96
Coordinates from ORCA-job orca E -6715.827791680817
  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      -1.864102      3.768021      2.571957
  H      -0.863458      3.948700      2.653416
  H      -2.326042      4.040297      1.704175
96
Coordinates from ORCA-job orca E -6715.844461517486
  N      -2.846620      0.541661      4.424667
  Mo     -3.579385      2.276093      5.104385
  N      -4.838043      1.444424      6.318407
  C      -4.381754      0.660082      7.460533
  C      -2.905815      0.307212      7.288286
  N      -2.194791      1.452751      6.657632
  C      -0.984937      0.983410      5.947866
  C      -1.423904      0.321847      4.611661
  C      -1.839028      2.458074      7.689184
  C      -1.854402      3.819755      7.006043
  N      -3.061571      3.815705      6.219379
  H      -0.841941      0.765074      3.784782
  H      -1.191806     -0.753781      4.647136
  H      -0.347686      1.851723      5.747386
  H      -0.425940      0.276641      6.581521
  H      -1.856162      4.626861      7.752792
  H      -0.963375      3.955875      6.362080
  H      -2.628236      2.462464      8.449547
  H      -0.874128      2.215202      8.158203
  H      -4.975212     -0.266506      7.567716
  H      -4.525298      1.244202      8.384643
  H      -2.804847     -0.567824      6.640035
  H      -2.445486      0.068854      8.259038
  C       0.276057     -1.629609     -2.114098
  C      -1.215098     -1.413257     -2.065306
  O      -1.864348     -1.344108     -3.105966
  C      -1.909827     -1.276897     -0.748498
  C      -3.290994     -1.051604     -0.804132
  C      -4.082246     -0.905983      0.329705
  O      -5.402380     -0.696018      0.172492
  C      -3.474487     -0.962257      1.618302
  C      -4.287591     -0.770233      2.808083
  O      -5.535269     -0.690171      2.731525
  C      -3.666125     -0.640089      4.205103
  C      -2.089741     -1.206558      1.672161
  C      -1.307417     -1.363896      0.536887
  O       0.029879     -1.605373      0.660112
  C     -10.151756      9.075434      5.502372
  C      -9.878351      7.823014      4.712537
  O     -10.758245      7.392779      3.923315
  C      -8.615886      7.125623      4.880957
  C      -7.648420      7.502138      5.842092
  C      -6.467957      6.805768      6.020734
  O      -5.565676      7.166975      6.981513
  C      -6.188876      5.659263      5.218699
  C      -5.054948      4.795913      5.387783
  O      -4.972015      3.730592      4.685973
  C      -3.891231      5.000355      6.317729
  C      -7.146697      5.298098      4.244001
  C      -8.330137      5.989130      4.070249
  O      -9.210124      5.545450      3.148089
  C     -12.345557      6.208137      6.983639
  C     -11.018550      6.451266      7.671582
  O     -10.882686      7.458684      8.373251
  C      -9.903349      5.484830      7.524573
  C      -8.816284      5.681940      8.393139
  C      -7.692791      4.875798      8.390408
  O      -6.679544      5.177376      9.230633
  C      -7.618026      3.773567      7.487262
  C      -6.397681      2.982089      7.455720
  O      -5.463972      3.213248      8.259474
  C      -6.233379      1.825125      6.452919
  C      -8.707700      3.567520      6.623126
  C      -9.821531      4.398925      6.610908
  O     -10.756776      4.104933      5.662306
  H       0.797587     -0.811184     -1.605725
  H       0.592238     -1.683277     -3.160076
  H       0.542235     -2.557456     -1.595901
  H      -3.762389     -0.996756     -1.783139
  H      -5.789923     -0.686791      1.095936
  H      -4.539077     -0.612725      4.878380
  H      -3.099016     -1.565765      4.412455
  H      -1.609647     -1.293046      2.643864
  H       0.265116     -1.641164      1.603290
  H     -10.366756      8.788990      6.544414
  H      -9.301113      9.764522      5.481919
  H     -11.038769      9.566668      5.091698
  H      -7.855807      8.348837      6.494691
  H      -5.938251      7.891063      7.512921
