6.394082      6.273828      2.163390
  C      -5.804403      2.669744      7.098469
  C      -6.594904      3.970614      7.302891
  C      -8.108866      3.770830      7.288160
  C      -8.708760      3.445175      5.941767
  N      -7.904265      3.343050      4.891333
  C      -8.461914      3.046484      3.683551
  N      -9.732715      2.847776      3.419087
  C     -10.591659      2.961734      4.477985
  C     -11.978110      2.775542      4.261859
  C     -12.861911      2.885197      5.315449
  C     -12.397392      3.181538      6.618476
  C     -11.050613      3.366819      6.857036
  C     -10.118754      3.262343      5.794300
  H      -1.859708      0.894016      2.837320
  H      -3.335791      1.843755      2.661540
  H      -3.337799     -0.429108      4.683712
  H      -3.364852     -0.844137      2.970314
  H      -5.654807     -0.682549      4.086656
  H      -5.393914      1.060633      4.271345
  H      -6.032512      2.981857      0.235015
  H      -7.200451     -0.950757     -1.827661
  H      -7.213162     -3.354451     -1.140031
  H      -6.479726     -4.004551      1.147601
  H      -5.742992     -2.293837      2.761908
  H      -4.672838      5.977893      5.861924
  H      -3.376635      6.807929      6.726729
  H      -2.622146      7.799593      4.506075
  H      -4.233091      8.298054      5.050374
  H      -4.009727      7.715225      2.554474
  H      -3.732877      6.046867      3.020462
  H      -8.277490      7.004328      5.362730
  H      -9.606387      5.475737      1.240194
  H      -8.429803      5.004847     -0.914868
  H      -5.973082      5.357807     -1.101035
  H      -4.667624      6.143175      0.844005
  H      -5.986928      1.988101      7.948615
  H      -6.170681      2.164939      6.196445
  H      -6.304085      4.430470      8.259643
  H      -6.319827      4.682138      6.509680
  H      -8.399642      2.978925      8.000905
  H      -8.600030      4.684695      7.662103
  H      -7.755980      2.965343      2.852077
  H     -12.313844      2.548495      3.249316
  H     -13.930596      2.743704      5.146701
  H     -13.112240      3.264792      7.438355
  H     -10.704830      3.596751      7.865245
  N      -4.984959      3.500151      4.192979
  H      -5.031322      3.256716      3.188621
  H      -5.965473      3.570566      4.539386
98
Coordinates from ORCA-job orca E -6204.226163877957
  N      -2.353340      2.012895      4.516783
  Mo     -3.436791      3.434877      5.333661
  N      -4.360325      2.897116      6.970694
  C      -3.629204      2.954501      8.239932
  C      -2.196479      2.498807      8.009234
  N      -1.640507      3.210229      6.833367
  C      -0.588999      2.429770      6.139843
  C      -1.244333      1.395090      5.249139
  C      -1.161505      4.579128      7.164536
  C      -1.349373      5.440170      5.919334
  N      -2.728080      5.251661      5.472710
  H      -0.499760      1.000167      4.536773
  H      -1.601355      0.531333      5.841745
  H      -0.017639      3.129676      5.515824
  H       0.105419      1.968978      6.862762
  H      -1.153326      6.499857      6.145912
  H      -0.641605      5.144488      5.128860
  H      -1.792780      4.975026      7.972067
  H      -0.117744      4.551325      7.522405
  H      -4.103633      2.286921      8.979008
  H      -3.653465      3.972449      8.671322
  H      -2.199767      1.424885      7.776593
  H      -1.565902      2.658153      8.900422
  C      -2.775393      1.208915      3.358375
  C      -3.612324     -0.044910      3.683348
  C      -5.137740      0.192893      3.651477
  C      -5.634946      0.443035      2.254740
  N      -5.630129      1.702225      1.817569
  C      -6.044016      1.933848      0.541109
  N      -6.461735      1.048761     -0.337365
