95
Coordinates from ORCA-job orca E -6715.245105796909
  N      -2.853599      0.599259      4.417623
  Mo     -3.589255      2.317473      5.090092
  N      -4.815774      1.477966      6.300806
  C      -4.357548      0.710089      7.439431
  C      -2.878398      0.368032      7.261797
  N      -2.185254      1.504309      6.625727
  C      -0.986100      1.040609      5.922120
  C      -1.434493      0.378464      4.595274
  C      -1.820716      2.499199      7.647248
  C      -1.844642      3.860654      6.962791
  N      -3.059299      3.847717      6.197332
  H      -0.865692      0.819607      3.763343
  H      -1.198911     -0.692034      4.635702
  H      -0.352872      1.904566      5.712836
  H      -0.424781      0.336478      6.548327
  H      -1.838725      4.665709      7.704432
  H      -0.969417      3.998636      6.305250
  H      -2.598461      2.507024      8.414310
  H      -0.853644      2.262370      8.102893
  H      -4.940409     -0.219152      7.550680
  H      -4.506292      1.295668      8.357895
  H      -2.782329     -0.507877      6.620080
  H      -2.414612      0.137291      8.227854
  C       0.212268     -1.725572     -2.051587
  C      -1.278315     -1.547563     -2.032408
  O      -1.922732     -1.538527     -3.072422
  C      -1.958928     -1.378921     -0.730846
  C      -3.341865     -1.191328     -0.768948
  C      -4.113316     -1.024731      0.367722
  O      -5.441038     -0.855998      0.222665
  C      -3.483466     -1.015554      1.642938
  C      -4.277564     -0.799203      2.831570
  O      -5.528020     -0.755723      2.775827
  C      -3.644933     -0.600592      4.212451
  C      -2.094682     -1.223977      1.675699
  C      -1.334137     -1.403342      0.537507
  O       0.002041     -1.606567      0.641939
  C      -9.917098      9.280628      5.868468
  C      -9.777715      8.007886      5.082694
  O     -10.733428      7.613960      4.382575
  C      -8.542461      7.258980      5.158663
  C      -7.504823      7.595305      6.048785
  C      -6.345385      6.862832      6.144056
  O      -5.364578      7.207840      7.019453
  C      -6.162066      5.713927      5.330322
  C      -5.042294      4.828113      5.430859
  O      -4.986529      3.784690      4.721164
  C      -3.863572      5.026980      6.326526
  C      -7.187952      5.391417      4.423405
  C      -8.350620      6.123265      4.326128
  O      -9.283313      5.726886      3.438118
  C     -12.470124      5.902705      6.665711
  C     -11.166845      6.243748      7.349174
  O     -11.088932      7.276398      8.007875
  C     -10.007552      5.340248      7.254799
  C      -8.952083      5.634942      8.128123
  C      -7.789573      4.894379      8.191545
  O      -6.834854      5.278166      9.058633
  C      -7.634752      3.766118      7.342181
  C      -6.388459      3.023367      7.365165
  O      -5.470411      3.319506      8.147206
  C      -6.202689      1.833884      6.422215
  C      -8.692805      3.465425      6.475523
  C      -9.849478      4.221938      6.405412
  O     -10.753218      3.810693      5.480532
  H       0.696419     -0.876479     -1.575808
  H       0.546675     -1.815567     -3.082506
  H       0.487226     -2.617696     -1.494281
  H      -3.829743     -1.185711     -1.731885
  H      -5.825590     -0.830538      1.137576
  H      -4.508913     -0.573336      4.895042
  H      -3.060089     -1.505717      4.430810
  H      -1.599347     -1.263065      2.630644
  H       0.262273     -1.603297      1.574183
  H     -10.051838      9.027189      6.920891
  H      -9.044153      9.916798      5.757857
  H     -10.805637      9.808435      5.528940
  H      -7.635591      8.442161      6.704969
  H      -5.665549      7.946656      7.566669
  H      -3.322806      5.943559      6.033930
  H      -4.184783      5.162999      7.369922
  H      -7.076818      4.524300      3.791899
  H     -10.052408      6.343839      3.551477
  H     -12.405074      6.184590      5.612206
  H     -12.731290      4.852787      6.772460
  H     -13.253606      6.514074      7.111248
  H      -9.061431      6.483746      8.786086
  H      -6.087021      4.633618      8.950150
  H      -6.590427      2.100185      5.436113
  H      -6.811023      1.005188      6.823087
  H      -8.638168      2.621169      5.808610
  H     -11.409274      4.496105      5.306591
  N      -2.501952      3.231702      3.503001
  N      -1.862843      3.769080      2.570119
  H      -0.861819      3.551035      2.625648
95
Coordinates from ORCA-job orca E -6715.263523786182
  N      -2.853812      0.541854      4.425982
  Mo     -3.579025      2.273618      5.110225
  N      -4.835343      1.448297      6.329937
  C      -4.377622      0.669442      7.475361
  C      -2.902578      0.312950      7.300232
  N      -2.191635      1.453490      6.661244
  C      -0.985515      0.979405      5.948278
  C      -1.429482      0.317510      4.613221
  C      -1.831388      2.464687      7.685295
  C      -1.845813      3.824368      6.993586
  N      -3.057664      3.819353      6.210654
  H      -0.849360      0.759381      3.785438
  H      -1.199985     -0.758278      4.646779
  H      -0.347097      1.845608      5.743128
  H      -0.425501      0.272619      6.580876
  H      -1.843698      4.635697      7.735033
  H      -0.958019      3.955058      6.346336
  H      -2.617982      2.474663      8.448369
  H      -0.865371      2.223834      8.152384
  H      -4.971658     -0.255688      7.588518
  H      -4.518975      1.258616      8.396743
  H      -2.805263     -0.565816      6.656395
  H      -2.439673      0.078551      8.270655
  C       0.270861     -1.642988     -2.119621
  C      -1.218334     -1.415428     -2.071097
  O      -1.866865     -1.339242     -3.111146
  C      -1.913123     -1.276669     -0.753965
  C      -3.291560     -1.039930     -0.810629
  C      -4.083292     -0.890322      0.322508
  O      -5.400889     -0.669188      0.162358
  C      -3.477376     -0.954682      1.611854
  C      -4.291220     -0.761386      2.800606
  O      -5.537213     -0.670429      2.724189
  C      -3.673901     -0.638633      4.199409
  C      -2.094562     -1.210779      1.666436
  C      -1.312517     -1.371991      0.531716
  O       0.022305     -1.625389      0.654906
  C     -10.135415      9.087013      5.512318
  C      -9.871306      7.830397      4.726152
  O     -10.757136      7.399435      3.944888
  C      -8.609538      7.129529      4.889100
  C      -7.636295      7.507192      5.843199
  C      -6.456650      6.808634      6.017445
  O      -5.547539      7.170254      6.971413
  C      -6.184831      5.659219      5.217682
  C      -5.051426      4.796044      5.385823
  O      -4.967700      3.728306      4.687054
  C      -3.885900      5.005088      6.310852
  C      -7.148395      5.295991      4.249924
  C      -8.331283      5.989321      4.080498
  O      -9.216814      5.544370      3.164766
  C     -12.363079      6.176553      6.968790
  C     -11.037228      6.433010      7.654067
  O     -10.907507      7.445787      8.348827
  C      -9.915827      5.473023      7.512706
  C      -8.829455      5.682573      8.379373
  C      -7.700978      4.883434      8.381830
  O      -6.689558      5.196850      9.220292
  C      -7.619870      3.775537      7.485826
  C      -6.395990      2.990036      7.458775
  O      -5.460593      3.228967      8.259722
  C      -6.230669      1.828115      6.463398
  C      -8.708817      3.557490      6.623479
  C      -9.827664      4.381732      6.606265
  O     -10.761568      4.075297      5.660513
  H       0.798128     -0.829488     -1.609308
  H       0.587097     -1.696827     -3.165484
  H       0.529623     -2.573917     -1.603214
  H      -3.761121     -0.978372     -1.790078
  H      -5.791829     -0.657741      1.083732
  H      -4.547019     -0.607868      4.871511
  H      -3.110670     -1.566463      4.405245
  H      -1.616017     -1.304388      2.638158
  H       0.257332     -1.665573      1.597883
  H     -10.344134      8.806248      6.556921
  H      -9.282729      9.773168      5.482958
  H     -11.023568      9.579233      5.105471
  H      -7.838035      8.356604      6.493924
  H      -5.914416      7.897162      7.502989
  H      -3.341800      5.925257      6.021101
  H      -4.226614      5.151870      7.349063
  H      -6.973294      4.417591      3.634526
  H     -10.025486      6.126367      3.272942
  H     -12.291376      6.489720      5.915351
  H     -12.676071      5.128511      7.039806
  H     -13.119230      6.811827      7.441032
  H      -8.881244      6.519650      9.071595
  H      -5.981787      4.511107      9.049114
  H      -6.622960      2.122048      5.482425
  H      -6.849538      0.994245      6.842767
  H      -8.700959      2.738588      5.908666
  H     -11.359836      4.826677      5.511676
  N      -2.458110      3.155036      3.547265
  N      -1.816311      3.665334      2.643782
  H      -0.792970      3.449532      2.727917
95
Coordinates from ORCA-job orca E -6715.271479864723
  N      -2.837677      0.498869      4.474155
  Mo     -3.509511      2.261636      5.179939
  N      -4.768623      1.477805      6.455691
  C      -4.277583      0.708515      7.608394
  C      -2.816850      0.320021      7.391445
  N      -2.096781      1.442247      6.707635
  C      -0.916670      0.934475      5.949251
  C      -1.406761      0.260540      4.630531
  C      -1.695434      2.479529      7.705034
  C      -1.708237      3.825623      6.989350
  N      -2.941638      3.832331      6.232342
  H      -0.837138      0.685694      3.783867
  H      -1.195289     -0.822122      4.662548
  H      -0.272790      1.793437      5.716905
  H      -0.344628      0.229450      6.579036
  H      -1.676490      4.651708      7.718975
  H      -0.829197      3.931148      6.322147
  H      -2.464621      2.507371      8.488695
  H      -0.719091      2.228480      8.153268
  H      -4.880829     -0.208179      7.754649
  H      -4.382825      1.315291      8.524622
  H      -2.746107     -0.570330      6.754918
  H      -2.322664      0.092346      8.351510
  C       0.086739     -1.613949     -2.201223
  C      -1.387733     -1.300982     -2.098708
  O      -2.055156     -1.140058     -3.120605
  C      -2.059794     -1.177271     -0.751847
  C      -3.423843     -0.856251     -0.776856
  C      -4.188930     -0.707746      0.382598
  O      -5.492968     -0.402120      0.264997
  C      -3.563181     -0.866291      1.657040
  C      -4.353090     -0.681323      2.871946
  O      -5.589967     -0.510006      2.813217
  C      -3.708242     -0.649757      4.265002
  C      -2.195468     -1.205608      1.680411
  C      -1.442151     -1.363772      0.519659
  O      -0.113428     -1.702342      0.593247
  C     -10.020562      9.173791      5.568303
  C      -9.780601      7.889374      4.811655
  O     -10.705502      7.437651      4.073252
  C      -8.516547      7.176636      4.948988
  C      -7.509091      7.560324      5.872133
  C      -6.334203      6.840571      6.030278
  O      -5.387072      7.184943      6.965560
  C      -6.097005      5.669679      5.242540
  C      -4.967603      4.803535      5.417038
  O      -4.894669      3.700903      4.733496
  C      -3.778606      5.026162      6.318372
  C      -7.091912      5.299257      4.299997
  C      -8.273003      6.011869      4.150043
  O      -9.192403      5.578114      3.262198
  C     -12.506835      5.863377      6.618832
  C     -11.232850      6.248218      7.349788
  O     -11.195730      7.323026      7.968972
  C     -10.046796      5.348570      7.331775
  C      -9.012056      5.685420      8.226740
  C      -7.839116      4.953594      8.328499
  O      -6.880532      5.384400      9.181113
  C      -7.657152      3.787941      7.508229
  C      -6.396146      3.061102      7.553006
  O      -5.477153      3.379812      8.366159
  C      -6.172412      1.864267      6.602444
  C      -8.696406      3.447000      6.616742
  C      -9.860129      4.202244      6.501980
  O     -10.737685      3.778646      5.536472
  H       0.683610     -0.856667     -1.666603
  H       0.368085     -1.637043     -3.262523
  H       0.310156     -2.585411     -1.730210
  H      -3.903480     -0.723505     -1.750940
  H      -5.849402     -0.398714      1.209284
  H      -4.565790     -0.598044      4.956135
  H      -3.175008     -1.604951      4.444966
  H      -1.703421     -1.370778      2.644418
  H       0.133530     -1.796742      1.532471
  H     -10.194489      8.941620      6.631584
  H      -9.165023      9.863128      5.492817
  H     -10.923403      9.656253      5.169908
  H      -7.682101      8.426594      6.520645
  H      -5.733285      7.920974      7.504923
  H      -3.234582      5.940640      6.000055
  H      -4.095901      5.199124      7.362452
  H      -6.942077      4.403056      3.693665
  H      -9.980805      6.204535      3.396108
  H     -12.400436      6.095850      5.539185
  H     -12.765515      4.799892      6.750142
  H     -13.326239      6.487229      7.001709
  H      -9.143518      6.569477      8.856731
  H      -6.136033      4.707456      9.079106
  H      -6.581971      2.109643      5.612012
  H      -6.768883      1.022868      7.005078
  H      -8.603645      2.583061      5.951769
  H     -11.364593      4.492568      5.308971
  N      -2.392300      3.068157      3.606331
  N      -1.771741      3.534353      2.705704
  H      -0.721434      3.333040      2.782626
95
Coordinates from ORCA-job orca E -6715.276416695339
  N      -2.846723      0.450650      4.477271
  Mo     -3.534130      2.217527      5.181432
  N      -4.802833      1.446239      6.471667
  C      -4.302624      0.688583      7.627340
  C      -2.842769      0.301700      7.406610
  N      -2.124450      1.423779      6.717216
  C      -0.940578      0.918899      5.961136
  C      -1.417489      0.228007      4.647980
  C      -1.740662      2.482135      7.701587
  C      -1.766967      3.823527      6.976911
  N      -2.991870      3.814460      6.209378
  H      -0.843315      0.648301      3.802427
  H      -1.200516     -0.853167      4.687908
  H      -0.306025      1.783282      5.726803
  H      -0.363177      0.228236      6.600491
  H      -1.751675      4.652948      7.702596
  H      -0.882638      3.938468      6.319203
  H      -2.513697      2.501041      8.480883
  H      -0.765120      2.244115      8.156757
  H      -4.904251     -0.226318      7.785570
  H      -4.404818      1.304833      8.537681
  H      -2.763303     -0.588556      6.771492
  H      -2.343313      0.081623      8.364964
  C       0.144124     -1.538187     -2.168296
  C      -1.320757     -1.185619     -2.090216
  O      -1.959904     -0.969849     -3.118342
  C      -2.018369     -1.089342     -0.753565
  C      -3.370000     -0.728210     -0.788883
  C      -4.146315     -0.599748      0.366410
  O      -5.439582     -0.254717      0.246889
  C      -3.540257     -0.824912      1.639971
  C      -4.344053     -0.668228      2.850690
  O      -5.572351     -0.449184      2.778965
  C      -3.715044     -0.692789      4.249666
  C      -2.183655     -1.203728      1.670731
  C      -1.423274     -1.340038      0.513881
  O      -0.103581     -1.719026      0.578650
  C     -10.139856      9.010353      5.362959
  C      -9.853924      7.742484      4.599121
  O     -10.744947      7.290084      3.818039
  C      -8.591307      7.044685      4.771571
  C      -7.620716      7.442225      5.726069
  C      -6.445761      6.737653      5.921271
  O      -5.532128      7.089532      6.887569
  C      -6.169458      5.567487      5.145472
  C      -5.034995      4.726731      5.362547
  O      -4.931826      3.614081      4.689383
  C      -3.863521      4.984045      6.278474
  C      -7.128401      5.179541      4.172338
  C      -8.310556      5.880011      3.981385
  O      -9.197463      5.440254      3.065117
  C     -12.366255      6.119614      6.827371
  C     -11.075067      6.410374      7.568147
  O     -10.991155      7.448854      8.240409
  C      -9.927738      5.464190      7.505251
  C      -8.874001      5.721939      8.403490
  C      -7.733424      4.936051      8.461973
  O      -6.741625      5.279352      9.316769
  C      -7.610408      3.800713      7.594610
  C      -6.379796      3.030775      7.608935
  O      -5.456797      3.290312      8.439418
  C      -6.193735      1.858100      6.628815
  C      -8.667409      3.538980      6.697361
  C      -9.797374      4.346990      6.626534
  O     -10.701686      3.998218      5.654951
  H       0.749995     -0.821418     -1.591748
  H       0.448988     -1.532208     -3.221695
  H       0.329467     -2.529385     -1.725066
  H      -3.828152     -0.546084     -1.763279
  H      -5.800823     -0.267472      1.191709
  H      -4.576062     -0.651106      4.936550
  H      -3.184301     -1.650743      4.414878
  H      -1.709181     -1.418646      2.631515
  H       0.128908     -1.855822      1.515133
  H     -10.350516      8.762991      6.417514
  H      -9.292228      9.711066      5.333032
  H     -11.031071      9.487160      4.936088
  H      -7.823547      8.305713      6.366840
  H      -5.911856      7.812652      7.419864
  H      -3.340329      5.911792      5.965949
  H      -4.194352      5.150509      7.319442
  H      -6.947789      4.284461      3.576208
  H      -9.994272      6.069174      3.178212
  H     -12.255779      6.397400      5.759892
  H     -12.670999      5.064514      6.903800
  H     -13.155477      6.759194      7.242840
  H      -8.962708      6.584751      9.066600
  H      -6.038032      4.563969      9.170305
  H      -6.600926      2.131267      5.645984
  H      -6.804193      1.018040      7.012631
  H      -8.612708      2.704607      5.995763
  H     -11.289934      4.749390      5.458087
  N      -2.401550      2.985771      3.624173
  N      -1.770708      3.437844      2.717903
  H      -0.706695      3.306753      2.820581
95
Coordinates from ORCA-job orca E -6715.279965195835
  N      -2.863109      0.420237      4.492170
  Mo     -3.536731      2.197648      5.202605
  N      -4.801586      1.448947      6.521275
  C      -4.283341      0.707430      7.675852
  C      -2.832190      0.307069      7.431711
  N      -2.114193      1.414901      6.722926
  C      -0.945670      0.896054      5.955570
  C      -1.437915      0.191593      4.658484
  C      -1.717760      2.487577      7.685549
  C      -1.751715      3.821787      6.949815
  N      -2.980076      3.811330      6.193880