  H      -3.345926      5.921448      6.031429
  H      -4.237672      5.146995      7.354371
  H      -6.966302      4.422229      3.626467
  H     -10.020744      6.125148      3.255102
  H     -12.270849      6.527854      5.932333
  H     -12.665517      5.161694      7.047408
  H     -13.097901      6.845253      7.459543
  H      -8.863125      6.514787      9.090819
  H      -5.975787      4.488484      9.054124
  H      -6.623958      2.126034      5.473367
  H      -6.855416      0.990327      6.826198
  H      -8.704128      2.753464      5.902731
  H     -11.349790      4.861277      5.517935
  N      -2.487762      3.158466      3.533380
  N      -1.836874      3.691566      2.589981
  H      -0.829195      3.888779      2.673213
  H      -2.290444      3.949961      1.703288
96
Coordinates from ORCA-job orca E -6715.854160595450
  N      -2.829023      0.482109      4.470012
  Mo     -3.515359      2.259097      5.158985
  N      -4.780917      1.463093      6.424824
  C      -4.293709      0.681579      7.571340
  C      -2.831327      0.299868      7.361654
  N      -2.109150      1.432242      6.694446
  C      -0.921063      0.931089      5.943543
  C      -1.402164      0.252805      4.624729
  C      -1.715648      2.458123      7.708067
  C      -1.727996      3.808285      7.009042
  N      -2.951288      3.817916      6.243394
  H      -0.828744      0.677052      3.778032
  H      -1.185766     -0.829860      4.664708
  H      -0.278429      1.793377      5.718511
  H      -0.351980      0.227332      6.577880
  H      -1.703128      4.626545      7.749393
  H      -0.841118      3.923038      6.349115
  H      -2.491019      2.475728      8.486022
  H      -0.742111      2.201149      8.160942
  H      -4.896866     -0.237968      7.705500
  H      -4.403081      1.278296      8.493485
  H      -2.753185     -0.583493      6.716477
  H      -2.343280      0.064389      8.323301
  C       0.128922     -1.566462     -2.177383
  C      -1.349890     -1.270399     -2.078020
  O      -2.014812     -1.112755     -3.102959
  C      -2.028696     -1.159580     -0.733458
  C      -3.397699     -0.855566     -0.762965
  C      -4.168519     -0.719981      0.394431
  O      -5.476418     -0.429342      0.275480
  C      -3.545925     -0.874096      1.670725
  C      -4.341697     -0.701698      2.886148
  O      -5.580780     -0.544323      2.819173
  C      -3.697305     -0.666781      4.280069
  C      -2.174922     -1.195906      1.699103
  C      -1.414441     -1.341755      0.540621
  O      -0.081049     -1.662432      0.621145
  C     -10.066402      9.148295      5.499701
  C      -9.797783      7.867817      4.745877
  O     -10.704986      7.410633      3.986778
  C      -8.531509      7.164463      4.906465
  C      -7.538196      7.550459      5.846454
  C      -6.361247      6.835258      6.020507
  O      -5.430759      7.180975      6.972845
  C      -6.106424      5.667261      5.232402
  C      -4.976117      4.799839      5.410945
  O      -4.909397      3.700302      4.724227
  C      -3.788658      5.012340      6.319976
  C      -7.087412      5.296516      4.274753
  C      -8.269995      6.002717      4.110195
  O      -9.177144      5.565554      3.210625
  C     -12.474179      5.958128      6.713791
  C     -11.185506      6.305993      7.438079
  O     -11.121064      7.369255      8.076298
  C     -10.016335      5.384824      7.392345
  C      -8.970324      5.689075      8.285021
  C      -7.808927      4.937000      8.364573
  O      -6.837224      5.339656      9.215217
  C      -7.651660      3.782551      7.523739
  C      -6.399389      3.037296      7.548562
  O      -5.477304      3.334113      8.363942
  C      -6.184438      1.851953      6.577856
  C      -8.701910      3.473384      6.633712
  C      -9.854242      4.250243      6.539892
  O     -10.743077      3.859368      5.569858
  H       0.716278     -0.804938     -1.637478
  H       0.413753     -1.581958     -3.238319
  H       0.362104     -2.537640     -1.709671