  C      -6.473494     -0.253847      0.078746
  C      -6.906424     -1.257759     -0.820837
  C      -6.913335     -2.579946     -0.428536
  C      -6.491897     -2.948796      0.870895
  C      -6.071496     -1.990309      1.769742
  C      -6.053632     -0.621426      1.397975
  C      -3.645227      6.363175      5.753931
  C      -3.647984      7.446873      4.671749
  C      -4.232596      6.976803      3.341846
  C      -5.723085      6.740106      3.343816
  N      -6.402813      6.988231      4.456069
  C      -7.748092      6.780183      4.432852
  N      -8.480388      6.351616      3.427579
  C      -7.805978      6.089489      2.265599
  C      -8.528565      5.621264      1.140986
  C      -7.871113      5.364908     -0.044273
  C      -6.473847      5.562558     -0.150201
  C      -5.743593      6.002493      0.936185
  C      -6.391578      6.274221      2.166836
  C      -5.803753      2.670178      7.096110
  C      -6.596327      3.970056      7.299094
  C      -8.110025      3.768497      7.281661
  C      -8.707750      3.441831      5.934416
  N      -7.902266      3.342296      4.884406
  C      -8.458293      3.044361      3.676181
  N      -9.728323      2.841984      3.410854
  C     -10.588286      2.953416      4.469166
  C     -11.974074      2.763214      4.252113
  C     -12.858867      2.870499      5.305061
  C     -12.396064      3.168219      6.608384
  C     -11.049972      3.357171      6.847897
  C     -10.117127      3.255286      5.785837
  H      -1.853172      0.901718      2.835825
  H      -3.329766      1.851236      2.660813
  H      -3.330652     -0.427086      4.676254
  H      -3.359958     -0.836910      2.961594
  H      -5.648067     -0.676390      4.086460
  H      -5.385638      1.066767      4.269051
  H      -6.027128      2.981701      0.227989
  H      -7.225948     -0.950667     -1.817364
  H      -7.246552     -3.352490     -1.123343
  H      -6.503399     -4.000109      1.161927
  H      -5.750347     -2.288662      2.767845
  H      -4.669019      5.979590      5.862138
  H      -3.373122      6.809501      6.727515
  H      -2.618377      7.801612      4.506552
  H      -4.229347      8.299892      5.051403
  H      -4.008128      7.717265      2.555650
  H      -3.729223      6.049125      3.021107
  H      -8.271774      6.997791      5.369758
  H      -9.603634      5.472145      1.246852
  H      -8.429000      5.004898     -0.910100
  H      -5.973201      5.361879     -1.098875
  H      -4.666683      6.147796      0.845164
  H      -5.986897      1.987996      7.945700
  H      -6.167896      2.165266      6.193366
  H      -6.307833      4.430289      8.256309
  H      -6.320521      4.681788      6.506382
  H      -8.400754      2.976382      7.994081
  H      -8.603002      4.681706      7.654770
  H      -7.751710      2.965616      2.844897
  H     -12.308495      2.535146      3.239374
  H     -13.927051      2.726045      5.135551
  H     -13.111663      3.249598      7.427757
  H     -10.705532      3.588003      7.856356
  N      -4.983029      3.503756      4.194637
  H      -5.030753      3.251068      3.192412
  H      -5.963157      3.577387      4.541343
98
Coordinates from ORCA-job orca E -6204.226169067430
  N      -2.347496      2.015116      4.517619
  Mo     -3.435663      3.433288      5.334904
  N      -4.359159      2.892298      6.970845
  C      -3.629329      2.952264      8.240736
  C      -2.195344      2.499889      8.011535
  N      -1.640108      3.211966      6.835657
  C      -0.586482      2.433151      6.143367
  C      -1.239519      1.397788      5.251834
  C      -1.163910      4.581977      7.166612
  C      -1.352022      5.442269      5.920935
  N      -2.729841      5.251329      5.472584