  H      -0.864432      0.595067      3.804436
  H      -1.229818     -0.890665      4.708066
  H      -0.311742      1.755888      5.706871
  H      -0.362604      0.213272      6.596921
  H      -1.728854      4.655028      7.670040
  H      -0.872381      3.933554      6.285648
  H      -2.480581      2.510949      8.473978
  H      -0.738443      2.251143      8.131531
  H      -4.886197     -0.202080      7.856483
  H      -4.367799      1.335911      8.579023
  H      -2.766374     -0.585493      6.799456
  H      -2.315970      0.090238      8.381219
  C       0.122388     -1.497438     -2.152433
  C      -1.326431     -1.092448     -2.067670
  O      -1.949755     -0.815970     -3.088891
  C      -2.031914     -1.014204     -0.733973
  C      -3.365105     -0.597554     -0.772210
  C      -4.148227     -0.475524      0.378728
  O      -5.425003     -0.077260      0.256129
  C      -3.563501     -0.767711      1.648363
  C      -4.369225     -0.622434      2.859088
  O      -5.585614     -0.342061      2.792488
  C      -3.742128     -0.709044      4.254210
  C      -2.224622     -1.202421      1.680973
  C      -1.460730     -1.331102      0.528491
  O      -0.158524     -1.765528      0.592717
  C     -10.086042      9.017470      5.304828
  C      -9.815104      7.739445      4.555395
  O     -10.711507      7.288187      3.779290
  C      -8.565680      7.030671      4.730533
  C      -7.585982      7.440771      5.667285
  C      -6.422598      6.727845      5.871440
  O      -5.500807      7.096136      6.822782
  C      -6.163245      5.534462      5.123370
  C      -5.037701      4.693270      5.358885
  O      -4.937261      3.569521      4.696430
  C      -3.862397      4.968647      6.263646
  C      -7.131961      5.133711      4.166076
  C      -8.306623      5.843211      3.966727
  O      -9.209741      5.392049      3.073385
  C     -12.386559      6.051303      6.824893
  C     -11.091031      6.374189      7.540358
  O     -11.005479      7.439247      8.164804
  C      -9.937429      5.436462      7.503237
  C      -8.881136      5.727469      8.387275
  C      -7.734970      4.950066      8.461195
  O      -6.739647      5.314418      9.302130
  C      -7.608929      3.797646      7.620538
  C      -6.374719      3.038706      7.645641
  O      -5.453233      3.318580      8.469247
  C      -6.185732      1.860788      6.683905
  C      -8.667750      3.505505      6.736029
  C      -9.804156      4.299656      6.654953
  O     -10.709712      3.919944      5.697801
  H       0.751916     -0.829089     -1.547819
  H       0.431194     -1.464508     -3.202914
  H       0.268675     -2.507643     -1.744184
  H      -3.801983     -0.364888     -1.743673
  H      -5.796860     -0.100848      1.197732
  H      -4.597740     -0.672341      4.948344
  H      -3.219176     -1.673126      4.394880
  H      -1.769656     -1.466782      2.636809
  H       0.053827     -1.942479      1.526719
  H     -10.295873      8.793462      6.364158
  H      -9.231460      9.706730      5.266382
  H     -10.969875      9.499581      4.872111
  H      -7.773246      8.320697      6.286544
  H      -5.878993      7.826457      7.344817
  H      -3.351976      5.900572      5.945666
  H      -4.182402      5.134325      7.307890
  H      -6.966533      4.222204      3.593941
  H     -10.003725      6.028082      3.189073
  H     -12.289498      6.280182      5.746416
  H     -12.688405      5.001290      6.946185
  H     -13.172296      6.706329      7.218807
  H      -8.973722      6.606587      9.024898
  H      -6.033911      4.595516      9.167986
  H      -6.600606      2.118141      5.701548
  H      -6.787827      1.018656      7.077247
  H      -8.607048      2.659970      6.052477
  H     -11.292816      4.666340      5.475207
  N      -2.411164      2.911841      3.641603
  N      -1.781688      3.342846      2.713697
  H      -0.716246      3.282328      2.832771
95
Coordinates from ORCA-job orca E -6715.282606157490
  N      -2.873045      0.388428      4.508164
  Mo     -3.541332      2.173832      5.226511
  N      -4.800332      1.442535      6.572508
  C      -4.260657      0.713538      7.722078
  C      -2.817509      0.304421      7.452088
  N      -2.102210      1.402841      6.727684
  C      -0.946052      0.874969      5.950284
  C      -1.450985      0.155712      4.669388
  C      -1.696234      2.487598      7.672585
  C      -1.745532      3.816905      6.930244
  N      -2.978377      3.802077      6.186476
  H      -0.877780      0.542618      3.806456
  H      -1.248672     -0.927446      4.729998
  H      -0.314502      1.732296      5.687551
  H      -0.354928      0.200377      6.593163
  H      -1.717591      4.651590      7.648998
  H      -0.871828      3.932224      6.258771
  H      -2.447398      2.511630      8.472131
  H      -0.710812      2.256005      8.107915
  H      -4.861660     -0.193295      7.924084
  H      -4.326715      1.349890      8.621199
  H      -2.766350     -0.588205      6.818812
  H      -2.284183      0.086496      8.392199
  C       0.098048     -1.459213     -2.156399
  C      -1.331285     -0.996019     -2.056739
  O      -1.938299     -0.653491     -3.067054
  C      -2.039770     -0.938408     -0.722939
  C      -3.351586     -0.460495     -0.752867
  C      -4.135227     -0.346123      0.398305
  O      -5.391732      0.114358      0.286907
  C      -3.571743     -0.712076      1.656507
  C      -4.379945     -0.577725      2.866224
  O      -5.581623     -0.237388      2.803630
  C      -3.759337     -0.729703      4.257138
  C      -2.254564     -1.208651      1.681675
  C      -1.491137     -1.328494      0.529152
  O      -0.210245     -1.823490      0.584565
  C     -10.087570      8.976865      5.242896
  C      -9.831114      7.676206      4.529343
  O     -10.744663      7.200362      3.787782
  C      -8.582465      6.971666      4.702903
  C      -7.597598      7.401777      5.624129
  C      -6.437798      6.691077      5.839616
  O      -5.511940      7.086803      6.775093
  C      -6.183168      5.477770      5.119203
  C      -5.056063      4.645768      5.368611
  O      -4.951267      3.513880      4.713553
  C      -3.877995      4.943636      6.262786
  C      -7.157473      5.057801      4.176317
  C      -8.329177      5.767988      3.962499
  O      -9.229422      5.311870      3.070210
  C     -12.348660      6.065324      6.772220
  C     -11.065303      6.393565      7.504544
  O     -10.994410      7.459508      8.126088
  C      -9.910266      5.456849      7.495972
  C      -8.861266      5.759919      8.384076
  C      -7.716080      4.981125      8.479827
  O      -6.732949      5.350679      9.331437
  C      -7.584629      3.818755      7.652293
  C      -6.354754      3.050789      7.691830
  O      -5.431299      3.334130      8.510471
  C      -6.176210      1.865028      6.745654
  C      -8.637595      3.517124      6.764346
  C      -9.773116      4.309006      6.667475
  O     -10.680839      3.909083      5.721423
  H       0.754400     -0.845503     -1.524183
  H       0.409895     -1.397044     -3.204438
  H       0.200980     -2.489205     -1.787957
  H      -3.769532     -0.170781     -1.716887
  H      -5.767156      0.079815      1.226307
  H      -4.610778     -0.704319      4.957761
  H      -3.240327     -1.698063      4.371367
  H      -1.818677     -1.528000      2.629252
  H      -0.015020     -2.044841      1.513018
  H     -10.270494      8.795622      6.315464
  H      -9.235225      9.664924      5.162700
  H     -10.980134      9.444696      4.813178
  H      -7.779204      8.296069      6.223091
  H      -5.895522      7.821252      7.287307
  H      -3.388221      5.885807      5.943453
  H      -4.188604      5.101641      7.311986
  H      -6.995180      4.134790      3.622372
  H     -10.007765      5.974431      3.149884
  H     -12.238620      6.287131      5.694178
  H     -12.650899      5.015440      6.891080
  H     -13.140401      6.721688      7.150495
  H      -8.959867      6.648177      9.007248
  H      -6.026270      4.626297      9.218702
  H      -6.597705      2.114811      5.764466
  H      -6.779822      1.026494      7.147138
  H      -8.572552      2.663870      6.091795
  H     -11.262180      4.651687      5.482688
  N      -2.436486      2.835984      3.661270
  N      -1.821452      3.246530      2.712068
  H      -0.763083      3.252623      2.842114
95
Coordinates from ORCA-job orca E -6715.284895140027
  N      -2.879459      0.372237      4.521909
  Mo     -3.537002      2.169562      5.237431
  N      -4.789386      1.453338      6.606248
  C      -4.234240      0.736551      7.753256
  C      -2.799205      0.317418      7.463594
  N      -2.083773      1.404057      6.723773
  C      -0.939932      0.860006      5.942366
  C      -1.461378      0.123983      4.679661
  C      -1.662737      2.496389      7.653008
  C      -1.720146      3.820516      6.902681
  N      -2.958078      3.806070      6.169593
  H      -0.885633      0.485890      3.806445
  H      -1.271695     -0.960606      4.757925
  H      -0.305525      1.709761      5.662129
  H      -0.345262      0.191439      6.588710
  H      -1.683023      4.657627      7.618733
  H      -0.851399      3.933364      6.223685
  H      -2.401614      2.528327      8.463678
  H      -0.672187      2.266098      8.077826
  H      -4.833116     -0.167767      7.975238
  H      -4.284745      1.380252      8.648210
  H      -2.766745     -0.576683      6.831172
  H      -2.253443      0.096535      8.396246
  C       0.082597     -1.483288     -2.138553
  C      -1.322736     -0.951430     -2.044003
  O      -1.898766     -0.550531     -3.051361
  C      -2.040416     -0.897823     -0.716356
  C      -3.326446     -0.353248     -0.738717
  C      -4.110473     -0.234828      0.411475
  O      -5.341397      0.292686      0.309834
  C      -3.575159     -0.666452      1.659730
  C      -4.386060     -0.526433      2.866566
  O      -5.567635     -0.120390      2.805537
  C      -3.777840     -0.732092      4.255398
  C      -2.284645     -1.229980      1.677341
  C      -1.520752     -1.353050      0.525311
  O      -0.266548     -1.912301      0.571177
  C     -10.041164      9.003127      5.242791
  C      -9.804100      7.694834      4.536393
  O     -10.721874      7.233973      3.790789
  C      -8.562724      6.976860      4.708179
  C      -7.563034      7.411364      5.611589
  C      -6.406664      6.694499      5.823331
  O      -5.464718      7.101390      6.737145
  C      -6.170089      5.468761      5.117934
  C      -5.046450      4.633838      5.371340
  O      -4.948644      3.494807      4.725580
  C      -3.863280      4.942047      6.254864
  C      -7.159227      5.044612      4.193086
  C      -8.327823      5.761024      3.982527
  O      -9.243958      5.297274      3.111513
  C     -12.400361      5.985984      6.750132
  C     -11.113537      6.347081      7.460633
  O     -11.049253      7.430838      8.050456
  C      -9.947525      5.423065      7.471479
  C      -8.899691      5.760810      8.348291
  C      -7.744236      4.998913      8.460278
  O      -6.768182      5.396431      9.306218
  C      -7.597159      3.823077      7.655851
  C      -6.355464      3.070841      7.709380
  O      -5.437648      3.381603      8.522064
  C      -6.165452      1.870832      6.784599
  C      -8.648830      3.486434      6.780010
  C      -9.798286      4.256868      6.671944
  O     -10.706630      3.815329      5.745824
  H       0.759206     -0.922245     -1.478926
  H       0.413080     -1.407186     -3.179803
  H       0.128259     -2.527308     -1.798203
  H      -3.722202     -0.012294     -1.695255
  H      -5.723335      0.251150      1.244695
  H      -4.628236     -0.713142      4.958043
  H      -3.267255     -1.706420      4.348467
  H      -1.871775     -1.598155      2.617460
  H      -0.087246     -2.172720      1.492524
  H     -10.222599      8.835709      6.317704
  H      -9.179042      9.678272      5.155571
  H     -10.927152      9.481647      4.811200
  H      -7.728168      8.318016      6.196435
  H      -5.840386      7.838839      7.250808
  H      -3.386145      5.889999      5.934044
  H      -4.165657      5.095070      7.308479
  H      -7.012438      4.111261      3.652025
  H     -10.022350      5.955578      3.202462
  H     -12.303338      6.175403      5.664630
  H     -12.694026      4.938091      6.903014
  H     -13.193154      6.648227      7.115737
  H      -9.009241      6.662282      8.950619
  H      -6.049603      4.684530      9.205556
  H      -6.594474      2.102077      5.802071
  H      -6.762109      1.032524      7.198470
  H      -8.573831      2.619738      6.125932
  H     -11.298198      4.541710      5.483705
  N      -2.460265      2.774888      3.656450
  N      -1.868273      3.161344      2.682489
  H      -0.822166      3.237891      2.819391
95
Coordinates from ORCA-job orca E -6715.287087438312
  N      -2.894200      0.364489      4.523352
  Mo     -3.545487      2.172895      5.230760
  N      -4.783924      1.458768      6.619413
  C      -4.214190      0.751413      7.762768
  C      -2.785575      0.329105      7.454817
  N      -2.074178      1.409767      6.702893
  C      -0.940319      0.852737      5.918349
  C      -1.479579      0.098820      4.674537
  C      -1.639709      2.505879      7.621669
  C      -1.707338      3.827723      6.867449
  N      -2.950922      3.813309      6.143379
  H      -0.903617      0.434390      3.789955
  H      -1.302663     -0.986510      4.771927
  H      -0.305037      1.695531      5.619326
  H      -0.340567      0.190449      6.566749
  H      -1.663163      4.665460      7.582837
  H      -0.843532      3.941076      6.181740
  H      -2.365884      2.542844      8.443532
  H      -0.643492      2.278146      8.034775
  H      -4.807245     -0.152935      8.002094
  H      -4.252019      1.399630      8.655633
  H      -2.770957     -0.564694      6.821288
  H      -2.228532      0.103292      8.379810
  C       0.118898     -1.543458     -2.097971
  C      -1.262401     -0.947742     -2.021135
  O      -1.798052     -0.500788     -3.032148
  C      -2.001107     -0.886683     -0.707096
  C      -3.260017     -0.280716     -0.739539
  C      -4.059171     -0.148023      0.398314
  O      -5.260673      0.441039      0.282275
  C      -3.569395     -0.629679      1.648251
  C      -4.390504     -0.475223      2.847567
  O      -5.549847     -0.008463      2.785391
  C      -3.803192     -0.726344      4.237027
  C      -2.306743     -1.254035      1.675118
  C      -1.527347     -1.390691      0.534263
  O      -0.302669     -2.009447      0.593329
  C     -10.046482      9.013569      5.253102
  C      -9.813823      7.698282      4.557593
  O     -10.740120      7.223439      3.833371
  C      -8.567258      6.984362      4.722537
  C      -7.555678      7.424660      5.610475
  C      -6.397905      6.705695      5.817125
  O      -5.445535      7.118783      6.716986
  C      -6.173297      5.473467      5.119935
  C      -5.050402      4.634564      5.371208
  O      -4.960880      3.492899      4.731629
  C      -3.860523      4.946023      6.244956
  C      -7.173648      5.045972      4.209623
  C      -8.342248      5.763820      4.005180
  O      -9.269262      5.295888      3.147730
  C     -12.418272      5.970546      6.755328
  C     -11.130606      6.333050      7.464592
  O     -11.060497      7.424056      8.041123
  C      -9.966096      5.406418      7.480781
  C      -8.915324      5.754557      8.349852
  C      -7.757675      4.997201      8.464382
  O      -6.781036      5.404431      9.304625
  C      -7.608163      3.817283      7.668542
  C      -6.359128      3.073085      7.725577
  O      -5.443112      3.401679      8.530783
  C      -6.162415      1.866035      6.808774
  C      -8.662088      3.468410      6.801405
  C      -9.817153      4.232034      6.692305
  O     -10.728526      3.775199      5.776629
  H       0.805999     -1.027469     -1.412443
  H       0.476143     -1.463012     -3.130177
  H       0.107372     -2.595208     -1.778398
  H      -3.621548      0.098902     -1.695353
  H      -5.666007      0.399469      1.206620
  H      -4.656559     -0.714532      4.936403
  H      -3.300333     -1.705976      4.311561
  H      -1.928145     -1.658035      2.615483
  H      -0.152635     -2.297608      1.511534
  H     -10.206040      8.858467      6.332858
  H      -9.190155      9.692786      5.140306
  H     -10.943184      9.481879      4.832271
  H      -7.712273      8.337486      6.188405
  H      -5.816229      7.854691      7.236431
  H      -3.394999      5.900159      5.926615
  H      -4.156018      5.089615      7.302804
  H      -7.036667      4.107058      3.674972
  H     -10.042904      5.955243      3.238697
  H     -12.317341      6.147365      5.667692
  H     -12.719293      4.926414      6.920479
  H     -13.207222      6.642390      7.112194
  H      -9.024216      6.662174      8.943607
  H      -6.058629      4.700926      9.204660
  H      -6.602188      2.087035      5.828343
  H      -6.751125      1.026695      7.231825
  H      -8.586230      2.597344      6.152729
  H     -11.322481      4.495190      5.501837
  N      -2.509042      2.723667      3.623127
  N      -1.952744      3.089509      2.618248
  H      -0.917925      3.237132      2.744737
95
Coordinates from ORCA-job orca E -6715.289377600817
  N      -2.901493      0.358804      4.533697
  Mo     -3.557646      2.179657      5.221380
  N      -4.779873      1.456025      6.624905
  C      -4.199837      0.756066      7.765911
  C      -2.774627      0.337503      7.445521
  N      -2.069006      1.418065      6.686616
  C      -0.938934      0.851919      5.904123
  C      -1.490797      0.076278      4.679373
  C      -1.628115      2.515972      7.601007
  C      -1.706037      3.837590      6.846168
  N      -2.952371      3.821442      6.123797
  H      -0.914000      0.383193      3.783784
  H      -1.325945     -1.008837      4.799928
  H      -0.304976      1.689178      5.586826
  H      -0.334192      0.197894      6.556454
  H      -1.661205      4.674593      7.562873
  H      -0.843939      3.955011      6.158670
  H      -2.345234      2.553815      8.430924
  H      -0.627259      2.293372      8.005967
  H      -4.784278     -0.150706      8.019061
  H      -4.230527      1.406796      8.658142
  H      -2.774183     -0.554359      6.809016
  H      -2.209712      0.106024      8.364454