  H      -3.875504     -0.726179     -1.738931
  H      -5.831977     -0.433874      1.221815
  H      -4.557362     -0.621539      4.970216
  H      -3.159513     -1.620710      4.463360
  H      -1.684935     -1.355064      2.665677
  H       0.160757     -1.755154      1.562320
  H     -10.262861      8.911088      6.557670
  H      -9.215635      9.846224      5.445586
  H     -10.964830      9.623504      5.082033
  H      -7.725130      8.414334      6.495237
  H      -5.790256      7.913381      7.508828
  H      -3.239548      5.925851      6.004152
  H      -4.118141      5.191891      7.359838
  H      -6.924691      4.402431      3.667869
  H      -9.971681      6.186172      3.341829
  H     -12.374585      6.207280      5.636825
  H     -12.751645      4.897086      6.829359
  H     -13.277924      6.590541      7.116189
  H      -9.082691      6.564434      8.931286
  H      -6.103237      4.653254      9.094286
  H      -6.594605      2.114320      5.591824
  H      -6.787341      1.008360      6.968570
  H      -8.626474      2.620003      5.952323
  H     -11.357059      4.588837      5.355066
  N      -2.480937      3.057809      3.564055
  N      -1.856849      3.569443      2.573148
  H      -0.844414      3.785113      2.611168
  H      -2.334938      3.793116      1.684411
96
Coordinates from ORCA-job orca E -6715.861309442661
  N      -2.824728      0.426362      4.485627
  Mo     -3.520069      2.228564      5.156212
  N      -4.794697      1.441161      6.443414
  C      -4.291997      0.673256      7.593328
  C      -2.830736      0.295051      7.377204
  N      -2.111466      1.427517      6.700482
  C      -0.922025      0.925681      5.948051
  C      -1.398908      0.218652      4.643276
  C      -1.730752      2.473010      7.703041
  C      -1.758628      3.817642      6.996487
  N      -2.974805      3.812067      6.224391
  H      -0.826971      0.632224      3.790494
  H      -1.174329     -0.862103      4.699785
  H      -0.290842      1.793038      5.712742
  H      -0.344444      0.241321      6.594964
  H      -1.747097      4.639129      7.733621
  H      -0.867098      3.941320      6.344437
  H      -2.508069      2.479926      8.478923
  H      -0.756872      2.225469      8.159373
  H      -4.890631     -0.246494      7.741861
  H      -4.397974      1.280395      8.509681
  H      -2.743634     -0.588827      6.734404
  H      -2.333987      0.069630      8.336404
  C       0.138620     -1.487896     -2.145720
  C      -1.328069     -1.143273     -2.052914
  O      -1.973789     -0.919314     -3.075958
  C      -2.021629     -1.064199     -0.710403
  C      -3.376839     -0.712864     -0.738073
  C      -4.149166     -0.599390      0.422899
  O      -5.445653     -0.261356      0.314502
  C      -3.535444     -0.829947      1.691851
  C      -4.335548     -0.689562      2.913173
  O      -5.565257     -0.480743      2.840936
  C      -3.696018     -0.715405      4.307762
  C      -2.177473     -1.198787      1.715222
  C      -1.419949     -1.320963      0.553200
  O      -0.095094     -1.688853      0.611599
  C     -10.088345      9.081406      5.414660
  C      -9.820801      7.811853      4.645168
  O     -10.726652      7.372475      3.868872
  C      -8.564697      7.099567      4.805271
  C      -7.582272      7.483562      5.755583
  C      -6.412901      6.765585      5.940981
  O      -5.490527      7.102181      6.906276
  C      -6.150549      5.595652      5.158536
  C      -5.019329      4.742986      5.362181
  O      -4.938719      3.626613      4.689407
  C      -3.839239      4.987509      6.272281
  C      -7.119812      5.222266      4.188202
  C      -8.298740      5.933456      4.008624
  O      -9.196800      5.503208      3.097656
  C     -12.386906      6.063979      6.764741
  C     -11.102675      6.370442      7.511690
  O     -11.028784      7.417517      8.173151
  C      -9.949215      5.428527      7.465340
  C      -8.900045      5.699528      8.365857
  C      -7.755190      4.918529      8.433358