  H      -0.493617      1.002727      4.540868
  H      -1.597140      0.534167      5.844262
  H      -0.015277      3.133962      5.520208
  H       0.107672      1.973402      6.867199
  H      -1.157900      6.502386      6.147192
  H      -0.642964      5.147342      5.131272
  H      -1.796769      4.977064      7.973366
  H      -0.120490      4.556261      7.525680
  H      -4.103063      2.284524      8.980086
  H      -3.656026      3.970662      8.670930
  H      -2.195658      1.425820      7.779569
  H      -1.565830      2.661383      8.903038
  C      -2.764318      1.214263      3.355168
  C      -3.596915     -0.043673      3.675016
  C      -5.122699      0.192397      3.652266
  C      -5.628795      0.444666      2.259191
  N      -5.622568      1.703961      1.822318
  C      -6.045479      1.937848      0.549291
  N      -6.474993      1.054710     -0.325637
  C      -6.488836     -0.247761      0.090299
  C      -6.934451     -1.249475     -0.805754
  C      -6.943313     -2.571829     -0.414265
  C      -6.510635     -2.943217      0.880759
  C      -6.077999     -1.987068      1.776291
  C      -6.058606     -0.617823      1.405583
  C      -3.649685      6.360618      5.754401
  C      -3.652377      7.445639      4.673643
  C      -4.233910      6.975715      3.342341
  C      -5.724311      6.737586      3.340623
  N      -6.407542      6.986482      4.450579
  C      -7.752803      6.778923      4.423105
  N      -8.482114      6.351159      3.415252
  C      -7.804054      6.088924      2.255449
  C      -8.523451      5.623312      1.127669
  C      -7.862156      5.366810     -0.055402
  C      -6.464137      5.562000     -0.156098
  C      -5.737217      6.000144      0.933129
  C      -6.389173      6.272147      2.161559
  C      -5.802358      2.663254      7.095188
  C      -6.596309      3.961882      7.300844
  C      -8.109743      3.759222      7.281689
  C      -8.706607      3.437340      5.932924
  N      -7.900944      3.343853      4.882485
  C      -8.456762      3.051171      3.672810
  N      -9.726477      2.848103      3.406684
  C     -10.586642      2.953985      4.465391
  C     -11.972257      2.763564      4.247343
  C     -12.857266      2.866219      5.300529
  C     -12.394895      3.159192      6.605080
  C     -11.048977      3.347972      6.845608
  C     -10.115892      3.250806      5.783332
  H      -1.840225      0.912826      2.832639
  H      -3.321040      1.857182      2.660198
  H      -3.310308     -0.431591      4.664215
  H      -3.346210     -0.830499      2.947105
  H      -5.629577     -0.678005      4.088812
  H      -5.367093      1.064684      4.273323
  H      -6.026046      2.985691      0.236127
  H      -7.261980     -0.940520     -1.799064
  H      -7.286490     -3.342575     -1.106287
  H      -6.523375     -3.994689      1.171067
  H      -5.748057     -2.287770      2.770840
  H      -4.672837      5.974854      5.859859
  H      -3.380355      6.805961      6.729224
  H      -2.623057      7.802124      4.510847
  H      -4.235972      8.297254      5.053066
  H      -4.008560      7.717049      2.557175
  H      -3.728744      6.048869      3.021760
  H      -8.279433      6.996524      5.358393
  H      -9.599213      5.476803      1.229236
  H      -8.417612      5.008675     -0.923544
  H      -5.960454      5.361152     -1.103114
  H      -4.659831      6.144390      0.845896
  H      -5.985065      1.978643      7.942914
  H      -6.165424      2.160162      6.191045
  H      -6.309031      4.419880      8.259490
  H      -6.320161      4.675743      6.510206
  H      -8.399978      2.963959      7.990753
  H      -8.603742      4.670399      7.658291
  H      -7.750373      2.977862      2.840856
  H     -12.306351      2.539332      3.233639