  C       0.145793     -1.611267     -2.081758
  C      -1.207367     -0.950449     -2.008420
  O      -1.708129     -0.458123     -3.017366
  C      -1.956952     -0.881196     -0.702905
  C      -3.186266     -0.213760     -0.735622
  C      -3.992658     -0.065726      0.394495
  O      -5.161947      0.586438      0.277003
  C      -3.545820     -0.595990      1.641033
  C      -4.376813     -0.425774      2.832244
  O      -5.510524      0.099610      2.763866
  C      -3.817899     -0.719679      4.224335
  C      -2.314560     -1.280750      1.668635
  C      -1.525546     -1.432727      0.534727
  O      -0.334787     -2.112597      0.600848
  C     -10.066380      9.021894      5.251077
  C      -9.834960      7.705080      4.557313
  O     -10.758939      7.231299      3.832390
  C      -8.583946      6.991475      4.725460
  C      -7.570243      7.435354      5.609845
  C      -6.408776      6.717673      5.818364
  O      -5.454822      7.135191      6.714347
  C      -6.185330      5.484956      5.123853
  C      -5.060923      4.642212      5.373425
  O      -4.977598      3.501501      4.739120
  C      -3.867257      4.951773      6.243915
  C      -7.187098      5.054239      4.218059
  C      -8.357667      5.768854      4.013158
  O      -9.283824      5.290570      3.159475
  C     -12.416387      5.969215      6.766480
  C     -11.129642      6.331161      7.478770
  O     -11.056626      7.422595      8.055902
  C      -9.968742      5.398878      7.497023
  C      -8.917086      5.748726      8.363916
  C      -7.760018      4.991977      8.481340
  O      -6.788526      5.405980      9.324434
  C      -7.608914      3.809886      7.687852
  C      -6.356286      3.064694      7.744045
  O      -5.437257      3.397982      8.541320
  C      -6.161154      1.853845      6.827034
  C      -8.663619      3.458241      6.823894
  C      -9.821465      4.220060      6.713295
  O     -10.735977      3.755294      5.804318
  H       0.847562     -1.142064     -1.377030
  H       0.521464     -1.528123     -3.107634
  H       0.077288     -2.667898     -1.785130
  H      -3.517485      0.204218     -1.687053
  H      -5.580472      0.548584      1.194389
  H      -4.677643     -0.715281      4.915749
  H      -3.321689     -1.703802      4.283527
  H      -1.967804     -1.720486      2.605879
  H      -0.211886     -2.428202      1.514153
  H     -10.222150      8.865569      6.330555
  H      -9.209984      9.700904      5.132354
  H     -10.965040      9.489402      4.832762
  H      -7.726617      8.351861      6.183275
  H      -5.826088      7.866206      7.240537
  H      -3.411822      5.912840      5.933727
  H      -4.162603      5.081978      7.304354
  H      -7.051225      4.112923      3.686197
  H     -10.061643      5.941031      3.247400
  H     -12.308117      6.143141      5.678604
  H     -12.721384      4.926465      6.936092
  H     -13.204400      6.645179      7.118920
  H      -9.024236      6.659101      8.954631
  H      -6.061870      4.710195      9.229529
  H      -6.612068      2.072848      5.850547
  H      -6.745625      1.015350      7.256752
  H      -8.588705      2.585300      6.176278
  H     -11.331597      4.471231      5.521063
  N      -2.573596      2.670011      3.579374
  N      -2.071922      3.017097      2.537002
  H      -1.045634      3.227005      2.630971
95
Coordinates from ORCA-job orca E -6715.291470511271
  N      -2.909841      0.344569      4.550898
  Mo     -3.578056      2.180768      5.208809
  N      -4.779774      1.442585      6.627885
  C      -4.190155      0.750860      7.768583
  C      -2.765217      0.340507      7.439256
  N      -2.070272      1.424311      6.672728
  C      -0.941093      0.853630      5.892055
  C      -1.502579      0.051524      4.688994
  C      -1.628185      2.525457      7.583287
  C      -1.715285      3.845553      6.826779
  N      -2.962676      3.825137      6.102794
  H      -0.927767      0.330002      3.781973
  H      -1.346764     -1.032077      4.835118
  H      -0.314419      1.688486      5.554434
  H      -0.327754      0.212646      6.549131
  H      -1.673872      4.683455      7.542791
  H      -0.853556      3.966402      6.139748
  H      -2.339153      2.561406      8.418944
  H      -0.623264      2.309818      7.982049
  H      -4.764946     -0.158721      8.034250
  H      -4.217371      1.405661      8.658506
  H      -2.772017     -0.550222      6.801401
  H      -2.191820      0.108866      8.352777
  C       0.183301     -1.660356     -2.060230
  C      -1.141419     -0.941733     -1.988732
  O      -1.605378     -0.404374     -2.992919
  C      -1.904253     -0.869353     -0.692511
  C      -3.103191     -0.146086     -0.723838
  C      -3.917631      0.012114      0.398274
  O      -5.055403      0.719835      0.282623
  C      -3.514100     -0.565813      1.638660
  C      -4.355751     -0.382539      2.821368
  O      -5.460004      0.201501      2.745788
  C      -3.831139     -0.720940      4.215467
  C      -2.315177     -1.305266      1.664776
  C      -1.516530     -1.468063      0.537907
  O      -0.359610     -2.203801      0.605968
  C     -10.091960      9.027757      5.239163
  C      -9.861982      7.706100      4.553391
  O     -10.786916      7.220786      3.840903
  C      -8.605192      6.997003      4.722732
  C      -7.589124      7.447995      5.599673
  C      -6.424767      6.731927      5.810254
  O      -5.467274      7.154636      6.699625
  C      -6.204092      5.496645      5.122151
  C      -5.078206      4.650120      5.370367
  O      -5.003819      3.509355      4.744761
  C      -3.880445      4.954968      6.237714
  C      -7.208016      5.058099      4.223877
  C      -8.380475      5.769928      4.018703
  O      -9.307888      5.281008      3.170707
  C     -12.401625      5.990580      6.799121
  C     -11.110299      6.345167      7.506864
  O     -11.024984      7.436431      8.082795
  C      -9.957892      5.400720      7.520185
  C      -8.898262      5.743298      8.380287
  C      -7.747015      4.977485      8.491877
  O      -6.766466      5.387276      9.328311
  C      -7.609440      3.793768      7.699939
  C      -6.357810      3.044173      7.753678
  O      -5.437068      3.382702      8.544473
  C      -6.164353      1.828521      6.838877
  C      -8.670925      3.448247      6.842753
  C      -9.824788      4.218672      6.737263
  O     -10.749131      3.757610      5.836164
  H       0.894746     -1.238284     -1.335207
  H       0.577928     -1.570837     -3.078700
  H       0.062292     -2.719819     -1.790674
  H      -3.402739      0.309219     -1.668965
  H      -5.486809      0.677938      1.193849
  H      -4.700076     -0.722475      4.894973
  H      -3.342283     -1.709463      4.261533
  H      -2.000482     -1.780657      2.596440
  H      -0.265191     -2.548013      1.512477
  H     -10.234458      8.874468      6.320994
  H      -9.239747      9.709360      5.103682
  H     -10.998313      9.487525      4.828487
  H      -7.744475      8.369258      6.166667
  H      -5.837131      7.884555      7.228662
  H      -3.430289      5.919814      5.933191
  H      -4.176212      5.075923      7.299263
  H      -7.073749      4.113032      3.697652
  H     -10.084379      5.931767      3.248194
  H     -12.290294      6.159608      5.710648
  H     -12.713986      4.951005      6.976224
  H     -13.184097      6.674255      7.149878
  H      -8.992612      6.656177      8.969678
  H      -6.042996      4.691656      9.226040
  H      -6.624997      2.042555      5.865483
  H      -6.743473      0.991374      7.277741
  H      -8.606933      2.573901      6.195147
  H     -11.340241      4.477019      5.551525
  N      -2.659413      2.608691      3.525416
  N      -2.229817      2.934238      2.442711
  H      -1.211556      3.205980      2.481495
95
Coordinates from ORCA-job orca E -6715.293297728800
  N      -2.922764      0.331256      4.563214
  Mo     -3.607240      2.181028      5.194491
  N      -4.784209      1.428545      6.631746
  C      -4.179724      0.743920      7.769000
  C      -2.753593      0.345032      7.427829
  N      -2.076230      1.435453      6.654119
  C      -0.947908      0.869772      5.869256
  C      -1.516684      0.039878      4.689759
  C      -1.636843      2.540157      7.560803
  C      -1.736343      3.858102      6.803802
  N      -2.984542      3.830168      6.079664
  H      -0.948565      0.295895      3.771456
  H      -1.362090     -1.040836      4.859199
  H      -0.338027      1.707907      5.510093
  H      -0.318358      0.246830      6.527948
  H      -1.701142      4.697107      7.518594
  H      -0.876168      3.984992      6.116550
  H      -2.341650      2.569562      8.402008
  H      -0.627111      2.333085      7.951886
  H      -4.744528     -0.168504      8.045483
  H      -4.202722      1.402622      8.656159
  H      -2.761287     -0.544250      6.788651
  H      -2.168322      0.117464      8.334520
  C       0.226990     -1.732411     -2.030029
  C      -1.063446     -0.953196     -1.965772
  O      -1.482548     -0.373539     -2.966004
  C      -1.845271     -0.871100     -0.682248
  C      -3.007200     -0.089597     -0.717788
  C      -3.832394      0.086184      0.393123
  O      -4.929271      0.855351      0.273983
  C      -3.479864     -0.537320      1.628188
  C      -4.332276     -0.340165      2.801965
  O      -5.408350      0.295231      2.722060
  C      -3.843235     -0.722839      4.195711
  C      -2.318470     -1.333362      1.657510
  C      -1.508967     -1.512447      0.540943
  O      -0.390088     -2.305046      0.612137
  C     -10.110697      9.041045      5.241218
  C      -9.884902      7.721299      4.550589
  O     -10.807447      7.240116      3.834675
  C      -8.629341      7.008320      4.721258
  C      -7.613909      7.458043      5.597410
  C      -6.450811      6.739951      5.807982
  O      -5.491230      7.160152      6.695457
  C      -6.233264      5.505383      5.119948
  C      -5.106835      4.655594      5.365561
  O      -5.041827      3.513558      4.748865
  C      -3.905218      4.956684      6.227749
  C      -7.237099      5.065714      4.223251
  C      -8.408534      5.779916      4.018358
  O      -9.337529      5.288954      3.172685
  C     -12.377341      6.002592      6.820482
  C     -11.087255      6.351240      7.532558
  O     -10.998464      7.439706      8.111053
  C      -9.939275      5.399992      7.548008
  C      -8.879098      5.736971      8.408943
  C      -7.731676      4.964766      8.522056
  O      -6.752827      5.371045      9.362626
  C      -7.599548      3.780437      7.728617
  C      -6.351041      3.023667      7.775153
  O      -5.422168      3.357350      8.557155
  C      -6.167581      1.808915      6.857873
  C      -8.662758      3.440857      6.871649
  C      -9.812478      4.217063      6.765970
  O     -10.740162      3.758696      5.867298
  H       0.943838     -1.360684     -1.283430
  H       0.644371     -1.639648     -3.038944
  H       0.050562     -2.790456     -1.787440
  H      -3.266516      0.400219     -1.657247
  H      -5.373972      0.820110      1.180650
  H      -4.722818     -0.734098      4.861265
  H      -3.358245     -1.713397      4.228014
  H      -2.042081     -1.842323      2.583748
  H      -0.330418     -2.673797      1.511858
  H     -10.250073      8.880766      6.322714
  H      -9.257681      9.720973      5.105115
  H     -11.017906      9.503348      4.835726
  H      -7.766651      8.380655      6.162523
  H      -5.859555      7.888691      7.227381
  H      -3.459479      5.924409      5.926935
  H      -4.198394      5.070188      7.290548
  H      -7.104579      4.120165      3.698102
  H     -10.111961      5.942473      3.247263
  H     -12.259028      6.170626      5.733015
  H     -12.693550      4.964600      6.998327
  H     -13.158982      6.689211      7.166779
  H      -8.968349      6.650134      8.998163
  H      -6.031608      4.670423      9.263459
  H      -6.640736      2.023287      5.890576
  H      -6.741212      0.972315      7.305104
  H      -8.603453      2.566739      6.223528
  H     -11.326774      4.481097      5.582105
  N      -2.764621      2.561763      3.470413
  N      -2.412561      2.863332      2.351709
  H      -1.410934      3.196424      2.324498
95
Coordinates from ORCA-job orca E -6715.294913776366
  N      -2.943255      0.312130      4.574001
  Mo     -3.639106      2.176810      5.182488
  N      -4.793093      1.416195      6.638215
  C      -4.172514      0.737520      7.771389
  C      -2.745353      0.346866      7.417677
  N      -2.085203      1.442149      6.635360
  C      -0.960528      0.884111      5.840293
  C      -1.537201      0.027377      4.685718
  C      -1.645963      2.549942      7.536747
  C      -1.754451      3.864667      6.778288
  N      -3.003920      3.831329      6.055844
  H      -0.978434      0.263024      3.755946
  H      -1.380871     -1.050021      4.877142
  H      -0.372521      1.727418      5.457933
  H      -0.310212      0.281379      6.497432
  H      -1.723439      4.705844      7.490455
  H      -0.896271      3.994964      6.089651
  H      -2.344066      2.574080      8.383608
  H      -0.631662      2.348186      7.919169
  H      -4.730520     -0.175951      8.057065
  H      -4.189357      1.400764      8.654821
  H      -2.752091     -0.542301      6.779207
  H      -2.147575      0.126072      8.317645
  C       0.288761     -1.787068     -1.997338
  C      -0.976897     -0.968555     -1.941261
  O      -1.360333     -0.361214     -2.938996
  C      -1.778658     -0.879744     -0.670105
  C      -2.914126     -0.061023     -0.714956
  C      -3.751766      0.127045      0.384127
  O      -4.821881      0.931871      0.260503
  C      -3.439899     -0.524235      1.615192
  C      -4.307551     -0.313473      2.774961
  O      -5.352546      0.371951      2.682940
  C      -3.860306     -0.730416      4.171041
  C      -2.305726     -1.357241      1.654135
  C      -1.483918     -1.547543      0.548911
  O      -0.390828     -2.375773      0.627105
  C     -10.105721      9.071796      5.266577
  C      -9.895672      7.750439      4.574926
  O     -10.828485      7.271985      3.871420
  C      -8.643504      7.029609      4.735700
  C      -7.619268      7.479739      5.599307
  C      -6.459295      6.756668      5.803017
  O      -5.488133      7.177012      6.677073
  C      -6.255222      5.517088      5.120806
  C      -5.130566      4.661681      5.362152
  O      -5.080309      3.515878      4.755830
  C      -3.922271      4.956985      6.214150
  C      -7.267672      5.075352      4.235733
  C      -8.437289      5.795502      4.037356
  O      -9.376251      5.304686      3.203072
  C     -12.376040      6.003614      6.847909
  C     -11.081067      6.352311      7.550187
  O     -10.986292      7.441848      8.122819
  C      -9.934663      5.397361      7.566021
  C      -8.869573      5.735384      8.419864
  C      -7.723820      4.958820      8.530405
  O      -6.736092      5.363898      9.361166
  C      -7.601376      3.770868      7.742343
  C      -6.355436      3.011675      7.786737
  O      -5.424193      3.350089      8.563368
  C      -6.174370      1.793878      6.875473
  C      -8.669853      3.430509      6.892287
  C      -9.816468      4.210541      6.789333
  O     -10.751241      3.749947      5.899441
  H       1.004511     -1.452053     -1.233084
  H       0.725125     -1.689994     -2.997630
  H       0.075634     -2.842834     -1.776628
  H      -3.140640      0.449101     -1.651775
  H      -5.278454      0.896262      1.162424
  H      -4.753217     -0.748905      4.818492
  H      -3.378513     -1.722159      4.196995
  H      -2.059143     -1.884894      2.578344
  H      -0.362185     -2.758535      1.522417
  H     -10.227744      8.911711      6.350580
  H      -9.252834      9.748120      5.116119
  H     -11.018116      9.536152      4.875888
  H      -7.760743      8.406770      6.159314
  H      -5.847579      7.911112      7.207377
  H      -3.476947      5.924658      5.912546
  H      -4.207829      5.068351      7.278941
  H      -7.143980      4.126283      3.715675
  H     -10.143374      5.969521      3.275740
  H     -12.263106      6.161789      5.758826
  H     -12.693817      4.968292      7.036512
  H     -13.154197      6.695128      7.191349
  H      -8.951645      6.651984      9.004232
  H      -6.016331      4.660370      9.251668
  H      -6.657360      2.000782      5.911721
  H      -6.741153      0.958116      7.333981
  H      -8.617143      2.552762      6.249330
  H     -11.335707      4.474069      5.615107
  N      -2.885921      2.522620      3.417333
  N      -2.618413      2.793762      2.266848
  H      -1.639880      3.175854      2.161442
95
Coordinates from ORCA-job orca E -6715.296410622127
  N      -2.932647      0.360513      4.558409
  Mo     -3.651843      2.222450      5.177729
  N      -4.798212      1.421624      6.618316
  C      -4.170237      0.728638      7.740778
  C      -2.734702      0.361511      7.385207
  N      -2.090062      1.481435      6.625283
  C      -0.957839      0.961199      5.815594
  C      -1.522998      0.098326      4.661531
  C      -1.668186      2.575180      7.549530
  C      -1.781957      3.900857      6.814523
  N      -3.023768      3.869395      6.078692
  H      -0.969300      0.339518      3.730235
  H      -1.353123     -0.977448      4.854734
  H      -0.399547      1.824376      5.433441
  H      -0.284861      0.372245      6.462331
  H      -1.768462      4.730510      7.540316
  H      -0.918451      4.052397      6.137364
  H      -2.370678      2.573560      8.392841
  H      -0.653320      2.374916      7.931910
  H      -4.721399     -0.194235      8.007320
  H      -4.195573      1.378207      8.633432
  H      -2.723662     -0.515843      6.731558
  H      -2.135177      0.136016      8.282673
  C       0.328576     -1.999024     -2.000243
  C      -0.926388     -1.164224     -1.978340
  O      -1.303711     -0.596273     -3.000874
  C      -1.726475     -1.009925     -0.711525
  C      -2.852660     -0.182271     -0.792263
  C      -3.685530      0.065207      0.298898
  O      -4.746779      0.873905      0.141906
  C      -3.376533     -0.534933      1.556959
  C      -4.244611     -0.273610      2.705855
  O      -5.283971      0.418183      2.586735
  C      -3.829271     -0.683393      4.112821
  C      -2.252604     -1.379085      1.631310