  O      -6.764332      5.273851      9.284369
  C      -7.625640      3.776959      7.574908
  C      -6.389604      3.013565      7.593686
  O      -5.473305      3.282672      8.427669
  C      -6.188346      1.845990      6.607257
  C      -8.677952      3.501937      6.675909
  C      -9.811766      4.304560      6.595398
  O     -10.711772      3.945270      5.621611
  H       0.746856     -0.775018     -1.564709
  H       0.435260     -1.468601     -3.202174
  H       0.332958     -2.483802     -1.714319
  H      -3.840295     -0.526378     -1.710409
  H      -5.796994     -0.286186      1.266324
  H      -4.553087     -0.673583      5.001397
  H      -3.164479     -1.675010      4.477676
  H      -1.697306     -1.414232      2.674125
  H       0.138685     -1.829232      1.548119
  H     -10.294530      8.836982      6.471176
  H      -9.232753      9.774210      5.380889
  H     -10.977761      9.569017      4.994049
  H      -7.772862      8.346678      6.403019
  H      -5.862140      7.826742      7.443569
  H      -3.306375      5.907295      5.948003
  H      -4.177184      5.177687      7.307781
  H      -6.949911      4.327876      3.586091
  H      -9.990169      6.139483      3.224725
  H     -12.270583      6.329692      5.693521
  H     -12.685698      5.006552      6.849774
  H     -13.183883      6.703403      7.167396
  H      -8.994937      6.568681      9.021353
  H      -6.057627      4.558327      9.140031
  H      -6.598815      2.124041      5.626525
  H      -6.796303      0.999407      6.983779
  H      -8.614916      2.661670      5.980043
  H     -11.300987      4.694765      5.415812
  N      -2.533733      2.962437      3.563450
  N      -1.940749      3.462903      2.544078
  H      -0.945351      3.732771      2.562175
  H      -2.430405      3.621737      1.652497
96
Coordinates from ORCA-job orca E -6715.868199805921
  N      -2.836012      0.377619      4.492592
  Mo     -3.516468      2.218073      5.151782
  N      -4.798072      1.442707      6.469322
  C      -4.274777      0.687518      7.614072
  C      -2.819328      0.303183      7.379094
  N      -2.098752      1.425468      6.687830
  C      -0.922553      0.910786      5.925866
  C      -1.414357      0.180475      4.641393
  C      -1.710491      2.481312      7.676734
  C      -1.747454      3.822031      6.967722
  N      -2.963639      3.815051      6.204142
  H      -0.847411      0.577552      3.777641
  H      -1.189236     -0.898981      4.713300
  H      -0.295565      1.775504      5.675093
  H      -0.338252      0.239965      6.579056
  H      -1.732469      4.643100      7.704238
  H      -0.857676      3.948566      6.314886
  H      -2.481639      2.483470      8.457675
  H      -0.735261      2.232087      8.126098
  H      -4.871171     -0.230021      7.780881
  H      -4.368023      1.303644      8.525326
  H      -2.737254     -0.580905      6.738451
  H      -2.307766      0.083799      8.330853
  C       0.135370     -1.434759     -2.094635
  C      -1.312230     -1.028380     -2.000807
  O      -1.934163     -0.729260     -3.016217
  C      -2.020818     -0.976341     -0.664268
  C      -3.355051     -0.563205     -0.695021
  C      -4.136027     -0.464601      0.461628
  O      -5.414415     -0.065471      0.353922
  C      -3.545361     -0.777587      1.722767
  C      -4.351883     -0.657283      2.945229
  O      -5.569928     -0.387420      2.872728
  C      -3.717396     -0.751897      4.335471
  C      -2.207651     -1.208765      1.746909
  C      -1.446430     -1.314917      0.589335
  O      -0.139419     -1.744626      0.640355
  C     -10.034112      9.083169      5.394024
  C      -9.779157      7.811241      4.628773
  O     -10.688580      7.371855      3.855508
  C      -8.537647      7.090826      4.780803
  C      -7.547490      7.477763      5.716535
  C      -6.390714      6.750761      5.899292
  O      -5.460997      7.092899      6.853941
  C      -6.145403      5.566518      5.130146