  H     -13.925336      2.721866      5.130214
  H     -13.110639      3.237026      7.424641
  H     -10.704956      3.574917      7.855086
  N      -4.982161      3.500188      4.195756
  H      -5.027438      3.246216      3.193920
  H      -5.962746      3.581127      4.539903
98
Coordinates from ORCA-job orca E -6204.226173284635
  N      -2.344759      2.012894      4.520029
  Mo     -3.434435      3.431688      5.334115
  N      -4.360763      2.893248      6.969329
  C      -3.633038      2.956440      8.240386
  C      -2.198838      2.502910      8.014792
  N      -1.641273      3.211633      6.837964
  C      -0.587269      2.430134      6.149340
  C      -1.240077      1.394383      5.258192
  C      -1.164237      4.582035      7.166058
  C      -1.349107      5.439165      5.917650
  N      -2.726538      5.249279      5.467746
  H      -0.493255      0.996180      4.550006
  H      -1.600968      0.532844      5.851575
  H      -0.013484      3.128945      5.526339
  H       0.104467      1.970538      6.875536
  H      -1.153527      6.499559      6.141341
  H      -0.639474      5.140853      5.129799
  H      -1.798174      4.979948      7.970587
  H      -0.121505      4.556171      7.527188
  H      -4.108316      2.290918      8.980753
  H      -3.659908      3.976009      8.667760
  H      -2.199156      1.428205      7.785684
  H      -1.570750      2.666462      8.906935
  C      -2.756205      1.214620      3.353970
  C      -3.584871     -0.047328      3.668019
  C      -5.111128      0.185750      3.650152
  C      -5.621614      0.440284      2.259196
  N      -5.616184      1.700251      1.824217
  C      -6.043024      1.936340      0.552949
  N      -6.475500      1.054698     -0.322048
  C      -6.488382     -0.248420      0.091827
  C      -6.936663     -1.248519     -0.804606
  C      -6.944413     -2.571558     -0.415379
  C      -6.508059     -2.945177      0.877790
  C      -6.072802     -1.990539      1.773641
  C      -6.054284     -0.620756      1.405215
  C      -3.646017      6.358629      5.750980
  C      -3.649414      7.443880      4.670409
  C      -4.235252      6.974559      3.340792
  C      -5.726127      6.739496      3.343629
  N      -6.405573      6.991727      4.455131
  C      -7.751347      6.787173      4.431962
  N      -8.484563      6.359419      3.427005
  C      -7.810507      6.093421      2.265807
  C      -8.534264      5.626750      1.141272
  C      -7.877010      5.366124     -0.043134
  C      -6.478831      5.558095     -0.148456
  C      -5.747741      5.997157      0.937621
  C      -6.395466      6.273322      2.167363
  C      -5.804198      2.664683      7.092309
  C      -6.597527      3.963699      7.297962
  C      -8.111097      3.761985      7.277867
  C      -8.707306      3.439608      5.928921
  N      -7.901000      3.344462      4.879165
  C      -8.456263      3.050861      3.669435
  N      -9.725935      2.848452      3.402641
  C     -10.586758      2.956005      4.460673
  C     -11.972330      2.766205      4.241875
  C     -12.857965      2.870365      5.294394
  C     -12.396287      3.164445      6.598947
  C     -11.050416      3.352721      6.840180
  C     -10.116670      3.253848      5.778621
  H      -1.829785      0.918359      2.832482
  H      -3.313885      1.857794      2.659880
  H      -3.295205     -0.440427      4.654279
  H      -3.333660     -0.829090      2.934784
  H      -5.615258     -0.686351      4.086510
  H      -5.354982      1.056274      4.274055
  H      -6.024391      2.984662      0.241344
  H      -7.266996     -0.937811     -1.796462
  H      -7.289557     -3.341073     -1.107748
  H      -6.519960     -3.997121      1.166368
  H      -5.739992     -2.293011      2.766690