  C      -1.436146     -1.626062      0.534268
  O      -0.350588     -2.461880      0.644933
  C     -10.109886      9.130047      5.360789
  C      -9.897235      7.823665      4.643083
  O     -10.824066      7.363956      3.918916
  C      -8.650861      7.094678      4.797848
  C      -7.630748      7.527317      5.673849
  C      -6.475134      6.797487      5.867956
  O      -5.504470      7.200260      6.750439
  C      -6.272597      5.568807      5.165648
  C      -5.149378      4.707806      5.396890
  O      -5.102358      3.569287      4.778986
  C      -3.944426      4.987094      6.254411
  C      -7.281607      5.143426      4.269215
  C      -8.447991      5.872067      4.078769
  O      -9.387177      5.401967      3.233909
  C     -12.389555      5.983566      6.839705
  C     -11.102703      6.321897      7.560858
  O     -11.016154      7.401078      8.151571
  C      -9.952781      5.369641      7.574479
  C      -8.898235      5.696166      8.444752
  C      -7.751998      4.918427      8.555195
  O      -6.773523      5.306330      9.403777
  C      -7.620459      3.744548      7.748251
  C      -6.374252      2.988560      7.788459
  O      -5.448069      3.320748      8.574572
  C      -6.180142      1.789141      6.859656
  C      -8.680024      3.415689      6.882073
  C      -9.825478      4.195835      6.780810
  O     -10.751767      3.747223      5.876109
  H       1.049845     -1.642487     -1.251628
  H       0.763501     -1.948198     -3.004349
  H       0.104484     -3.042029     -1.735522
  H      -3.074557      0.286938     -1.750930
  H      -5.191640      0.892586      1.051996
  H      -4.736838     -0.715613      4.738844
  H      -3.337094     -1.669447      4.148216
  H      -2.008761     -1.868337      2.576719
  H      -0.328635     -2.805010      1.556276
  H     -10.237228      8.946360      6.440720
  H      -9.256490      9.809053      5.230186
  H     -11.020478      9.602301      4.976191
  H      -7.770304      8.444967      6.248470
  H      -5.862202      7.930335      7.287288
  H      -3.498953      5.960698      5.971845
  H      -4.231805      5.079208      7.320269
  H      -7.157338      4.203471      3.733960
  H     -10.148867      6.075308      3.314707
  H     -12.266983      6.155883      5.754216
  H     -12.707894      4.945578      7.010399
  H     -13.172313      6.669373      7.183000
  H      -8.988367      6.602420      9.043318
  H      -6.053660      4.599642      9.287607
  H      -6.663038      2.006244      5.898472
  H      -6.740577      0.941681      7.305729
  H      -8.618883      2.548018      6.227266
  H     -11.335821      4.475390      5.602484
  N      -2.972770      2.599802      3.389026
  N      -2.774649      2.866536      2.223765
  H      -1.830034      3.307147      2.063207
95
Coordinates from ORCA-job orca E -6715.297640415967
  N      -2.973375      0.365344      4.530166
  Mo     -3.690676      2.232929      5.160096
  N      -4.821200      1.418895      6.607152
  C      -4.177911      0.721259      7.717706
  C      -2.744876      0.361454      7.346852
  N      -2.111753      1.488472      6.588163
  C      -0.988648      0.986999      5.756022
  C      -1.561150      0.113294      4.616590
  C      -1.684366      2.575464      7.516608
  C      -1.802388      3.904446      6.790994
  N      -3.045867      3.878765      6.057262
  H      -1.016788      0.346088      3.677676
  H      -1.384081     -0.960444      4.819911
  H      -0.457618      1.860783      5.359422
  H      -0.289147      0.413581      6.388968
  H      -1.788493      4.729846      7.521805
  H      -0.940406      4.062513      6.113284
  H      -2.379748      2.566888      8.365540
  H      -0.666313      2.371663      7.889611
  H      -4.725268     -0.204239      7.983031
  H      -4.195083      1.366425      8.613564
  H      -2.734053     -0.512830      6.689896
  H      -2.136860      0.136257      8.238844
  C       0.462498     -2.098609     -1.927520
  C      -0.799143     -1.275357     -1.962042
  O      -1.157923     -0.745344     -3.011396
  C      -1.628581     -1.086389     -0.718927
  C      -2.760496     -0.273957     -0.851283
  C      -3.618492      0.002103      0.214125
  O      -4.684938      0.790481      0.006795
  C      -3.329304     -0.553727      1.497986
  C      -4.226294     -0.272610      2.619011
  O      -5.249622      0.437333      2.467371
  C      -3.855356     -0.671554      4.039893
  C      -2.197606     -1.382493      1.624028
  C      -1.357072     -1.656186      0.552333
  O      -0.263853     -2.474433      0.713283
  C     -10.098492      9.189059      5.446033
  C      -9.900244      7.888351      4.715264
  O     -10.837898      7.443931      3.994502
  C      -8.661089      7.145439      4.853229
  C      -7.626022      7.567228      5.717404
  C      -6.474521      6.826962      5.892570
  O      -5.487873      7.220966      6.761122
  C      -6.292899      5.597533      5.185122
  C      -5.172991      4.727491      5.402324
  O      -5.146164      3.585755      4.790143
  C      -3.957075      4.999354      6.241629
  C      -7.317238      5.183244      4.302115
  C      -8.479640      5.923323      4.128339
  O      -9.435249      5.466264      3.296661
  C     -12.406774      5.981813      6.886875
  C     -11.113160      6.320690      7.595050
  O     -11.021858      7.400370      8.183349
  C      -9.961817      5.368678      7.603500
  C      -8.903816      5.697477      8.467256
  C      -7.756449      4.919582      8.574778
  O      -6.775787      5.308323      9.417723
  C      -7.629284      3.744446      7.768029
  C      -6.384407      2.984705      7.799347
  O      -5.454466      3.308883      8.584436
  C      -6.197354      1.790928      6.865488
  C      -8.693374      3.414297      6.907632
  C      -9.839185      4.193777      6.811494
  O     -10.770889      3.742225      5.913694
  H       1.163614     -1.713104     -1.174241
  H       0.919356     -2.075568     -2.922766
  H       0.242112     -3.134659     -1.633972
  H      -2.966520      0.159184     -1.830212
  H      -5.145659      0.842599      0.908864
  H      -4.780748     -0.708961      4.638919
  H      -3.360318     -1.655611      4.091500
  H      -1.965907     -1.835298      2.589824
  H      -0.259849     -2.785107      1.636479
  H     -10.211833      8.998630      6.525965
  H      -9.244566      9.866463      5.311053
  H     -11.012106      9.667655      5.077281
  H      -7.748765      8.484714      6.295577
  H      -5.830484      7.956900      7.299697
  H      -3.511469      5.972161      5.955968
  H      -4.230563      5.092805      7.311832
  H      -7.207477      4.243250      3.763941
  H     -10.187386      6.150637      3.387802
  H     -12.296427      6.145654      5.798813
  H     -12.727043      4.945839      7.066316
  H     -13.184105      6.672477      7.232317
  H      -8.992003      6.604968      9.064129
  H      -6.053161      4.603411      9.295024
  H      -6.689560      2.011377      5.909879
  H      -6.754422      0.941416      7.313381
  H      -8.635068      2.544506      6.255700
  H     -11.358742      4.468719      5.643644
  N      -3.110137      2.612682      3.346390
  N      -3.007403      2.857271      2.163212
  H      -2.099218      3.327275      1.926660
95
Coordinates from ORCA-job orca E -6715.298564510039
  N      -3.000830      0.364443      4.526082
  Mo     -3.715194      2.231278      5.169992
  N      -4.839188      1.408812      6.616416
  C      -4.188036      0.708072      7.719994
  C      -2.756276      0.354805      7.343005
  N      -2.129582      1.486588      6.586544
  C      -1.012056      1.003497      5.737824
  C      -1.584873      0.123007      4.606056
  C      -1.701178      2.569430      7.519483
  C      -1.819194      3.900908      6.799081
  N      -3.061007      3.879136      6.060536
  H      -1.043543      0.351414      3.664483
  H      -1.399467     -0.948785      4.817301
  H      -0.505223      1.887717      5.332262
  H      -0.289563      0.444179      6.358071
  H      -1.807904      4.723321      7.533717
  H      -0.955006      4.064055      6.125207
  H      -2.395553      2.558723      8.369216
  H      -0.683159      2.362637      7.891648
  H      -4.731666     -0.220978      7.981573
  H      -4.203322      1.348308      8.619608
  H      -2.742616     -0.519359      6.686109
  H      -2.147186      0.132151      8.235238
  C       0.545556     -2.144999     -1.921190
  C      -0.728718     -1.342525     -1.980729
  O      -1.091771     -0.845437     -3.045088
  C      -1.565385     -1.134165     -0.745804
  C      -2.709209     -0.342963     -0.903495
  C      -3.574092     -0.049646      0.152608
  O      -4.645745      0.724716     -0.075934
  C      -3.284035     -0.569399      1.451293
  C      -4.200356     -0.283618      2.554521
  O      -5.241761      0.390907      2.372146
  C      -3.860484     -0.667976      3.987614
  C      -2.138004     -1.375504      1.603883
  C      -1.288569     -1.663076      0.542542
  O      -0.182051     -2.457220      0.732331
  C     -10.085598      9.233222      5.470468
  C      -9.900112      7.926516      4.747963
  O     -10.848159      7.486349      4.037275
  C      -8.666553      7.172973      4.881560
  C      -7.617638      7.595251      5.730356
  C      -6.468657      6.847789      5.898850
  O      -5.468482      7.245259      6.750589
  C      -6.305383      5.609101      5.202312
  C      -5.188305      4.732924      5.415961
  O      -5.177250      3.584069      4.817355
  C      -3.962150      5.007472      6.235897
  C      -7.343064      5.195790      4.335920
  C      -8.502007      5.942785      4.166632
  O      -9.468955      5.486122      3.349386
  C     -12.410919      6.000547      6.918341
  C     -11.109268      6.336013      7.613001
  O     -11.003510      7.422483      8.187494
  C      -9.964484      5.375594      7.621207
  C      -8.898372      5.706267      8.473367
  C      -7.756007      4.921256      8.581452
  O      -6.767797      5.307693      9.414698
  C      -7.642086      3.739373      7.784237
  C      -6.397964      2.977255      7.813766
  O      -5.462534      3.312719      8.587084
  C      -6.213302      1.781070      6.883040
  C      -8.714277      3.405984      6.935398
  C      -9.856685      4.191350      6.840382
  O     -10.798406      3.736803      5.954367
  H       1.238119     -1.730808     -1.175003
  H       1.005572     -2.139495     -2.915372
  H       0.340532     -3.176916     -1.602275
  H      -2.917207      0.062153     -1.894255
  H      -5.095100      0.820017      0.828536
  H      -4.802883     -0.715104      4.558041
  H      -3.359726     -1.649308      4.055071
  H      -1.904245     -1.801835      2.580484
  H      -0.177082     -2.740035      1.664625
  H     -10.185752      9.053596      6.553007
  H      -9.231484      9.907920      5.320372
  H     -11.002118      9.711615      5.108686
  H      -7.726713      8.519512      6.300829
  H      -5.795688      7.996055      7.278121
  H      -3.516537      5.976192      5.936098
  H      -4.224316      5.116729      7.308285
  H      -7.245431      4.249492      3.805874
  H     -10.213786      6.179500      3.436835
  H     -12.308841      6.145921      5.826599
  H     -12.742138      4.970737      7.114677
  H     -13.177416      6.705621      7.259365
  H      -8.977034      6.620285      9.061912
  H      -6.052617      4.596190      9.296031
  H      -6.712335      1.996643      5.929740
  H      -6.766413      0.931516      7.336282
  H      -8.665128      2.528568      6.292697
  H     -11.387721      4.462213      5.683491
  N      -3.213200      2.621771      3.341469
  N      -3.198219      2.850397      2.149106
  H      -2.335041      3.364872      1.855071
95
Coordinates from ORCA-job orca E -6715.299204666390
  N      -3.047795      0.315547      4.537587
  Mo     -3.748426      2.186316      5.178856
  N      -4.866573      1.378008      6.634558
  C      -4.211233      0.677075      7.735974
  C      -2.782010      0.319416      7.353290
  N      -2.158617      1.447208      6.588945
  C      -1.049050      0.967497      5.729107
  C      -1.629354      0.074633      4.612254
  C      -1.724220      2.533363      7.515843
  C      -1.835776      3.861660      6.787271
  N      -3.076686      3.841352      6.044394
  H      -1.090936      0.287869      3.665566
  H      -1.442918     -0.994423      4.839492
  H      -0.558649      1.854187      5.308204
  H      -0.308828      0.421033      6.340082
  H      -1.823123      4.687865      7.517969
  H      -0.968889      4.019340      6.115486
  H      -2.419289      2.533723      8.365253
  H      -0.707975      2.323368      7.891014
  H      -4.754605     -0.251200      8.001843
  H      -4.220248      1.317641      8.635906
  H      -2.772384     -0.560033      6.702886
  H      -2.172217      0.102159      8.246597
  C       0.658071     -1.987665     -1.888766
  C      -0.657877     -1.255912     -1.966817
  O      -1.036261     -0.786278     -3.038720
  C      -1.517092     -1.086905     -0.742296
  C      -2.701905     -0.361399     -0.916401
  C      -3.593352     -0.110843      0.128792
  O      -4.708796      0.592043     -0.119644
  C      -3.288781     -0.602137      1.435666
  C      -4.225722     -0.347160      2.529103
  O      -5.293104      0.278584      2.331993
  C      -3.892713     -0.713896      3.970160
  C      -2.102760     -1.345729      1.603679
  C      -1.226706     -1.592889      0.552888
  O      -0.080598     -2.323156      0.761834
  C     -10.064182      9.255074      5.419711
  C      -9.896808      7.929841      4.727028
  O     -10.855569      7.482226      4.036077
  C      -8.666471      7.169389      4.861924
  C      -7.597484      7.603588      5.680058
  C      -6.450855      6.849256      5.847696
  O      -5.430020      7.261631      6.667377
  C      -6.313567      5.589991      5.183157
  C      -5.201500      4.705757      5.399713
  O      -5.214067      3.541898      4.833574
  C      -3.958414      4.989281      6.189743
  C      -7.370978      5.166391      4.347061
  C      -8.525444      5.919914      4.177245
  O      -9.510145      5.451160      3.388403
  C     -12.373626      6.062567      6.959948
  C     -11.061890      6.390685      7.638696
  O     -10.934002      7.485790      8.193698
  C      -9.933345      5.411456      7.653343
  C      -8.850844      5.744667      8.483343
  C      -7.717763      4.947135      8.592298
  O      -6.714975      5.340135      9.404185
  C      -7.630260      3.748222      7.816686
  C      -6.392094      2.973191      7.836923
  O      -5.442303      3.305215      8.593015
  C      -6.234625      1.763987      6.915765
  C      -8.719999      3.409946      6.993108
  C      -9.854844      4.207509      6.898450
  O     -10.818015      3.744040      6.040785
  H       1.318916     -1.531177     -1.138050
  H       1.128411     -1.963907     -2.878025
  H       0.505330     -3.027417     -1.564836
  H      -2.923856      0.023053     -1.912625
  H      -5.184029      0.653157      0.773926
  H      -4.845582     -0.764572      4.521604
  H      -3.390501     -1.695067      4.049937
  H      -1.857493     -1.755393      2.584636
  H      -0.067570     -2.598061      1.696484
  H     -10.146654      9.102839      6.507601
  H      -9.209656      9.922391      5.238382
  H     -10.984558      9.728770      5.061146
  H      -7.688234      8.544211      6.227385
  H      -5.733545      8.039268      7.169702
  H      -3.506933      5.943076      5.852583
  H      -4.204706      5.140031      7.260971
  H      -7.291817      4.205157      3.840467
  H     -10.245979      6.153694      3.465494
  H     -12.276717      6.184605      5.864623
  H     -12.720657      5.042218      7.178851
  H     -13.125468      6.787403      7.293036
  H      -8.908495      6.672575      9.052736
  H      -6.008829      4.620741      9.294165
  H      -6.746146      1.975240      5.967772
  H      -6.790308      0.925434      7.385429
  H      -8.691827      2.517286      6.369545
  H     -11.410800      4.466441      5.769187
  N      -3.311610      2.574902      3.332900
  N      -3.378657      2.789364      2.137972
  H      -2.554660      3.340029      1.795049
95
Coordinates from ORCA-job orca E -6715.299597055413
  N      -3.085744      0.259975      4.565511
  Mo     -3.776441      2.133891      5.202929
  N      -4.888229      1.339102      6.670339
  C      -4.229888      0.638613      7.769407
  C      -2.803634      0.279201      7.380921
  N      -2.184412      1.403697      6.609234
  C      -1.081287      0.923708      5.743420
  C      -1.667053      0.015453      4.644096
  C      -1.749812      2.497820      7.527148
  C      -1.856583      3.821883      6.788886
  N      -3.092527      3.799751      6.036576
  H      -1.125527      0.207757      3.694392
  H      -1.485547     -1.050852      4.890924
  H      -0.604089      1.810553      5.307326
  H      -0.326556      0.390544      6.348476
  H      -1.848517      4.651296      7.516405
  H      -0.984099      3.977696      6.123614
  H      -2.448705      2.508563      8.373489
  H      -0.736241      2.288399      7.909607
  H      -4.771050     -0.289944      8.039710
  H      -4.234338      1.278237      8.670324
  H      -2.797758     -0.603243      6.734214
  H      -2.192095      0.065395      8.274056
  C       0.714874     -1.818176     -1.873289
  C      -0.613964     -1.109461     -1.950626
  O      -0.986679     -0.618252     -3.014835
  C      -1.490356     -0.988320     -0.733588
  C      -2.684879     -0.277083     -0.901896
  C      -3.592274     -0.069419      0.138577
  O      -4.712281      0.627823     -0.104833
  C      -3.296481     -0.591293      1.435928
  C      -4.249806     -0.382449      2.525308
  O      -5.339031      0.202158      2.327882
  C      -3.917536     -0.760764      3.965113
  C      -2.101279     -1.320936      1.596920
  C      -1.208203     -1.525664      0.550737
  O      -0.054729     -2.245000      0.753774
  C     -10.041072      9.254774      5.322126
  C      -9.897001      7.905319      4.672156
  O     -10.872522      7.439720      4.018543
  C      -8.670071      7.139747      4.813242
  C      -7.579889      7.596598      5.589652
  C      -6.435519      6.839316      5.764218
  O      -5.392011      7.279340      6.539138
  C      -6.323805      5.551993      5.150632
  C      -5.215778      4.664654      5.379478
  O      -5.249763      3.481933      4.856514