  C      -5.021580      4.715666      5.342140
  O      -4.952772      3.586554      4.678711
  C      -3.836622      4.977526      6.236742
  C      -7.125008      5.189407      4.172234
  C      -8.296281      5.912491      3.994994
  O      -9.214735      5.488798      3.102883
  C     -12.391310      6.009405      6.745800
  C     -11.107413      6.336042      7.478397
  O     -11.038566      7.397376      8.109801
  C      -9.945663      5.404070      7.455417
  C      -8.897783      5.700796      8.347805
  C      -7.747716      4.925734      8.428106
  O      -6.753441      5.292291      9.269309
  C      -7.616964      3.772615      7.589008
  C      -6.380003      3.016505      7.614239
  O      -5.463815      3.299574      8.441377
  C      -6.180745      1.850338      6.641320
  C      -8.668211      3.475063      6.697280
  C      -9.804513      4.267776      6.607599
  O     -10.703155      3.886185      5.642858
  H       0.768669     -0.782534     -1.475396
  H       0.442395     -1.380598     -3.144933
  H       0.281134     -2.453479     -1.706041
  H      -3.793037     -0.315081     -1.662553
  H      -5.775550     -0.113138      1.303826
  H      -4.567219     -0.707122      5.037659
  H      -3.198793     -1.718862      4.489819
  H      -1.749453     -1.484897      2.697703
  H       0.071710     -1.935009      1.572343
  H     -10.234401      8.854609      6.456146
  H      -9.175086      9.768189      5.354621
  H     -10.918774      9.575349      4.973911
  H      -7.722364      8.348438      6.353174
  H      -5.832808      7.819417      7.386377
  H      -3.315463      5.898097      5.899609
  H      -4.166712      5.179304      7.271894
  H      -6.969480      4.286613      3.583298
  H      -9.998716      6.141251      3.239794
  H     -12.282857      6.244168      5.668781
  H     -12.688254      4.956079      6.855327
  H     -13.186626      6.657338      7.132614
  H      -8.998795      6.580757      8.983403
  H      -6.048337      4.567164      9.134791
  H      -6.598255      2.120146      5.663206
  H      -6.783027      1.001018      7.022244
  H      -8.598588      2.628259      6.015866
  H     -11.284025      4.633527      5.418439
  N      -2.612806      2.865162      3.566625
  N      -2.085924      3.358124      2.508416
  H      -1.109027      3.668391      2.477729
  H      -2.613165      3.455981      1.635515
96
Coordinates from ORCA-job orca E -6715.873445460904
  N      -2.833136      0.343941      4.500523
  Mo     -3.508583      2.218466      5.144741
  N      -4.800957      1.438217      6.474811
  C      -4.264823      0.686717      7.609651
  C      -2.809939      0.307418      7.366933
  N      -2.087820      1.428416      6.677060
  C      -0.916670      0.909160      5.915943
  C      -1.414328      0.159295      4.646747
  C      -1.700872      2.486123      7.663661
  C      -1.745603      3.828442      6.960297
  N      -2.958509      3.819985      6.195746
  H      -0.848965      0.543740      3.774888
  H      -1.183349     -0.917674      4.734070
  H      -0.292986      1.772975      5.655165
  H      -0.327509      0.248897      6.575025
  H      -1.734484      4.644558      7.702202
  H      -0.853540      3.965221      6.312771
  H      -2.470475      2.480433      8.445560
  H      -0.725415      2.237004      8.111459
  H      -4.855044     -0.234305      7.783020
  H      -4.354693      1.302245      8.521346
  H      -2.727308     -0.572738      6.722612
  H      -2.293050      0.086957      8.315310
  C       0.128350     -1.418859     -2.077818
  C      -1.297679     -0.949478     -1.970491
  O      -1.899680     -0.578800     -2.973403
  C      -2.008739     -0.920703     -0.636148
  C      -3.321483     -0.445158     -0.654452
  C      -4.101187     -0.357059      0.502784
  O      -5.359700      0.106573      0.410895
  C      -3.530729     -0.746784      1.749036
  C      -4.342296     -0.640874      2.970273
  O      -5.548250     -0.314702      2.897225
  C      -3.714555     -0.784149      4.356643