  H      -4.669214      5.973047      5.856929
  H      -3.375916      6.803488      6.725797
  H      -2.619915      7.798685      4.505101
  H      -4.230786      8.296371      5.051185
  H      -4.010613      7.715015      2.554586
  H      -3.732908      6.046517      3.019388
  H      -8.274693      7.007439      5.368421
  H      -9.610059      5.482533      1.246448
  H      -8.435873      5.007087     -0.908727
  H      -5.978413      5.353808     -1.096455
  H      -4.670296      6.138866      0.846866
  H      -5.987906      1.979715      7.939546
  H      -6.166667      2.162226      6.187599
  H      -6.310485      4.421252      8.256893
  H      -6.320335      4.677478      6.507620
  H      -8.402427      2.967381      7.987252
  H      -8.604705      4.673799      7.653515
  H      -7.749482      2.976032      2.838003
  H     -12.305888      2.541158      3.228164
  H     -13.925986      2.726377      5.123543
  H     -13.112535      3.243576      7.417950
  H     -10.706980      3.580678      7.849638
  N      -4.979980      3.498709      4.193699
  H      -5.023203      3.240858      3.192667
  H      -5.961154      3.578288      4.536233
98
Coordinates from ORCA-job orca E -6204.226175873797
  N      -2.345613      2.011079      4.522795
  Mo     -3.435815      3.430802      5.334443
  N      -4.364021      2.896515      6.970033
  C      -3.637439      2.963688      8.241686
  C      -2.203656      2.507384      8.019119
  N      -1.643989      3.211327      6.840482
  C      -0.590767      2.425679      6.155385
  C      -1.244953      1.390069      5.265045
  C      -1.165085      4.582041      7.164537
  C      -1.346471      5.434990      5.912701
  N      -2.723910      5.247300      5.461932
  H      -0.497893      0.987427      4.559684
  H      -1.610212      0.531377      5.859791
  H      -0.013676      3.121542      5.532172
  H       0.098107      1.965541      6.883911
  H      -1.148048      6.495658      6.132603
  H      -0.637062      5.131634      5.126641
  H      -1.799644      4.983854      7.966642
  H      -0.122976      4.555634      7.527485
  H      -4.114295      2.301415      8.983964
  H      -3.663281      3.984759      8.665453
  H      -2.205159      1.431881      7.793696
  H      -1.576271      2.673068      8.911388
  C      -2.751035      1.217137      3.351796
  C      -3.573989     -0.050425      3.657402
  C      -5.101047      0.177931      3.647542
  C      -5.618522      0.435875      2.259881
  N      -5.616651      1.697089      1.828535
  C      -6.049870      1.936364      0.560026
  N      -6.484658      1.056776     -0.315764
  C      -6.493196     -0.247791      0.094042
  C      -6.942916     -1.245944     -0.803722
  C      -6.946542     -2.570172     -0.418548
  C      -6.504909     -2.946899      0.871936
  C      -6.068151     -1.994125      1.769000
  C      -6.053227     -0.623312      1.404555
  C      -3.642523      6.356990      5.747354
  C      -3.645755      7.443796      4.668234
  C      -4.232401      6.976549      3.338153
  C      -5.723365      6.742341      3.341173
  N      -6.402434      6.993961      4.453024
  C      -7.748269      6.789854      4.430056
  N      -8.481904      6.363055      3.425040
  C      -7.808241      6.097041      2.263650
  C      -8.532316      5.630149      1.139409
  C      -7.875242      5.368547     -0.044887
  C      -6.477011      5.560021     -0.150520
  C      -5.745620      5.999512      0.935248
  C      -6.393106      6.276354      2.164996
  C      -5.807437      2.667981      7.092969
  C      -6.600412      3.967085      7.299857
  C      -8.114008      3.765516      7.279708
  C      -8.710176      3.442439      5.930918
  N      -7.904158      3.349091      4.880808
  C      -8.459316      3.054042      3.671423