  C      -3.956223      4.965987      6.137102
  C      -7.402704      5.105901      4.355277
  C      -8.553725      5.862292      4.177765
  O      -9.557780      5.369580      3.428466
  C     -12.330281      6.115003      6.998902
  C     -11.003041      6.443508      7.645890
  O     -10.848529      7.554246      8.161493
  C      -9.891435      5.445272      7.676141
  C      -8.784828      5.793607      8.467741
  C      -7.660426      4.984853      8.581089
  O      -6.633739      5.395967      9.353710
  C      -7.606835      3.757855      7.848273
  C      -6.375757      2.968825      7.865094
  O      -5.410017      3.305367      8.595948
  C      -6.249026      1.739106      6.964868
  C      -8.719918      3.403468      7.065045
  C      -9.848037      4.211106      6.967808
  O     -10.839280      3.723812      6.157946
  H       1.356111     -1.367830     -1.102001
  H       1.198659     -1.761013     -2.854660
  H       0.576999     -2.868472     -1.577505
  H      -2.900906      0.133104     -1.889051
  H      -5.198332      0.660296      0.784180
  H      -4.879422     -0.821616      4.499696
  H      -3.415344     -1.743232      4.039057
  H      -1.864632     -1.759163      2.568055
  H      -0.044960     -2.544920      1.680603
  H     -10.092527      9.142440      6.416856
  H      -9.189723      9.911653      5.092790
  H     -10.969232      9.719533      4.971946
  H      -7.651627      8.560356      6.098588
  H      -5.671541      8.089414      7.002616
  H      -3.501021      5.900166      5.752651
  H      -4.186088      5.169231      7.203198
  H      -7.342733      4.124041      3.886646
  H     -10.285191      6.080739      3.487540
  H     -12.244527      6.190414      5.898351
  H     -12.695388      5.112081      7.264357
  H     -13.062359      6.868476      7.312120
  H      -8.815802      6.744198      9.000720
  H      -5.936852      4.669124      9.253086
  H      -6.774717      1.939953      6.022282
  H      -6.806233      0.915054      7.457169
  H      -8.718238      2.487009      6.476097
  H     -11.438984      4.437727      5.880121
  N      -3.385171      2.498634      3.346066
  N      -3.523480      2.689772      2.151206
  H      -2.709090      3.219517      1.753691
95
Coordinates from ORCA-job orca E -6715.299722816549
  N      -3.097017      0.217595      4.587008
  Mo     -3.782185      2.088898      5.221238
  N      -4.902102      1.301716      6.682766
  C      -4.254198      0.593746      7.784388
  C      -2.823809      0.234519      7.406097
  N      -2.203315      1.360127      6.637908
  C      -1.096242      0.883111      5.775181
  C      -1.678269     -0.028857      4.677172
  C      -1.779360      2.457792      7.556463
  C      -1.874050      3.781779      6.815313
  N      -3.098746      3.758747      6.044645
  H      -1.129668      0.156259      3.730245
  H      -1.502684     -1.094804      4.930923
  H      -0.621722      1.771312      5.338597
  H      -0.339345      0.353235      6.380407
  H      -1.879103      4.610492      7.543863
  H      -0.991107      3.939608      6.164407
  H      -2.491943      2.472941      8.391415
  H      -0.772126      2.248103      7.954821
  H      -4.797913     -0.335721      8.045674
  H      -4.265884      1.227851      8.689052
  H      -2.811994     -0.647894      6.759642
  H      -2.218721      0.021772      8.303860
  C       0.721508     -1.586191     -1.868954
  C      -0.645107     -0.951972     -1.933114
  O      -1.050405     -0.472839     -2.990534
  C      -1.521143     -0.890283     -0.710968
  C      -2.752842     -0.242449     -0.868010
  C      -3.666956     -0.096570      0.176467
  O      -4.825953      0.538750     -0.056742
  C      -3.337725     -0.612844      1.467342
  C      -4.296132     -0.467793      2.562105
  O      -5.419644      0.047499      2.370652
  C      -3.924801     -0.815023      4.001724
  C      -2.106122     -1.279464      1.616939
  C      -1.206832     -1.426672      0.566304
  O      -0.018341     -2.089700      0.756115
  C     -10.006386      9.242490      5.234925
  C      -9.881491      7.879972      4.608371
  O     -10.869172      7.406578      3.979712
  C      -8.658130      7.109399      4.755840
  C      -7.557584      7.581440      5.506951
  C      -6.414852      6.824687      5.690178
  O      -5.358968      7.283461      6.436176
  C      -6.316162      5.519251      5.114173
  C      -5.211767      4.630960      5.354473
  O      -5.259142      3.435367      4.863017
  C      -3.942640      4.942255      6.094451
  C      -7.406405      5.055325      4.343933
  C      -8.554601      5.812845      4.155220
  O      -9.566794      5.301853      3.428420
  C     -12.286014      6.159057      7.013942
  C     -10.948006      6.485276      7.639498
  O     -10.774595      7.604791      8.128214
  C      -9.847859      5.474668      7.675196
  C      -8.723049      5.827322      8.440053
  C      -7.607622      5.006479      8.554175
  O      -6.563141      5.420066      9.303589
  C      -7.581227      3.763418      7.848609
  C      -6.359140      2.960912      7.863372
  O      -5.378757      3.299966      8.571537
  C      -6.258243      1.715771      6.978966
  C      -8.710646      3.405109      7.091832
  C      -9.830770      4.223961      6.994705
  O     -10.841055      3.728394      6.215541
  H       1.340274     -1.106195     -1.097268
  H       1.196445     -1.494103     -2.851997
  H       0.643695     -2.644901     -1.581750
  H      -2.994969      0.165546     -1.849933
  H      -5.312068      0.526078      0.832337
  H      -4.882352     -0.879954      4.544707
  H      -3.415651     -1.793791      4.078224
  H      -1.846674     -1.719087      2.582193
  H       0.013396     -2.397879      1.679678
  H     -10.036610      9.150154      6.332719
  H      -9.156161      9.889667      4.976025
  H     -10.938735      9.705683      4.893671
  H      -7.619519      8.560120      5.988137
  H      -5.622801      8.118237      6.863649
  H      -3.474702      5.851832      5.667293
  H      -4.163776      5.196671      7.150407
  H      -7.356474      4.060295      3.902989
  H     -10.289085      6.019665      3.469378
  H     -12.204225      6.196909      5.911170
  H     -12.666337      5.172444      7.316682
  H     -13.003522      6.934213      7.307002
  H      -8.733739      6.789597      8.952363
  H      -5.880628      4.679288      9.213664
  H      -6.789430      1.911577      6.038488
  H      -6.819755      0.904709      7.486580
  H      -8.730761      2.474366      6.526123
  H     -11.446446      4.440087      5.944841
  N      -3.382021      2.457918      3.359202
  N      -3.532359      2.648132      2.165863
  H      -2.742910      3.221368      1.768988
95
Coordinates from ORCA-job orca E -6715.299968233838
  N      -3.081310      0.242604      4.578520
  Mo     -3.782609      2.107562      5.224919
  N      -4.900187      1.297088      6.677270
  C      -4.251709      0.580120      7.773342
  C      -2.815840      0.236235      7.397225
  N      -2.203086      1.374296      6.641161
  C      -1.090209      0.912900      5.777176
  C      -1.663363      0.000400      4.675614
  C      -1.792871      2.466836      7.571053
  C      -1.890972      3.797633      6.844506
  N      -3.107348      3.774007      6.061733
  H      -1.109409      0.187788      3.731986
  H      -1.487770     -1.066085      4.927833
  H      -0.623611      1.807903      5.346135
  H      -0.329338      0.386305      6.380448
  H      -1.912248      4.616705      7.583843
  H      -1.002426      3.972574      6.205669
  H      -2.511526      2.467628      8.400961
  H      -0.786610      2.260595      7.973905
  H      -4.789914     -0.356081      8.021218
  H      -4.271974      1.203408      8.685241
  H      -2.795339     -0.638364      6.741176
  H      -2.209999      0.019057      8.293343
  C       0.719096     -1.656342     -1.882646
  C      -0.637297     -1.001025     -1.947014
  O      -1.038517     -0.523773     -3.006699
  C      -1.510563     -0.918663     -0.723461
  C      -2.734529     -0.256881     -0.884192
  C      -3.646866     -0.094949      0.159108
  O      -4.805421      0.540073     -0.079248
  C      -3.319119     -0.601237      1.453809
  C      -4.273739     -0.436976      2.549513
  O      -5.393887      0.084800      2.353655
  C      -3.905157     -0.789475      3.989092
  C      -2.098515     -1.285927      1.606338
  C      -1.202721     -1.452822      0.555974
  O      -0.024210     -2.133446      0.747163
  C     -10.014486      9.254644      5.254372
  C      -9.889767      7.892720      4.626203
  O     -10.871024      7.423264      3.985539
  C      -8.666091      7.123105      4.773351
  C      -7.565445      7.595741      5.522730
  C      -6.422536      6.839853      5.702912
  O      -5.364559      7.298744      6.445340
  C      -6.324993      5.534073      5.127881
  C      -5.219236      4.646691      5.365127
  O      -5.268208      3.450555      4.876301
  C      -3.947931      4.959273      6.101283
  C      -7.416969      5.067577      4.360782
  C      -8.564342      5.826756      4.172630
  O      -9.579172      5.317329      3.447719
  C     -12.278314      6.154425      6.994957
  C     -10.946610      6.475795      7.636678
  O     -10.776822      7.592087      8.132065
  C      -9.845601      5.465337      7.673344
  C      -8.722799      5.815373      8.442486
  C      -7.609062      4.991869      8.558436
  O      -6.567230      5.397434      9.316963
  C      -7.581383      3.752310      7.848117
  C      -6.359764      2.949666      7.863780
  O      -5.379550      3.291422      8.569706
  C      -6.256741      1.706108      6.977365
  C      -8.708544      3.396736      7.086995
  C      -9.827632      4.216690      6.989688
  O     -10.836833      3.722809      6.208638
  H       1.347296     -1.182051     -1.115206
  H       1.192813     -1.576923     -2.867377
  H       0.625551     -2.711969     -1.589608
  H      -2.973833      0.144361     -1.869546
  H      -5.294049      0.525531      0.808226
  H      -4.864080     -0.858718      4.530300
  H      -3.395676     -1.767820      4.061058
  H      -1.845641     -1.724203      2.573868
  H       0.003169     -2.436741      1.672548
  H     -10.043270      9.159414      6.352121
  H      -9.164492      9.901861      4.995422
  H     -10.947153      9.718378      4.914838
  H      -7.626066      8.574932      6.002576
  H      -5.626270      8.136272      6.868732
  H      -3.478011      5.863435      5.663999
  H      -4.165960      5.224519      7.154804
  H      -7.368432      4.072085      3.921405
  H     -10.298616      6.038310      3.489323
  H     -12.180269      6.187432      5.893502
  H     -12.667313      5.171165      7.297795
  H     -12.996721      6.933379      7.274644
  H      -8.734763      6.775437      8.958753
  H      -5.890850      4.649409      9.232511
  H      -6.791045      1.902901      6.038978
  H      -6.814301      0.892184      7.484814
  H      -8.728392      2.467228      6.519579
  H     -11.446115      4.434930      5.947591
  N      -3.400239      2.483255      3.362928
  N      -3.577490      2.672266      2.173515
  H      -2.781146      3.213380      1.747758
95
Coordinates from ORCA-job orca E -6715.300080285086
  N      -3.069293      0.260512      4.563342
  Mo     -3.783408      2.123041      5.215830
  N      -4.901779      1.296683      6.660093
  C      -4.255896      0.575445      7.755028
  C      -2.815383      0.240581      7.384852
  N      -2.205290      1.384084      6.635015
  C      -1.087301      0.929391      5.773413
  C      -1.653569      0.017042      4.668289
  C      -1.803613      2.472327      7.572321
  C      -1.901678      3.807529      6.856289
  N      -3.111037      3.784199      6.063810
  H      -1.093849      0.205087      3.727894
  H      -1.480798     -1.049984      4.919438
  H      -0.622301      1.827000      5.346529
  H      -0.327624      0.402912      6.378365
  H      -1.935890      4.619128      7.603599
  H      -1.008404      3.994710      6.227635
  H      -2.526739      2.464243      8.398166
  H      -0.798269      2.267800      7.978504
  H      -4.791954     -0.364271      7.993490
  H      -4.283818      1.193324      8.670439
  H      -2.789270     -0.630579      6.725032
  H      -2.209931      0.022400      8.280731
  C       0.724591     -1.730141     -1.873595
  C      -0.619981     -1.052175     -1.945165
  O      -1.008450     -0.569384     -3.007081
  C      -1.495276     -0.950329     -0.724279
  C      -2.708479     -0.270222     -0.891056
  C      -3.621080     -0.090554      0.148895
  O      -4.770007      0.561377     -0.093306
  C      -3.302140     -0.594780      1.446404
  C      -4.257273     -0.414003      2.539916
  O      -5.374410      0.112696      2.336621
  C      -3.895974     -0.770569      3.980319
  C      -2.092455     -1.297056      1.605301
  C      -1.197753     -1.483083      0.557654
  O      -0.029837     -2.180838      0.753237
  C     -10.009632      9.274610      5.304930
  C      -9.883194      7.921521      4.657983
  O     -10.865076      7.454828      4.017147
  C      -8.657876      7.152434      4.793286
  C      -7.553068      7.619635      5.539482
  C      -6.410987      6.860789      5.708547
  O      -5.347130      7.312979      6.446471
  C      -6.320781      5.556682      5.129151
  C      -5.216481      4.665746      5.359303
  O      -5.270957      3.469910      4.872236
  C      -3.941800      4.975258      6.090395
  C      -7.417288      5.095119      4.364720
  C      -8.561964      5.860409      4.183903
  O      -9.581920      5.361078      3.458641
  C     -12.308157      6.110220      7.006402
  C     -10.974386      6.445279      7.637861
  O     -10.814176      7.560221      8.138368
  C      -9.863864      5.444475      7.670169
  C      -8.738255      5.808268      8.428201
  C      -7.615581      4.995654      8.537835
  O      -6.568351      5.418598      9.279315
  C      -7.583200      3.752152      7.833791
  C      -6.359477      2.952107      7.846980
  O      -5.384988      3.283060      8.565290
  C      -6.257211      1.707557      6.962321
  C      -8.713676      3.383647      7.083718
  C      -9.840810      4.192905      6.992785
  O     -10.852384      3.685206      6.223882
  H       1.357310     -1.265849     -1.103888
  H       1.203910     -1.659738     -2.856190
  H       0.611898     -2.783528     -1.580082
  H      -2.938681      0.130480     -1.878686
  H      -5.257854      0.559435      0.794710
  H      -4.854334     -0.838850      4.523512
  H      -3.389220     -1.750083      4.048429
  H      -1.848064     -1.732614      2.575665
  H      -0.009592     -2.479548      1.680332
  H     -10.026474      9.162825      6.401124
  H      -9.166164      9.929709      5.045564
  H     -10.948358      9.737437      4.981689
  H      -7.608355      8.596483      6.023982
  H      -5.602865      8.151607      6.871227
  H      -3.465230      5.869240      5.638572
  H      -4.154214      5.256336      7.140599
  H      -7.374239      4.101311      3.921874
  H     -10.294652      6.088672      3.502836
  H     -12.214883      6.130643      5.904451
  H     -12.690568      5.129230      7.324811
  H     -13.030076      6.887896      7.279595
  H      -8.753978      6.771238      8.938638
  H      -5.881322      4.680206      9.182414
  H      -6.792571      1.904796      6.024720
  H      -6.814475      0.894730      7.471885
  H      -8.731936      2.449990      6.523493
  H     -11.476521      4.389126      5.975630
  N      -3.414876      2.499818      3.352726
  N      -3.609721      2.685800      2.165744
  H      -2.829728      3.235803      1.726455
95
Coordinates from ORCA-job orca E -6715.300213356446
  N      -3.078913      0.232429      4.567757
  Mo     -3.800468      2.093626      5.225641
  N      -4.906545      1.261551      6.677142
  C      -4.252155      0.544584      7.769602
  C      -2.811171      0.218267      7.394184
  N      -2.211735      1.362938      6.637678
  C      -1.096285      0.913048      5.769802
  C      -1.662992     -0.007485      4.671980
  C      -1.812982      2.455641      7.570733
  C      -1.918901      3.789952      6.855215
  N      -3.126937      3.758923      6.061266
  H      -1.104991      0.176232      3.729376
  H      -1.487407     -1.072853      4.928218
  H      -0.640959      1.812553      5.336503
  H      -0.328686      0.394087      6.371543
  H      -1.962355      4.599392      7.604938
  H      -1.025553      3.987138      6.229473
  H      -2.534588      2.445007      8.397843
  H      -0.805516      2.257209      7.975061
  H      -4.782276     -0.398242      8.009231
  H      -4.280266      1.162534      8.685142
  H      -2.783206     -0.654859      6.736903
  H      -2.198735      0.006685      8.286805
  C       0.735167     -1.609979     -1.853331
  C      -0.622868     -0.959193     -1.920711
  O      -1.017111     -0.468894     -2.977126
  C      -1.504523     -0.891498     -0.701357
  C      -2.730242     -0.233323     -0.863870
  C      -3.649411     -0.084052      0.175371
  O      -4.807798      0.553391     -0.061498
  C      -3.323787     -0.598655      1.467588
  C      -4.283942     -0.451197      2.563121
  O      -5.409133      0.060763      2.366828
  C      -3.907969     -0.803591      4.000624
  C      -2.099201     -1.276158      1.622665
  C      -1.198753     -1.432320      0.575198
  O      -0.016474     -2.107259      0.766014
  C      -9.986578      9.288681      5.269776
  C      -9.882745      7.919791      4.652404
  O     -10.875708      7.452001      4.029552
  C      -8.664594      7.139708      4.791649
  C      -7.542937      7.614901      5.507546
  C      -6.404726      6.850018      5.674679
  O      -5.322795      7.311604      6.380131
  C      -6.335937      5.531144      5.126046
  C      -5.232582      4.638872      5.354561
  O      -5.297616      3.435223      4.887459
  C      -3.944607      4.957796      6.058018
  C      -7.450444      5.060014      4.393580
  C      -8.591746      5.831183      4.215030
  O      -9.631200      5.322200      3.524962
  C     -12.257475      6.147266      6.951348
  C     -10.926935      6.468498      7.597411
  O     -10.757536      7.585052      8.091070
  C      -9.828612      5.454359      7.648099
  C      -8.697166      5.820899      8.395846
  C      -7.582940      4.998532      8.517913
  O      -6.527324      5.424080      9.246054
  C      -7.566002      3.741684      7.838364