  N      -9.728693      2.848971      3.405137
  C     -10.589288      2.954622      4.463581
  C     -11.974486      2.761413      4.245459
  C     -12.859846      2.863111      5.298477
  C     -12.398212      3.158283      6.602791
  C     -11.052679      3.349988      6.843331
  C     -10.119224      3.253477      5.781294
  H      -1.821920      0.928195      2.830844
  H      -3.310079      1.861041      2.659326
  H      -3.278970     -0.451774      4.638723
  H      -3.322571     -0.824225      2.915802
  H      -5.600727     -0.696891      4.083618
  H      -5.344229      1.045841      4.275581
  H      -6.035228      2.985701      0.251631
  H      -7.277588     -0.932740     -1.793350
  H      -7.292605     -3.338182     -1.112079
  H      -6.513800     -3.999698      1.157480
  H      -5.731471     -2.298932      2.760020
  H      -4.666050      5.971892      5.852937
  H      -3.371976      6.800152      6.722786
  H      -2.616033      7.797922      4.502744
  H      -4.226205      8.296289      5.050365
  H      -4.007590      7.717734      2.552686
  H      -3.730864      6.048555      3.015550
  H      -8.271229      7.009742      5.366775
  H      -9.608137      5.485982      1.244891
  H      -8.434358      5.009148     -0.910173
  H      -5.976758      5.354875     -1.098469
  H      -4.668105      6.140617      0.844365
  H      -5.991140      1.982294      7.939673
  H      -6.169983      2.166486      6.187822
  H      -6.313196      4.423710      8.259174
  H      -6.323141      4.681487      6.510030
  H      -8.405585      2.971438      7.989575
  H      -8.607487      4.677733      7.654657
  H      -7.752798      2.980213      2.839703
  H     -12.308003      2.535630      3.231889
  H     -13.927563      2.716239      5.128222
  H     -13.114242      3.235512      7.422175
  H     -10.709309      3.578991      7.852585
  N      -4.982424      3.499051      4.195687
  H      -5.025862      3.237669      3.195268
  H      -5.963280      3.580715      4.537998
98
Coordinates from ORCA-job orca E -6204.226176589355
  N      -2.344622      2.010506      4.523352
  Mo     -3.435147      3.430505      5.334075
  N      -4.363833      2.897091      6.969671
  C      -3.637725      2.965149      8.241559
  C      -2.203914      2.508473      8.019892
  N      -1.643702      3.211370      6.840875
  C      -0.590513      2.424757      6.156740
  C      -1.244885      1.389067      5.266582
  C      -1.164396      4.582156      7.164042
  C      -1.345268      5.434263      5.911542
  N      -2.722773      5.246877      5.460780
  H      -0.497723      0.985512      4.561850
  H      -1.611121      0.530955      5.861553
  H      -0.012702      3.119924      5.533398
  H       0.097712      1.964646      6.885915
  H      -1.146453      6.495014      6.130717
  H      -0.635942      5.130111      5.125727
  H      -1.798976      4.984827      7.965693
  H      -0.122397      4.555676      7.527249
  H      -4.114975      2.303450      8.984106
  H      -3.663652      3.986528      8.664563
  H      -2.205457      1.432778      7.795378
  H      -1.576849      2.674816      8.912273
  C      -2.749760      1.216781      3.352161
  C      -3.573384     -0.050360      3.657192
  C      -5.100318      0.179173      3.648047
  C      -5.618022      0.437182      2.260458
  N      -5.615301      1.698305      1.828921
  C      -6.048836      1.937492      0.560483
  N      -6.484622      1.058113     -0.314999
  C      -6.493958     -0.246443      0.095077
  C      -6.944817     -1.244456     -0.802259
  C      -6.949127     -2.568622     -0.416788
  C      -6.507074     -2.945353      0.873542
  C      -6.069279     -1.992653      1.770224
  C      -6.053691     -0.621934      1.405481
  C      -3.640960      6.356846      5.746760
  C      -3.644543      7.443391      4.667448
  C      -4.232555      6.976051      3.338033
  C      -5.723526      6.742072      3.342521
  N      -6.401589      6.994695      4.454768
  C      -7.747554      6.791240      4.432962
  N      -8.482212      6.364350      3.428721
  C      -7.809579      6.097359      2.266926
  C      -8.534781      5.630546      1.143383
  C      -7.878808      5.368305     -0.041391
  C      -6.480560      5.558850     -0.148102
  C      -5.748038      5.998099      0.936991
  C      -6.394425      6.275758      2.167140
  C      -5.807264      2.668455      7.092159
  C      -6.600602      3.967447      7.298312
  C      -8.114155      3.765553      7.277597
  C      -8.709731      3.441737      5.928747
  N      -7.903336      3.348444      4.878911
  C      -8.457870      3.052798      3.669422
  N      -9.727105      2.847277      3.402696
  C     -10.588114      2.952907      4.460799
  C     -11.973178      2.759294      4.242186
  C     -12.858967      2.860940      5.294839
  C     -12.397895      3.156448      6.599276
  C     -11.052509      3.348557      6.840298
  C     -10.118630      3.252151      5.778646
  H      -1.820552      0.927614      2.831469
  H      -3.308354      1.860890      2.659557
  H      -3.278165     -0.452933      4.637939
  H      -3.322750     -0.823652      2.914813
  H      -5.600545     -0.695059      4.084597
  H      -5.342621      1.047685      4.275630
  H      -6.033234      2.986690      0.251706
  H      -7.279791     -0.931170     -1.791774
  H      -7.296068     -3.336533     -1.109992
  H      -6.516433     -3.998119      1.159289
  H      -5.732279     -2.297390      2.761135
  H      -4.664562      5.972126      5.853184
  H      -3.369575      6.800003      6.721966
  H      -2.614778      7.796949      4.500902
  H      -4.224176      8.296325      5.049838
  H      -4.008622      7.717210      2.552293
  H      -3.731261      6.048076      3.015017
  H      -8.269669      7.011733      5.370026
  H      -9.610591      5.487023      1.249756
  H      -8.438778      5.009056     -0.906189
  H      -5.981144      5.353222     -1.096363
  H      -4.670520      6.138461      0.845253
  H      -5.991148      1.983093      7.939079
  H      -6.169400      2.166559      6.187072
  H      -6.313984      4.424382      8.257647
  H      -6.323135      4.681753      6.508495
  H      -8.405858      2.971766      7.987713
  H      -8.607940      4.677853      7.651933
  H      -7.750939      2.978977      2.838047
  H     -12.306247      2.533258      3.228531
  H     -13.926584      2.713763      5.124189
  H     -13.114245      3.233635      7.418379
  H     -10.709586      3.577841      7.849636
  N      -4.981434      3.499086      4.194823
  H      -5.023951      3.237635      3.194445
  H      -5.962561      3.580715      4.536308
98
Coordinates from ORCA-job orca E -6204.226177103709
  N      -2.344058      2.010651      4.523477
  Mo     -3.434994      3.430487      5.333929
  N      -4.363733      2.897219      6.969568
  C      -3.637880      2.965678      8.241571
  C      -2.204024      2.508940      8.020332
  N      -1.643609      3.211464      6.841214
  C      -0.590410      2.424532      6.157469
  C      -1.244841      1.388927      5.267221
  C      -1.164268      4.582291      7.164093
  C      -1.345064      5.434112      5.911385
  N      -2.722643      5.246847      5.460754
  H      -0.497531      0.985062      4.562788
  H      -1.611600      0.531000      5.862130
  H      -0.012239      3.119426      5.534136
  H       0.097482      1.964331      6.886893
  H      -1.146113      6.494900      6.130283
  H      -0.635834      5.129696      5.125583