  C      -6.350304      2.929763      7.862499
  O      -5.367375      3.269103      8.564991
  C      -6.258372      1.675413      6.991192
  C      -8.702971      3.369433      7.100064
  C      -9.821948      4.188756      6.996657
  O     -10.840839      3.675810      6.240992
  H       1.355202     -1.144508     -1.073974
  H       1.216642     -1.514634     -2.832832
  H       0.643602     -2.669858     -1.576043
  H      -2.963890      0.176596     -1.847010
  H      -5.296148      0.536157      0.826650
  H      -4.859462     -0.877280      4.555399
  H      -3.396146     -1.781163      4.061389
  H      -1.847228     -1.714441      2.589676
  H       0.007585     -2.414036      1.690509
  H      -9.983143      9.202200      6.368281
  H      -9.142860      9.930263      4.978877
  H     -10.927359      9.752146      4.953562
  H      -7.579567      8.604932      5.966480
  H      -5.561464      8.166607      6.781719
  H      -3.466086      5.830737      5.567184
  H      -4.136551      5.278375      7.100477
  H      -7.424597      4.054490      3.976589
  H     -10.338980      6.055327      3.569485
  H     -12.145997      6.139389      5.850828
  H     -12.666283      5.182773      7.288012
  H     -12.967582      6.945603      7.194076
  H      -8.700895      6.794368      8.886311
  H      -5.851776      4.672856      9.165142
  H      -6.805402      1.862331      6.058182
  H      -6.808589      0.868063      7.516854
  H      -8.733142      2.424717      6.559151
  H     -11.466758      4.378821      5.993910
  N      -3.462039      2.462391      3.356857
  N      -3.686300      2.632784      2.172461
  H      -2.929224      3.192311      1.709261
95
Coordinates from ORCA-job orca E -6715.300319658230
  N      -3.074552      0.212187      4.579330
  Mo     -3.805453      2.069287      5.241314
  N      -4.913455      1.231834      6.686615
  C      -4.261035      0.513572      7.778792
  C      -2.818034      0.193793      7.408284
  N      -2.220414      1.341616      6.656820
  C      -1.100145      0.899638      5.792277
  C      -1.658502     -0.024036      4.693268
  C      -1.830147      2.433765      7.593791
  C      -1.935804      3.769722      6.880830
  N      -3.136574      3.734500      6.075623
  H      -1.095272      0.159659      3.753733
  H      -1.479791     -1.087920      4.953136
  H      -0.649737      1.801996      5.359697
  H      -0.330482      0.385216      6.395269
  H      -1.992224      4.575450      7.634069
  H      -1.037594      3.976437      6.264973
  H      -2.556996      2.421140      8.416101
  H      -0.824723      2.238308      8.004415
  H      -4.788731     -0.432450      8.011578
  H      -4.294998      1.127420      8.696854
  H      -2.784786     -0.679390      6.750562
  H      -2.208444     -0.016751      8.302955
  C       0.720763     -1.474432     -1.859175
  C      -0.655864     -0.862836     -1.915474
  O      -1.070863     -0.378633     -2.966877
  C      -1.532651     -0.834544     -0.691784
  C      -2.779438     -0.214173     -0.841132
  C      -3.695676     -0.101660      0.205390
  O      -4.874325      0.502275     -0.019333
  C      -3.346277     -0.616268      1.491363
  C      -4.302386     -0.502581      2.595248
  O      -5.440521     -0.017052      2.410454
  C      -3.901135     -0.835554      4.030720
  C      -2.099478     -1.256278      1.632949
  C      -1.201792     -1.375986      0.578153
  O       0.002090     -2.014821      0.756405
  C      -9.939027      9.314292      5.210172
  C      -9.851149      7.939572      4.603937
  O     -10.856025      7.475424      3.997528
  C      -8.641122      7.146631      4.750519
  C      -7.510115      7.623226      5.452019
  C      -6.378862      6.849354      5.629280
  O      -5.286607      7.316529      6.315086
  C      -6.328227      5.517791      5.110012
  C      -5.231771      4.619465      5.347751
  O      -5.306031      3.410025      4.898195
  C      -3.936273      4.943144      6.035251
  C      -7.450692      5.045804      4.391203
  C      -8.583277      5.826146      4.198784
  O      -9.625996      5.314793      3.516294
  C     -12.251301      6.143038      6.960907
  C     -10.909552      6.468683      7.581457
  O     -10.723005      7.597219      8.041657
  C      -9.817207      5.448446      7.638495
  C      -8.673415      5.826703      8.360748
  C      -7.563506      5.000583      8.490560
  O      -6.500458      5.433795      9.202416
  C      -7.560606      3.729246      7.839266
  C      -6.346424      2.914199      7.863915
  O      -5.350137      3.271495      8.537503
  C      -6.263289      1.650347      7.004991
  C      -8.710077      3.343880      7.127933
  C      -9.827567      4.165628      7.020903
  O     -10.858567      3.638950      6.291989
  H       1.330607     -0.996868     -1.079161
  H       1.194740     -1.358093     -2.839992
  H       0.661096     -2.538658     -1.589405
  H      -3.031624      0.196819     -1.819173
  H      -5.358074      0.462925      0.870183
  H      -4.843483     -0.916637      4.599179
  H      -3.379206     -1.808799      4.089123
  H      -1.827094     -1.692474      2.594920
  H       0.042818     -2.326901      1.678436
  H      -9.922495      9.236521      6.308843
  H      -9.095121      9.947937      4.902564
  H     -10.880598      9.781176      4.901738
  H      -7.532557      8.623429      5.889473
  H      -5.510436      8.186746      6.691669
  H      -3.449862      5.792346      5.510423
  H      -4.115528      5.304163      7.066357
  H      -7.437185      4.032070      3.993894
  H     -10.323671      6.058563      3.535654
  H     -12.151482      6.083008      5.861101
  H     -12.674430      5.203245      7.346820
  H     -12.944868      6.964032      7.174104
  H      -8.666290      6.811126      8.828635
  H      -5.837372      4.670453      9.148832
  H      -6.817038      1.828810      6.074281
  H      -6.810114      0.849042      7.543079
  H      -8.752248      2.386423      6.610675
  H     -11.491694      4.335842      6.046191
  N      -3.477070      2.445683      3.371282
  N      -3.712701      2.610103      2.187222
  H      -2.955407      3.157602      1.713995
95
Coordinates from ORCA-job orca E -6715.300427388135
  N      -3.056171      0.224772      4.582719
  Mo     -3.796956      2.074058      5.256411
  N      -4.915075      1.224459      6.686397
  C      -4.270124      0.499234      7.778493
  C      -2.824058      0.185761      7.416907
  N      -2.223104      1.340954      6.679411
  C      -1.094434      0.909030      5.821339
  C      -1.640404     -0.008324      4.710794
  C      -1.844518      2.428673      7.626963
  C      -1.946837      3.769585      6.921693
  N      -3.138602      3.736044      6.102582
  H      -1.067753      0.183808      3.778691
  H      -1.460659     -1.073417      4.965226
  H      -0.643690      1.816201      5.398975
  H      -0.327610      0.393235      6.426788
  H      -2.015027      4.569543      7.680298
  H      -1.042459      3.984828      6.317798
  H      -2.579636      2.409733      8.441775
  H      -0.842971      2.233020      8.046678
  H      -4.797080     -0.450158      7.999353
  H      -4.312988      1.105348      8.701354
  H      -2.782436     -0.682966      6.753450
  H      -2.221867     -0.029911      8.315544
  C       0.697584     -1.480436     -1.898243
  C      -0.679058     -0.867168     -1.940647
  O      -1.103873     -0.383675     -2.988457
  C      -1.544510     -0.836295     -0.708812
  C      -2.792740     -0.216827     -0.849280
  C      -3.700419     -0.102499      0.204567
  O      -4.883635      0.494277     -0.013894
  C      -3.340203     -0.612016      1.489276
  C      -4.287708     -0.493901      2.600305
  O      -5.432195     -0.022777      2.419864
  C      -3.877891     -0.827024      4.033716
  C      -2.094218     -1.255378      1.621118
  C      -1.204801     -1.377447      0.559358
  O      -0.001593     -2.019967      0.729602
  C      -9.939616      9.313298      5.198815
  C      -9.854777      7.930680      4.610377
  O     -10.861006      7.460758      4.010326
  C      -8.642675      7.141358      4.756457
  C      -7.506451      7.627080      5.443194
  C      -6.372764      6.856253      5.620546
  O      -5.275872      7.333657      6.292045
  C      -6.323993      5.519089      5.114492
  C      -5.226424      4.622836      5.354080
  O      -5.300898      3.411360      4.909164
  C      -3.930233      4.949085      6.040622
  C      -7.451873      5.038787      4.409965
  C      -8.587320      5.815034      4.218862
  O      -9.635404      5.294349      3.551788
  C     -12.246761      6.144913      6.946603
  C     -10.905536      6.470907      7.567574
  O     -10.719818      7.599140      8.029263
  C      -9.814127      5.449760      7.624979
  C      -8.667379      5.828770      8.342481
  C      -7.559044      5.000806      8.473091
  O      -6.490643      5.436933      9.175214
  C      -7.561458      3.725949      7.828897
  C      -6.349412      2.907701      7.857605
  O      -5.361995      3.252384      8.550669
  C      -6.266250      1.643465      6.998939
  C      -8.712672      3.340438      7.120660
  C      -9.828405      4.164736      7.011912
  O     -10.862077      3.638123      6.287106
  H       1.316647     -1.002335     -1.125864
  H       1.161057     -1.366741     -2.884516
  H       0.639416     -2.544098     -1.625679
  H      -3.053797      0.190215     -1.826755
  H      -5.362312      0.452001      0.878003
  H      -4.818672     -0.913766      4.603734
  H      -3.351779     -1.798762      4.089098
  H      -1.816218     -1.693491      2.580943
  H       0.045406     -2.331083      1.651696
  H      -9.913877      9.250796      6.298304
  H      -9.099072      9.944174      4.875818
  H     -10.884239      9.774802      4.891392
  H      -7.526418      8.632446      5.869333
  H      -5.497447      8.209218      6.657649
  H      -3.438242      5.787261      5.502891
  H      -4.108056      5.328759      7.064880
  H      -7.440507      4.020422      4.024039
  H     -10.333755      6.037589      3.567994
  H     -12.145677      6.072367      5.847746
  H     -12.674683      5.210894      7.341857
  H     -12.937379      6.970882      7.150462
  H      -8.656355      6.816053      8.804301
  H      -5.827095      4.674766      9.118684
  H      -6.815397      1.823685      6.065829
  H      -6.816858      0.842279      7.533334
  H      -8.757975      2.380590      6.607753
  H     -11.497177      4.334724      6.045269
  N      -3.455476      2.466184      3.392127
  N      -3.683268      2.635197      2.207209
  H      -2.930312      3.201444      1.745536
95
Coordinates from ORCA-job orca E -6715.300463645350
  N      -3.063211      0.223751      4.572294
  Mo     -3.806615      2.073232      5.249972
  N      -4.921281      1.219758      6.681802
  C      -4.273150      0.493823      7.771769
  C      -2.828127      0.180971      7.405699
  N      -2.228616      1.337609      6.668978
  C      -1.100796      0.905405      5.809990
  C      -1.648368     -0.011510      4.699407
  C      -1.848259      2.423649      7.617682
  C      -1.953024      3.765722      6.915378
  N      -3.145736      3.732931      6.097856
  H      -1.075981      0.180792      3.766949
  H      -1.469426     -1.076835      4.952909
  H      -0.649543      1.812352      5.387719
  H      -0.334180      0.388727      6.414881
  H      -2.020939      4.564268      7.675518
  H      -1.049805      3.983202      6.310618
  H      -2.581044      2.402171      8.434418
  H      -0.845492      2.228012      8.034234
  H      -4.799193     -0.455746      7.994083
  H      -4.313156      1.099486      8.694981
  H      -2.788051     -0.686240      6.740549
  H      -2.223517     -0.036870      8.302331
  C       0.719681     -1.495345     -1.878003
  C      -0.655400     -0.879119     -1.930174
  O      -1.071407     -0.394518     -2.981004
  C      -1.526776     -0.840202     -0.703011
  C      -2.772803     -0.218045     -0.852139
  C      -3.685274     -0.097387      0.196745
  O      -4.865577      0.502189     -0.029085
  C      -3.332977     -0.603163      1.484790
  C      -4.286415     -0.479673      2.589802
  O      -5.427511     -0.001810      2.403152
  C      -3.887946     -0.824793      4.022954
  C      -2.089175     -1.248219      1.625829
  C      -1.194590     -1.376332      0.569192
  O       0.006716     -2.020246      0.748429
  C      -9.943476      9.318997      5.200430
  C      -9.856863      7.936003      4.613110
  O     -10.860933      7.463785      4.011587
  C      -8.644666      7.147859      4.758649
  C      -7.506389      7.632724      5.441950
  C      -6.373667      6.859959      5.617177
  O      -5.273737      7.336451      6.284337
  C      -6.328900      5.522098      5.112622
  C      -5.231867      4.624360      5.349146
  O      -5.310773      3.412567      4.907380
  C      -3.932607      4.948924      6.031254
  C      -7.459476      5.043107      4.411520
  C      -8.593402      5.821828      4.222090
  O      -9.645662      5.304434      3.558772
  C     -12.248693      6.141654      6.968226
  C     -10.903681      6.472105      7.578237
  O     -10.719057      7.599427      8.042049
  C      -9.811289      5.451763      7.632874
  C      -8.657889      5.835624      8.337002
  C      -7.549456      5.007224      8.465499
  O      -6.475454      5.447531      9.156234
  C      -7.558774      3.727156      7.831265
  C      -6.348084      2.906570      7.856664
  O      -5.355673      3.252896      8.541694
  C      -6.270655      1.640905      6.999897
  C      -8.716329      3.337360      7.136044
  C      -9.832456      4.161580      7.031307
  O     -10.875096      3.628647      6.324497
  H       1.335628     -1.016680     -1.103500
  H       1.189045     -1.385829     -2.861935
  H       0.657209     -2.557948     -1.602608
  H      -3.027872      0.185755     -1.832479
  H      -5.346900      0.466708      0.861511
  H      -4.830456     -0.910249      4.590786
  H      -3.364478     -1.797642      4.076188
  H      -1.816248     -1.681558      2.589587
  H       0.048123     -2.327328      1.672104
  H      -9.916279      9.257677      6.299909
  H      -9.104572      9.951216      4.875947
  H     -10.889294      9.778312      4.893522
  H      -7.523020      8.638899      5.866127
  H      -5.493159      8.212136      6.650913
  H      -3.438886      5.781111      5.485782
  H      -4.105532      5.336836      7.053117
  H      -7.451148      4.024442      4.026476
  H     -10.340295      6.050651      3.576294
  H     -12.157025      6.064107      5.869065
  H     -12.671371      5.208394      7.370986
  H     -12.939217      6.967144      7.174157
  H      -8.641892      6.826674      8.790447
  H      -5.814326      4.682663      9.103050
  H      -6.824142      1.820292      6.069176
  H      -6.819798      0.841223      7.538084
  H      -8.767177      2.373152      6.631905
  H     -11.513762      4.323071      6.086035
  N      -3.472665      2.462155      3.385871
  N      -3.703507      2.628502      2.201304
  H      -2.959134      3.207075      1.740081
95
Coordinates from ORCA-job orca E -6715.300490463971
  N      -3.059001      0.228635      4.569869
  Mo     -3.807998      2.076707      5.248529
  N      -4.921262      1.219647      6.679347
  C      -4.271358      0.494599      7.768898
  C      -2.825838      0.184329      7.402032
  N      -2.228029      1.342662      6.666797
  C      -1.098687      0.912862      5.808827
  C      -1.644023     -0.004135      4.696872
  C      -1.848986      2.427687      7.616968
  C      -1.956537      3.770203      6.916064
  N      -3.149405      3.735625      6.099063
  H      -1.072037      0.190607      3.764641
  H      -1.462252     -1.069050      4.949668
  H      -0.648122      1.820542      5.387453
  H      -0.332134      0.396719      6.414189
  H      -2.025465      4.568322      7.676517
  H      -1.054132      3.989680      6.310804
  H      -2.580820      2.403836      8.434392
  H      -0.845488      2.233509      8.032204
  H      -4.795560     -0.455890      7.991645
  H      -4.311712      1.100274      8.692090
  H      -2.784316     -0.682161      6.736240
  H      -2.221092     -0.033834      8.298560
  C       0.715001     -1.515121     -1.880941
  C      -0.656127     -0.889928     -1.931741
  O      -1.071338     -0.405474     -2.982999
  C      -1.525881     -0.847120     -0.704082
  C      -2.769946     -0.220514     -0.851542
  C      -3.680262     -0.095930      0.198694
  O      -4.857324      0.510671     -0.025082
  C      -3.328691     -0.603642      1.486232
  C      -4.281667     -0.478890      2.591197
  O      -5.419645      0.007549      2.406372
  C      -3.882844     -0.822954      4.024037
  C      -2.086260     -1.251675      1.625870
  C      -1.193596     -1.383004      0.568068
  O       0.006292     -2.029746      0.746433
  C      -9.939585      9.326450      5.211422
  C      -9.856995      7.944486      4.621357
  O     -10.866352      7.472544      4.028625
  C      -8.645407      7.154455      4.762248
  C      -7.503900      7.639149      5.440108
  C      -6.371778      6.865102      5.613515
  O      -5.269002      7.341670      6.275719
  C      -6.330740      5.526133      5.112218
  C      -5.233985      4.627614      5.347665
  O      -5.313668      3.415945      4.907411
  C      -3.934277      4.952391      6.028703
  C      -7.463952      5.047621      4.415414
  C      -8.597711      5.827113      4.228152
  O      -9.652628      5.308609      3.570185
  C     -12.249164      6.138297      6.957539
  C     -10.907989      6.464479      7.578198
  O     -10.724132      7.590832      8.044374
  C      -9.815699      5.443979      7.633018
  C      -8.664998      5.825837      8.342515
  C      -7.556727      4.997493      8.472703
  O      -6.485546      5.436483      9.168200
  C      -7.563208      3.719553      7.834119
  C      -6.352065      2.899491      7.859887
  O      -5.362597      3.242348      8.550707
  C      -6.271605      1.637464      6.998256
  C      -8.717960      3.331656      7.133469
  C      -9.833926      4.155803      7.026966
  O     -10.872554      3.625787      6.312433
  H       1.335528     -1.039188     -1.108458
  H       1.183296     -1.410611     -2.865868
  H       0.645860     -2.576755     -1.603492
  H      -3.024679      0.184443     -1.831424
  H      -5.336320      0.481210      0.866966
  H      -4.824081     -0.909325      4.593809