  H      -1.798860      4.985240      7.965602
  H      -0.122294      4.555871      7.527373
  H      -4.115283      2.304141      8.984159
  H      -3.663967      3.987172      8.664247
  H      -2.205483      1.433162      7.796260
  H      -1.577143      2.675660      8.912763
  C      -2.748501      1.217417      3.351765
  C      -3.572074     -0.050010      3.655366
  C      -5.099010      0.179702      3.647797
  C      -5.617580      0.437607      2.260407
  N      -5.614848      1.698614      1.828565
  C      -6.049235      1.937435      0.560280
  N      -6.486111      1.057979     -0.314554
  C      -6.495584     -0.246476      0.095952
  C      -6.947615     -1.244636     -0.800625
  C      -6.951909     -2.568675     -0.414696
  C      -6.508513     -2.945135      0.875229
  C      -6.069558     -1.992281      1.771205
  C      -6.054177     -0.621628      1.406040
  C      -3.640642      6.356896      5.747185
  C      -3.644547      7.443270      4.667805
  C      -4.232762      6.975726      3.338571
  C      -5.723655      6.741340      3.343205
  N      -6.401748      6.993999      4.455435
  C      -7.747735      6.790631      4.433512
  N      -8.482407      6.364039      3.429139
  C      -7.809724      6.097167      2.267321
  C      -8.534950      5.631045      1.143514
  C      -7.878967      5.369143     -0.041329
  C      -6.480652      5.559244     -0.147764
  C      -5.748081      5.997759      0.937579
  C      -6.394529      6.275189      2.167748
  C      -5.807171      2.668548      7.091937
  C      -6.600719      3.967404      7.297985
  C      -8.114223      3.765163      7.277053
  C      -8.709553      3.441262      5.928155
  N      -7.902981      3.348186      4.878433
  C      -8.457218      3.052633      3.668823
  N      -9.726393      2.847048      3.401810
  C     -10.587589      2.952450      4.459770
  C     -11.972613      2.758927      4.240838
  C     -12.858624      2.860404      5.293319
  C     -12.397802      3.155561      6.597923
  C     -11.052465      3.347564      6.839263
  C     -10.118371      3.251442      5.777777
  H      -1.818995      0.928680      2.831341
  H      -3.306858      1.861704      2.659103
  H      -3.275832     -0.454895      4.634847
  H      -3.322240     -0.821830      2.911156
  H      -5.599004     -0.694409      4.084756
  H      -5.340874      1.048412      4.275221
  H      -6.033545      2.986550      0.251142
  H      -7.283504     -0.931540     -1.789872
  H      -7.299818     -3.336711     -1.107298
  H      -6.517772     -3.997814      1.161253
  H      -5.731417     -2.296750      2.761814
  H      -4.664233      5.972366      5.854279
  H      -3.368647      6.800002      6.722249
  H      -2.614816      7.796759      4.500900
  H      -4.223966      8.296366      5.050183
  H      -4.009390      7.717085      2.552847
  H      -3.731022      6.048027      3.015388
  H      -8.269912      7.011052      5.370574
  H      -9.610807      5.487861      1.249705
  H      -8.438922      5.010484     -0.906372
  H      -5.981171      5.353927     -1.096053
  H      -4.670501      6.137757      0.846026
  H      -5.991004      1.983309      7.938963
  H      -6.169212      2.166527      6.186859
  H      -6.314485      4.424348      8.257443
  H      -6.323291      4.681921      6.508349
  H      -8.405855      2.971303      7.987111
  H      -8.608226      4.677353      7.651355
  H      -7.750045      2.978993      2.837655
  H     -12.305473      2.533124      3.227063
  H     -13.926217      2.713360      5.122395
  H     -13.114307      3.232565      7.416909
  H     -10.709738      3.576555      7.848731
  N      -4.981242      3.499386      4.194583
  H      -5.023355      3.237915      3.194256
  H      -5.962548      3.581258      4.535633