  H      -3.356989     -1.794245      4.078171
  H      -1.812881     -1.685017      2.589386
  H       0.048159     -2.336035      1.670304
  H      -9.904672      9.263730      6.310540
  H      -9.103069      9.959190      4.882047
  H     -10.887549      9.786040      4.911729
  H      -7.517359      8.646348      5.861849
  H      -5.486289      8.217685      6.642655
  H      -3.439613      5.781260      5.478924
  H      -4.106158      5.345341      7.048684
  H      -7.458176      4.028176      4.032535
  H     -10.346535      6.055522      3.587346
  H     -12.150752      6.059176      5.859197
  H     -12.677718      5.206815      7.358229
  H     -12.938332      6.966179      7.158223
  H      -8.650868      6.815567      8.798829
  H      -5.824190      4.671843      9.116257
  H      -6.825110      1.818937      6.067904
  H      -6.819613      0.834998      7.533453
  H      -8.765849      2.369491      6.625168
  H     -11.508978      4.321396      6.071710
  N      -3.476791      2.470340      3.384849
  N      -3.704133      2.637437      2.199361
  H      -2.955568      3.212157      1.740711
95
Coordinates from ORCA-job orca E -6715.300502821044
  N      -3.055530      0.227744      4.572744
  Mo     -3.808603      2.073276      5.255429
  N      -4.923079      1.212745      6.683597
  C      -4.272608      0.487309      7.772626
  C      -2.827001      0.178928      7.405689
  N      -2.229434      1.339614      6.673658
  C      -1.098102      0.913315      5.816570
  C      -1.640159     -0.002322      4.701673
  C      -1.853234      2.423630      7.626464
  C      -1.962822      3.767429      6.928150
  N      -3.154450      3.731898      6.109401
  H      -1.067023      0.195627      3.770810
  H      -1.456149     -1.067292      4.952816
  H      -0.648283      1.822549      5.397608
  H      -0.331421      0.397470      6.422102
  H      -2.034257      4.564097      7.689995
  H      -1.059997      3.990053      6.324437
  H      -2.585628      2.396696      8.443345
  H      -0.849751      2.230390      8.042169
  H      -4.795675     -0.464014      7.994799
  H      -4.313453      1.092089      8.696400
  H      -2.783647     -0.686176      6.738142
  H      -2.223271     -0.040827      8.302641
  C       0.706312     -1.504783     -1.892611
  C      -0.664614     -0.878474     -1.937720
  O      -1.082373     -0.391070     -2.986690
  C      -1.531149     -0.838445     -0.707754
  C      -2.775898     -0.212111     -0.850768
  C      -3.683745     -0.089972      0.202033
  O      -4.861514      0.516256     -0.018607
  C      -3.329224     -0.600698      1.487964
  C      -4.279768     -0.479691      2.595552
  O      -5.417836      0.008534      2.416029
  C      -3.876972     -0.826216      4.026498
  C      -2.085908     -1.248250      1.622918
  C      -1.195626     -1.376634      0.562680
  O       0.005356     -2.022541      0.737316
  C      -9.936864      9.327276      5.192590
  C      -9.857637      7.941790      4.610427
  O     -10.867475      7.470889      4.017253
  C      -8.647802      7.149713      4.755612
  C      -7.505818      7.636042      5.431703
  C      -6.374515      6.861614      5.609295
  O      -5.270961      7.341195      6.268164
  C      -6.334574      5.520190      5.114197
  C      -5.237834      4.622273      5.352091
  O      -5.316603      3.409894      4.913350
  C      -3.938219      4.948878      6.032971
  C      -7.468143      5.040020      4.419103
  C      -8.601255      5.819504      4.227706
  O      -9.655702      5.298772      3.570923
  C     -12.243221      6.144113      6.958139
  C     -10.899208      6.469803      7.572854
  O     -10.712374      7.597025      8.035825
  C      -9.808916      5.447035      7.629039
  C      -8.655131      5.829924      8.333077
  C      -7.548960      4.999107      8.465645
  O      -6.474801      5.438537      9.156198
  C      -7.560808      3.717552      7.834577
  C      -6.351661      2.894432      7.863148
  O      -5.360260      3.239567      8.550024
  C      -6.273129      1.630964      7.003353
  C      -8.718044      3.328792      7.138677
  C      -9.832144      4.155352      7.030182
  O     -10.873856      3.624056      6.321256
  H       1.330049     -1.030338     -1.121699
  H       1.171178     -1.399433     -2.879128
  H       0.637358     -2.566775     -1.616082
  H      -3.033294      0.194624     -1.829302
  H      -5.339599      0.484184      0.874139
  H      -4.816953     -0.916012      4.597647
  H      -3.347823     -1.795865      4.079141
  H      -1.809747     -1.683854      2.584644
  H       0.049700     -2.330383      1.660592
  H      -9.902020      9.271620      6.292128
  H      -9.098698      9.956245      4.859759
  H     -10.883633      9.787468      4.889827
  H      -7.517862      8.645686      5.847891
  H      -5.487701      8.218964      6.631318
  H      -3.442888      5.774748      5.478952
  H      -4.110068      5.347462      7.050735
  H      -7.462907      4.018952      4.040243
  H     -10.348839      6.046838      3.583094
  H     -12.149571      6.055603      5.860057
  H     -12.674012      5.217256      7.367503
  H     -12.928531      6.976175      7.154994
  H      -8.637266      6.822295      8.783729
  H      -5.816554      4.671171      9.108287
  H      -6.827682      1.811333      6.073388
  H      -6.820865      0.829068      7.539769
  H      -8.769350      2.363732      6.636051
  H     -11.507830      4.320327      6.075811
  N      -3.472808      2.472717      3.394542
  N      -3.692549      2.641038      2.207822
  H      -2.940900      3.217208      1.755577
95
Coordinates from ORCA-job orca E -6715.300510117663
  N      -3.055759      0.225745      4.575287
  Mo     -3.810555      2.070394      5.259717
  N      -4.924834      1.207939      6.687296
  C      -4.273467      0.482374      7.775622
  C      -2.828062      0.175094      7.407804
  N      -2.231113      1.337020      6.677079
  C      -1.099210      0.912340      5.820062
  C      -1.640250     -0.003230      4.704551
  C      -1.855920      2.420522      7.631006
  C      -1.966875      3.764992      6.934267
  N      -3.157902      3.728805      6.114891
  H      -1.066863      0.195371      3.773977
  H      -1.455375     -1.068083      4.955664
  H      -0.650146      1.822189      5.401612
  H      -0.331973      0.397061      6.425357
  H      -2.039538      4.560895      7.696824
  H      -1.063940      3.989373      6.331212
  H      -2.588150      2.391828      8.447966
  H      -0.852226      2.227779      8.046365
  H      -4.795627     -0.469362      7.998258
  H      -4.313846      1.086803      8.699626
  H      -2.784125     -0.689073      6.739143
  H      -2.224485     -0.045699      8.304655
  C       0.701806     -1.494331     -1.898588
  C      -0.670813     -0.871522     -1.941162
  O      -1.091785     -0.385564     -2.989553
  C      -1.534603     -0.832448     -0.709470
  C      -2.781936     -0.210669     -0.850617
  C      -3.687876     -0.090279      0.203939
  O      -4.868415      0.511334     -0.014790
  C      -3.329293     -0.598496      1.489665
  C      -4.279026     -0.480451      2.597955
  O      -5.418668      0.004632      2.419612
  C      -3.875318     -0.829382      4.027903
  C      -2.083352     -1.241245      1.622890
  C      -1.194564     -1.367458      0.561134
  O       0.009387     -2.008131      0.734493
  C      -9.933575      9.329595      5.184539
  C      -9.855695      7.942562      4.605914
  O     -10.865872      7.470839      4.014076
  C      -8.646652      7.149775      4.752642
  C      -7.503029      7.636980      5.425142
  C      -6.372473      6.861740      5.603785
  O      -5.267078      7.342773      6.258324
  C      -6.335223      5.518361      5.113731
  C      -5.239264      4.619730      5.352750
  O      -5.319894      3.406290      4.917793
  C      -3.938519      4.946990      6.031531
  C      -7.470656      5.037320      4.422257
  C      -8.602924      5.817653      4.229650
  O      -9.659533      5.296237      3.576788
  C     -12.237803      6.146184      6.949914
  C     -10.895265      6.470675      7.568376
  O     -10.708020      7.598329      8.029896
  C      -9.805993      5.446907      7.627285
  C      -8.650972      5.831012      8.328611
  C      -7.545773      4.999199      8.463452
  O      -6.470549      5.439539      9.151781
  C      -7.559869      3.715605      7.836749
  C      -6.351102      2.891612      7.865939
  O      -5.359670      3.236664      8.552372
  C      -6.274397      1.626314      7.008468
  C      -8.718391      3.325427      7.144004
  C      -9.831702      4.152815      7.033756
  O     -10.875599      3.619502      6.329790
  H       1.326560     -1.016433     -1.130658
  H       1.163565     -1.390187     -2.886675
  H       0.636304     -2.555801     -1.619243
  H      -3.043009      0.193758     -1.829118
  H      -5.344418      0.478157      0.878987
  H      -4.815250     -0.921342      4.598819
  H      -3.344024     -1.797765      4.080133
  H      -1.803510     -1.674672      2.584541
  H       0.056953     -2.314327      1.658147
  H      -9.896274      9.277539      6.284171
  H      -9.096007      9.957579      4.848309
  H     -10.880825      9.789059      4.882195
  H      -7.512898      8.648361      5.837096
  H      -5.482124      8.222067      6.618750
  H      -3.441770      5.768318      5.471831
  H      -4.108960      5.352587      7.046661
  H      -7.467489      4.014860      4.047132
  H     -10.351024      6.045747      3.587037
  H     -12.141389      6.052750      5.852517
  H     -12.671968      5.221870      7.361517
  H     -12.921651      6.980623      7.141595
  H      -8.631517      6.825024      8.775567
  H      -5.814009      4.670638      9.107531
  H      -6.830362      1.805429      6.079137
  H      -6.821588      0.825164      7.546583
  H      -8.771237      2.358351      6.645483
  H     -11.508443      4.315613      6.080978
  N      -3.472970      2.471905      3.400211
  N      -3.688630      2.640147      2.212591
  H      -2.935964      3.217781      1.764115
95
Coordinates from ORCA-job orca E -6715.300517098938
  N      -3.055537      0.227531      4.575759
  Mo     -3.813241      2.071029      5.262024
  N      -4.926070      1.205242      6.689647
  C      -4.272460      0.479997      7.776900
  C      -2.826983      0.174643      7.407413
  N      -2.231822      1.338276      6.677557
  C      -1.099473      0.915687      5.819979
  C      -1.639700      0.000382      4.703737
  C      -1.857314      2.420902      7.632911
  C      -1.971422      3.766300      6.938837
  N      -3.162843      3.728876      6.120434
  H      -1.067021      0.200556      3.773041
  H      -1.453307     -1.064452      4.953906
  H      -0.651453      1.826373      5.402248
  H      -0.331523      0.400843      6.424699
  H      -2.044891      4.561026      7.702560
  H      -1.069280      3.993235      6.335399
  H      -2.588255      2.389053      8.450882
  H      -0.852672      2.229184      8.046382
  H      -4.792903     -0.472404      8.000706
  H      -4.312089      1.084319      8.701058
  H      -2.782549     -0.688351      6.737373
  H      -2.222717     -0.046947      8.303613
  C       0.698927     -1.510266     -1.904645
  C      -0.669542     -0.878146     -1.945005
  O      -1.088789     -0.389455     -2.992881
  C      -1.531785     -0.834548     -0.712584
  C      -2.776811     -0.207665     -0.852790
  C      -3.681291     -0.083223      0.202399
  O      -4.859369      0.523836     -0.015010
  C      -3.324227     -0.593287      1.487874
  C      -4.273766     -0.473244      2.595797
  O      -5.411311      0.017379      2.418003
  C      -3.872987     -0.827767      4.024925
  C      -2.080755     -1.240800      1.620227
  C      -1.192964     -1.370314      0.558031
  O       0.008935     -2.014983      0.730875
  C      -9.934693      9.332676      5.183024
  C      -9.857239      7.945302      4.605228
  O     -10.867275      7.473094      4.013803
  C      -8.648637      7.151985      4.753162
  C      -7.504167      7.639584      5.423610
  C      -6.374072      6.863825      5.602876
  O      -5.267570      7.345393      6.254954
  C      -6.338563      5.519414      5.115704
  C      -5.242957      4.620191      5.354898
  O      -5.324716      3.406380      4.922207
  C      -3.941417      4.947738      6.032435
  C      -7.475166      5.037676      4.426542
  C      -8.606872      5.818653      4.233230
  O      -9.665046      5.296880      3.582915
  C     -12.235680      6.145363      6.945992
  C     -10.893812      6.469663      7.565982
  O     -10.707529      7.596524      8.029592
  C      -9.805040      5.445287      7.626672
  C      -8.649533      5.830006      8.326748
  C      -7.545127      4.997363      8.463524
  O      -6.469313      5.438326      9.150719
  C      -7.560665      3.712443      7.839698
  C      -6.352292      2.887492      7.870066
  O      -5.361104      3.232575      8.556366
  C      -6.275730      1.621663      7.012976
  C      -8.719612      3.321704      7.148097
  C      -9.832203      4.149807      7.036206
  O     -10.877354      3.615511      6.334877
  H       1.328848     -1.034671     -1.139504
  H       1.158818     -1.411379     -2.894134
  H       0.627080     -2.570611     -1.622651
  H      -3.037195      0.197658     -1.831096
  H      -5.334377      0.492206      0.879466
  H      -4.814023     -0.921471      4.593836
  H      -3.340308     -1.795207      4.076721
  H      -1.801748     -1.675398      2.581633
  H       0.056090     -2.321024      1.654599
  H      -9.895128      9.281838      6.282649
  H      -9.097957      9.960712      4.844771
  H     -10.882625      9.791519      4.881879
  H      -7.512744      8.652010      5.832994
  H      -5.481770      8.225139      6.614783
  H      -3.443689      5.765742      5.468572
  H      -4.111404      5.358252      7.045565
  H      -7.473328      4.014396      4.053665
  H     -10.354880      6.047970      3.591027
  H     -12.138189      6.048212      5.849061
  H     -12.671224      5.222632      7.359757
  H     -12.918851      6.981029      7.134575
  H      -8.629117      6.824999      8.771471
  H      -5.813948      4.668277      9.108879
  H      -6.833500      1.800088      6.084582
  H      -6.821314      0.820066      7.551993
  H      -8.773221      2.353356      6.652178
  H     -11.507187      4.312352      6.080489
  N      -3.474150      2.476609      3.404450
  N      -3.684727      2.647522      2.216237
  H      -2.933707      3.232334      1.774075
95
Coordinates from ORCA-job orca E -6715.300521857996
  N      -3.059344      0.226445      4.575450
  Mo     -3.817934      2.069598      5.262855
  N      -4.928078      1.201475      6.692138
  C      -4.271324      0.476892      7.777894
  C      -2.826016      0.173240      7.405781
  N      -2.233401      1.337993      6.675322
  C      -1.101941      0.917154      5.815581
  C      -1.642909      0.001204      4.700358
  C      -1.858359      2.420215      7.631033
  C      -1.976029      3.766265      6.939188
  N      -3.168595      3.727432      6.122919
  H      -1.072212      0.201828      3.768530
  H      -1.454926     -1.063450      4.950280
  H      -0.656033      1.828573      5.397213
  H      -0.332185      0.403382      6.418906
  H      -2.049798      4.559865      7.704095
  H      -1.075148      3.995740      6.334687
  H      -2.587200      2.385764      8.450741
  H      -0.852371      2.229488      8.041671
  H      -4.790104     -0.476050      8.003258
  H      -4.309514      1.081358      8.702096
  H      -2.781940     -0.689067      6.734860
  H      -2.219908     -0.048267      8.300703
  C       0.703168     -1.515446     -1.902615
  C      -0.664143     -0.880970     -1.944452
  O      -1.080701     -0.390092     -2.992424
  C      -1.527349     -0.835137     -0.712835
  C      -2.772036     -0.207894     -0.854934
  C      -3.677391     -0.081635      0.199200
  O      -4.854679      0.526542     -0.019613
  C      -3.321955     -0.591011      1.485563
  C      -4.272736     -0.471090      2.592290
  O      -5.409552      0.021389      2.413812
  C      -3.874886     -0.828708      4.021279
  C      -2.078634     -1.238402      1.619899
  C      -1.189689     -1.369032      0.558836
  O       0.012447     -2.012739      0.733693
  C      -9.933603      9.337249      5.181385
  C      -9.858968      7.948919      4.605662
  O     -10.869582      7.478023      4.014359
  C      -8.651427      7.153806      4.754196
  C      -7.505321      7.641468      5.421644
  C      -6.376013      6.864646      5.601022
  O      -5.267547      7.346480      6.249432
  C      -6.343310      5.518944      5.117339
  C      -5.248221      4.618870      5.356268
  O      -5.331632      3.404514      4.925977
  C      -3.945282      4.946761      6.031129
  C      -7.481710      5.036770      4.431342
  C      -8.612505      5.819025      4.237619
  O      -9.672514      5.297236      3.590142
  C     -12.231882      6.147139      6.944653
  C     -10.890370      6.470411      7.565961
  O     -10.703003      7.597517      8.028424
  C      -9.802447      5.444987      7.627929
  C      -8.645777      5.830329      8.325504
  C      -7.542229      4.996654      8.463416
  O      -6.464865      5.438478      9.147749
  C      -7.560129      3.710062      7.843266
  C      -6.352715      2.883395      7.874754
  O      -5.361181      3.228232      8.560325
  C      -6.277273      1.616642      7.018683
  C      -8.720263      3.318845      7.153901
  C      -9.831973      4.147946      7.041047
  O     -10.879177      3.612578      6.343448
  H       1.333834     -1.038754     -1.138737
  H       1.163197     -1.419506     -2.892321
  H       0.629837     -2.574937     -1.617935
  H      -3.031405      0.196490     -1.833894
  H      -5.330039      0.496248      0.874947
  H      -4.816974     -0.924157      4.588220
  H      -3.340802     -1.795253      4.073013
  H      -1.800314     -1.671673      2.582124
  H       0.058848     -2.317365      1.657928
  H      -9.891214      9.288195      6.280967
  H      -9.096941      9.963733      4.840025
  H     -10.881678      9.796751      4.881746
  H      -7.511777      8.655078      5.828094
  H      -5.479893      8.227416      6.607457
  H      -3.447181      5.761771      5.463101
  H      -4.113851      5.361645      7.042693
  H      -7.481920      4.012542      4.061156
  H     -10.360199      6.050527      3.595295
  H     -12.132819      6.045320      5.848319
  H     -12.669963      5.226927      7.361310
  H     -12.913559      6.984936      7.128977
  H      -8.623681      6.826527      8.767412
  H      -5.810277      4.667622      9.106621
  H      -6.837546      1.794065      6.091585
  H      -6.820893      0.815109      7.559728
  H      -8.775534      2.349011      6.661128
  H     -11.505926      4.310200      6.083633
  N      -3.479002      2.478668      3.406837
  N      -3.686679      2.652104      2.218483
  H      -2.935447      3.238473      1.779163
95
Coordinates from ORCA-job orca E -6715.300526994558
  N      -3.062451      0.223989      4.578280
  Mo     -3.820458      2.067122      5.265793
  N      -4.928278      1.198167      6.697445
  C      -4.268816      0.474933      7.782207
  C      -2.823778      0.172532      7.408034
  N      -2.233365      1.337428      6.675800
  C      -1.103214      0.917192      5.813944
  C      -1.645363      0.000409      4.700265
  C      -1.857356      2.420073      7.630790
  C      -1.978449      3.766301      6.940042
  N      -3.172313      3.725680      6.126172
  H      -1.076746      0.201167      3.767201
  H      -1.456019     -1.064090      4.949981
  H      -0.659057      1.828958      5.394490
  H      -0.331895      0.404408      6.416120
  H      -2.052475      4.559097      7.705833
  H      -1.078844      3.998002      6.334357
  H      -2.584074      2.384143      8.452301
  H      -0.850074      2.230427      8.038738
  H      -4.786155     -0.478453      8.009099
  H      -4.305971      1.079838      8.706244
  H      -2.780409     -0.689891      6.737150
  H      -2.215717     -0.047847      8.301818
  C       0.700003     -1.516490     -1.904730
  C      -0.663398     -0.873578     -1.943801
  O      -1.077220     -0.376121     -2.989767
  C      -1.527163     -0.829557     -0.712424
  C      -2.769903     -0.198157     -0.853076
  C      -3.675463     -0.072820      0.200942
  O      -4.850778      0.539984     -0.015950
  C      -3.322249     -0.587952      1.485649
  C      -4.273279     -0.469550      2.592298
  O      -5.408642      0.026789      2.414687
  C      -3.876842     -0.830326      4.020867
  C      -2.080830     -1.239412      1.618546
  C      -1.191647     -1.368839      0.557533
  O       0.008755     -2.016176      0.730777
  C      -9.931813      9.339425      5.175874
  C      -9.858644      7.950320      4.601935
  O     -10.869711      7.479561      4.011436
  C      -8.652171      7.153724      4.752543
  C      -7.504775      7.641925      5.417388
  C      -6.376297      6.864132      5.597860
  O      -5.266325      7.346622      6.243165
  C      -6.346019      5.516887      5.118264
  C      -5.251431      4.616341      5.357740
  O      -5.336130      3.401069      4.930228
  C      -3.947228      4.945363      6.029760
  C      -7.485907      5.033898      4.435184
  C      -8.615697      5.817306      4.240221
  O      -9.677473      5.295111      3.595800
  C     -12.229333      6.145805      6.939211
  C     -10.888246      6.469474      7.561220
  O     -10.700618      7.597196      8.022165
  C      -9.800782      5.443540      7.625901
  C      -8.643660      5.830677      8.321503
  C      -7.540618      4.996734      8.461906
  O      -6.462823      5.440281      9.144517
  C      -7.559417      3.708155      7.846133
  C      -6.352256      2.880946      7.879500
  O      -5.360461      3.227259      8.563784
  C      -6.277182      1.612107      7.026296
  C      -8.720157      3.315188      7.158684
  C      -9.831504      4.144454      7.043672
  O     -10.879860      3.606841      6.349225
  H       1.334237     -1.044319     -1.140957
  H       1.159429     -1.421313     -2.894793
  H       0.621253     -2.575941     -1.621510
  H      -3.027530      0.210517     -1.830715
  H      -5.326667      0.507334      0.878392
  H      -4.819515     -0.927253      4.586507
  H      -3.342216     -1.796672      4.071341
  H      -1.804340     -1.676853      2.579368
  H       0.053841     -2.324032      1.654015
  H      -9.886683      9.291734      6.275370
  H      -9.095786      9.965134      4.831477
  H     -10.880399      9.798877      4.877852
  H      -7.509453      8.656856      5.820536
  H      -5.476880      8.229301      6.597976
  H      -3.448864      5.757304      5.457466
  H      -4.114364      5.364872      7.039698
  H      -7.488048      4.008478      4.068397
  H     -10.363229      6.050276      3.597685
  H     -12.128503      6.039674      5.843463
  H     -12.669038      5.227733      7.358788
  H     -12.910298      6.985089      7.119276
  H      -8.620846      6.828339      8.760023
  H      -5.808982      4.668602      9.106367
  H      -6.839732      1.787034      6.100100
  H      -6.818523      0.811181      7.570495
  H      -8.776184      2.343682      6.669304
  H     -11.503800      4.304568      6.082994
  N      -3.477942      2.478871      3.411886
  N      -3.680293      2.655781      2.223122
  H      -2.928291      3.243914      1.788219
95
Coordinates from ORCA-job orca E -6715.300529766830
  N      -3.066031      0.222166      4.578877
  Mo     -3.822488      2.065753      5.265704
  N      -4.928738      1.197206      6.699398
  C      -4.267657      0.474734      7.783582
  C      -2.822851      0.172601      7.407910
  N      -2.233643      1.337134      6.674102
  C      -1.104886      0.916613      5.810505
  C      -1.648579     -0.000848      4.698359
  C      -1.855974      2.420067      7.628137
  C      -1.978913      3.766244      6.937460
  N      -3.174078      3.724743      6.125691
  H      -1.081778      0.199608      3.764127
  H      -1.458492     -1.065240      4.948076
  H      -0.661834      1.828362      5.389841
  H      -0.332489      0.404347      6.411741
  H      -2.052505      4.558751      7.703653
  H      -1.080356      3.998899      6.330568
  H      -2.580972      2.384187      8.451179
  H      -0.847822      2.230735      8.034032
  H      -4.784372     -0.478880      8.011103
  H      -4.304107      1.079766      8.707592
  H      -2.780425     -0.690368      6.737625
  H      -2.213296     -0.046632      8.300920
  C       0.703709     -1.517717     -1.901315
  C      -0.657953     -0.871187     -1.941130
  O      -1.068198     -0.368935     -2.986196
  C      -1.523900     -0.828425     -0.711153
  C      -2.765568     -0.195254     -0.852944
  C      -3.672784     -0.070462      0.199739
  O      -4.847164      0.543591     -0.018247
  C      -3.322168     -0.587621      1.484292
  C      -4.274418     -0.468780      2.589960
  O      -5.409089      0.028709      2.411017
  C      -3.880399     -0.830627      4.018987
  C      -2.081846     -1.241088      1.618297
  C      -1.191177     -1.370280      0.558446
  O       0.008042     -2.019525      0.732746
  C      -9.930207      9.341477      5.175260
  C      -9.859181      7.951727      4.602652
  O     -10.871742      7.481219      4.014548
  C      -8.653287      7.154020      4.753064
  C      -7.504497      7.642663      5.415230
  C      -6.376339      6.864262      5.595596
  O      -5.265081      7.347290      6.238307
  C      -6.347742      5.516131      5.118394
  C      -5.253189      4.615364      5.357484
  O      -5.338813      3.399716      4.931281
  C      -3.948147      4.944781      6.027682
  C      -7.488984      5.032703      4.437985
  C      -8.618519      5.816574      4.243362
  O      -9.681639      5.293582      3.601806
  C     -12.229513      6.145177      6.940747
  C     -10.887781      6.469546      7.560856
  O     -10.699547      7.597708      8.020583
  C      -9.800569      5.443290      7.626066
  C      -8.642856      5.831147      8.320246
  C      -7.540116      4.996940      8.461380
  O      -6.461867      5.441142      9.142767
  C      -7.559593      3.707468      7.847636
  C      -6.352543      2.880205      7.881408
  O      -5.360461      3.227447      8.564927
  C      -6.277535      1.610513      7.029479
  C      -8.720882      3.313865      7.161419
  C      -9.832057      4.143302      7.045905
  O     -10.881039      3.604952      6.352768
  H       1.338046     -1.047861     -1.136158
  H       1.164684     -1.422039     -2.890626
  H       0.622363     -2.577339     -1.619571
  H      -3.020984      0.215241     -1.830402
  H      -5.324592      0.510235      0.875248
  H      -4.823784     -0.927532      4.583267
  H      -3.346758     -1.797694      4.068870
  H      -1.807679     -1.680325      2.578966
  H       0.051084     -2.328901      1.655571
  H      -9.881961      9.294495      6.274643
  H      -9.094915      9.966387      4.827610
  H     -10.879429      9.801105      4.879572
  H      -7.507812      8.658366      5.816478
  H      -5.474083      8.231430      6.590407
  H      -3.449900      5.755565      5.453644
  H      -4.114101      5.366106      7.037101
  H      -7.492425      4.006569      4.073207
  H     -10.366746      6.049356      3.602247
  H     -12.129316      6.037872      5.845055
  H     -12.668812      5.227649      7.361863
  H     -12.910312      6.984740      7.120233
  H      -8.619319      6.829516      8.757101
  H      -5.808486      4.669058      9.105967
  H      -6.841352      1.783957      6.103781
  H      -6.817451      0.809968      7.575687
  H      -8.777512      2.341831      6.673106
  H     -11.503635      4.302837      6.083843
  N      -3.479385      2.479573      3.412857
  N      -3.681055      2.659839      2.224477
  H      -2.929572      3.249935      1.791343
95
Coordinates from ORCA-job orca E -6715.300530394464
  N      -3.068200      0.220952      4.579044
  Mo     -3.823656      2.064815      5.265456
  N      -4.929054      1.196454      6.700305
  C      -4.267119      0.474410      7.784221
  C      -2.822517      0.172384      7.407561
  N      -2.233829      1.336682      6.672951
  C      -1.105915      0.915732      5.808400
  C      -1.650654     -0.001996      4.697043
  C      -1.854897      2.419690      7.626357
  C      -1.978993      3.765864      6.935663
  N      -3.175025      3.723909      6.125299
  H      -1.084965      0.198364      3.762105
  H      -1.460135     -1.066353      4.946644
  H      -0.663260      1.827349      5.387030
  H      -0.333063      0.403572      6.409150
  H      -2.052232      4.558196      7.702117
  H      -1.081165      3.999119      6.327924
  H      -2.578678      2.384063      8.450501
  H      -0.846183      2.230449      8.030847
  H      -4.783498     -0.479384      8.011905
  H      -4.303226      1.079390      8.708266
  H      -2.780629     -0.690998      6.737791
  H      -2.212101     -0.046167      8.300167
  C       0.705782     -1.518664     -1.898613
  C      -0.653785     -0.867716     -1.938485
  O      -1.061309     -0.361862     -2.982851
  C      -1.521616     -0.826495     -0.709742
  C      -2.762157     -0.191304     -0.852075
  C      -3.670699     -0.067277      0.199620
  O      -4.843985      0.548431     -0.019051
  C      -3.322346     -0.586808      1.483775
  C      -4.275674     -0.467836      2.588606
  O      -5.409512      0.031252      2.408816
  C      -3.883195     -0.830503      4.017871
  C      -2.083129     -1.242347      1.618287
  C      -1.191420     -1.371297      0.559238
  O       0.006459     -2.022912      0.734032
  C      -9.929743      9.342397      5.172587
  C      -9.859910      7.951404      4.602766
  O     -10.872696      7.480719      4.015157
  C      -8.654178      7.153554      4.753237
  C      -7.504690      7.642568      5.413949
  C      -6.376673      6.863869      5.594326
  O      -5.264736      7.347447      6.235494
  C      -6.348879      5.515210      5.118520
  C      -5.254109      4.614557      5.357183
  O      -5.340147      3.398767      4.931569
  C      -3.948682      4.944213      6.026516
  C      -7.490832      5.031586      4.439537
  C      -8.620228      5.815656      4.245000
  O      -9.683977      5.292474      3.604665
  C     -12.229707      6.144230      6.943246
  C     -10.887559      6.469323      7.561930
  O     -10.698360      7.598457      8.018841
  C      -9.800203      5.443181      7.626870
  C      -8.641613      5.831847      8.319190
  C      -7.538914      4.997579      8.460458
  O      -6.459988      5.442551      9.140105
  C      -7.559188      3.707217      7.848538
  C      -6.352399      2.879723      7.882439
  O      -5.359900      3.227366      8.565320
  C      -6.277692      1.609796      7.031010
  C      -8.721175      3.313006      7.163859
  C      -9.832348      4.142456      7.048436
  O     -10.882123      3.603392      6.357008
  H       1.340801     -1.051938     -1.132085
  H       1.168035     -1.422550     -2.887294
  H       0.621145     -2.578508     -1.618701
  H      -3.015477      0.221465     -1.829124
  H      -5.322559      0.514966      0.873782
  H      -4.826863     -0.926952      4.581645
  H      -3.350908     -1.798441      4.067067
  H      -1.811042     -1.683679      2.578588
  H       0.047648     -2.334068      1.656337
  H      -9.880285      9.297370      6.271982
  H      -9.094690      9.966310      4.822564
  H     -10.879166      9.801762      4.877139
  H      -7.507198      8.658754      5.813976
  H      -5.472804      8.232645      6.585481
  H      -3.450515      5.754420      5.451583
  H      -4.113794      5.366551      7.035660
  H      -7.494833      4.005130      4.075643
  H     -10.368618      6.048557      3.604389
  H     -12.130168      6.036190      5.847561
  H     -12.668544      5.226959      7.365359
  H     -12.910446      6.983923      7.122425
  H      -8.617357      6.830857      8.754552
  H      -5.806761      4.670307      9.103929
  H      -6.842161      1.782512      6.105583
  H      -6.816987      0.809545      7.578338
  H      -8.778505      2.340491      6.676548
  H     -11.504705      4.301109      6.087614
  N      -3.480124      2.480073      3.413384
  N      -3.681261      2.662848      2.225285
  H      -2.929745      3.254182      1.793764
95
Coordinates from ORCA-job orca E -6715.300531043605
  N      -3.068477      0.220918      4.579104
  Mo     -3.823792      2.064782      5.265598
  N      -4.928988      1.196124      6.700575
  C      -4.266916      0.474204      7.784469
  C      -2.822426      0.172332      7.407512
  N      -2.233782      1.336641      6.672871
  C      -1.106016      0.915482      5.808201
  C      -1.651020     -0.002232      4.696909
  C      -1.854500      2.419614      7.626122
  C      -1.978923      3.765828      6.935476
  N      -3.175105      3.723784      6.125414
  H      -1.085475      0.198065      3.761863
  H      -1.460466     -1.066587      4.946529
  H      -0.663276      1.826988      5.386685
  H      -0.333164      0.403266      6.408901
  H      -2.052111      4.558115      7.701995
  H      -1.081272      3.999288      6.327541
  H      -2.577903      2.384075      8.450609
  H      -0.845633      2.230368      8.030201
  H      -4.783121     -0.479703      8.012118
  H      -4.303020      1.079100      8.708541
  H      -2.780469     -0.691131      6.737892
  H      -2.211907     -0.046126      8.300103
  C       0.705774     -1.518509     -1.897749
  C      -0.653556     -0.867071     -1.937777
  O      -1.060054     -0.359569     -2.981732
  C      -1.521743     -0.826091     -0.709306
  C      -2.762186     -0.190754     -0.851815
  C      -3.671004     -0.066891      0.199695
  O      -4.844290      0.548583     -0.019427
  C      -3.322853     -0.586336      1.483939
  C      -4.276335     -0.467081      2.588641
  O      -5.410126      0.032044      2.408696
  C      -3.883945     -0.830081      4.017839
  C      -2.083716     -1.241984      1.618594
  C      -1.191901     -1.371085      0.559661
  O       0.005825     -2.022941      0.734699
  C      -9.928804      9.343050      5.172525
  C      -9.859482      7.951832      4.603136
  O     -10.872942      7.480778      4.016949
  C      -8.653913      7.153829      4.753346
  C      -7.503945      7.642948      5.413124
  C      -6.376010      6.864107      5.593284
  O      -5.263650      7.347914      6.233536
  C      -6.348746      5.515151      5.118297
  C      -5.253927      4.614543      5.356820
  O      -5.340272      3.398612      4.931742
  C      -3.948296      4.944310      6.025715
  C      -7.491242      5.031449      4.440324
  C      -8.620606      5.815599      4.245991
  O      -9.684902      5.292207      3.606765
  C     -12.230257      6.143075      6.943277
  C     -10.887695      6.468762      7.560725
  O     -10.698846      7.597763      8.017977
  C      -9.800292      5.442693      7.625968
  C      -8.641723      5.831582      8.318262
  C      -7.539032      4.997349      8.459980
  O      -6.460211      5.442389      9.139662
  C      -7.559237      3.706816      7.848387
  C      -6.352412      2.879452      7.882504
  O      -5.360140      3.227108      8.565720
  C      -6.277598      1.609510      7.031227
  C      -8.721126      3.312388      7.163736
  C      -9.832298      4.141777      7.047948
  O     -10.881865      3.602555      6.356426
  H       1.340645     -1.052468     -1.130684
  H       1.168498     -1.421970     -2.886163
  H       0.620680     -2.578476     -1.618455
  H      -3.015152      0.222211     -1.828868
  H      -5.323142      0.515349      0.873225
  H      -4.827548     -0.926196      4.581791
  H      -3.352332     -1.798400      4.066747
  H      -1.811888     -1.683375      2.578938
  H       0.046713     -2.334189      1.656983
  H      -9.878128      9.298572      6.271889
  H      -9.094245      9.966922      4.821293
  H     -10.878622      9.802136      4.877909
  H      -7.505878      8.659396      5.812463
  H      -5.471166      8.233642      6.582488
  H      -3.449962      5.753833      5.449919
  H      -4.112833      5.367733      7.034475
  H      -7.495658      4.004785      4.077014
  H     -10.369542      6.048241      3.606920
  H     -12.131760      6.035287      5.847474
  H     -12.668310      5.225507      7.365567
  H     -12.911173      6.982461      7.123203
  H      -8.617495      6.830733      8.753307
  H      -5.807177      4.669942      9.104150
  H      -6.842120      1.781949      6.105798
  H      -6.816835      0.809281      7.578705
  H      -8.778389      2.339784      6.676608
  H     -11.504746      4.300117      6.087330
  N      -3.480044      2.480316      3.413801
  N      -3.680680      2.663676      2.225647
  H      -2.928492      3.254715      1.794890