  C      -2.215550     -1.241317      1.761132
  C      -1.456687     -1.336755      0.602858
  O      -0.171866     -1.828993      0.641692
  C     -10.022630      9.061936      5.376335
  C      -9.782833      7.784048      4.620426
  O     -10.706182      7.343835      3.864569
  C      -8.544114      7.060949      4.764338
  C      -7.551935      7.458314      5.692060
  C      -6.396354      6.735514      5.879083
  O      -5.468558      7.097174      6.826111
  C      -6.151554      5.541768      5.122668
  C      -5.026622      4.696138      5.337087
  O      -4.966077      3.563594      4.677058
  C      -3.838473      4.971734      6.220100
  C      -7.133259      5.154420      4.172610
  C      -8.304069      5.874950      3.988186
  O      -9.216752      5.446974      3.095515
  C     -12.370483      6.022395      6.728955
  C     -11.089372      6.341690      7.466400
  O     -11.022181      7.398340      8.101180
  C      -9.928302      5.408752      7.450031
  C      -8.883375      5.707406      8.342683
  C      -7.734290      4.930401      8.429752
  O      -6.745615      5.296359      9.274966
  C      -7.604459      3.775286      7.593757
  C      -6.370692      3.010936      7.622056
  O      -5.456041      3.288439      8.448338
  C      -6.176037      1.848655      6.651203
  C      -8.653883      3.477946      6.701020
  C      -9.788291      4.271020      6.607994
  O     -10.689880      3.882517      5.650511
  H       0.788221     -0.826697     -1.429252
  H       0.441699     -1.334140     -3.123414
  H       0.225291     -2.457182     -1.732063
  H      -3.741460     -0.137519     -1.611546
  H      -5.723591      0.040170      1.357913
  H      -4.559373     -0.741966      5.065225
  H      -3.200655     -1.754004      4.499317
  H      -1.776059     -1.575738      2.700297
  H       0.022690     -2.065841      1.566267
  H     -10.206317      8.849307      6.444021
  H      -9.162457      9.742368      5.318354
  H     -10.909808      9.554011      4.963649
  H      -7.724774      8.334866      6.318382
  H      -5.848564      7.823147      7.352548
  H      -3.331355      5.897805      5.877089
  H      -4.164827      5.177159      7.255912
  H      -6.976773      4.247367      3.592545
  H      -9.995106      6.112877      3.211609
  H     -12.259137      6.259539      5.654367
  H     -12.672496      4.970962      6.830860
  H     -13.163310      6.672580      7.114426
  H      -8.986638      6.589314      8.973302
  H      -6.038836      4.569692      9.149141
  H      -6.594157      2.122622      5.675044
  H      -6.782749      0.998938      7.027364
  H      -8.584314      2.630315      6.023185
  H     -11.267756      4.628988      5.419166
  N      -2.681634      2.799285      3.576515
  N      -2.232151      3.300658      2.486565
  H      -1.277698      3.659521      2.412986
  H      -2.798542      3.337070      1.636154
96
Coordinates from ORCA-job orca E -6715.877450588862
  N      -2.835501      0.325140      4.498130
  Mo     -3.502155      2.231324      5.119965
  N      -4.802149      1.438299      6.454387
  C      -4.255847      0.685085      7.577077
  C      -2.799482      0.315416      7.330535
  N      -2.076483      1.438544      6.647536
  C      -0.909170      0.915098      5.889191
  C      -1.417183      0.146477      4.636421
  C      -1.689901      2.492643      7.636945
  C      -1.739906      3.838865      6.941781
  N      -2.950469      3.830856      6.173212
  H      -0.856369      0.516160      3.753820
  H      -1.181411     -0.927932      4.739488
  H      -0.287123      1.776081      5.615256
  H      -0.314786      0.263470      6.552190
  H      -1.733400      4.648748      7.690568
  H      -0.845061      3.986520      6.300515
  H      -2.457900      2.480751      8.420218
  H      -0.713794      2.243558      8.083094
  H      -4.837187     -0.242246      7.752557
  H      -4.345223      1.295497      8.492064
  H      -2.716828     -0.559741      6.680727
  H      -2.281071      0.089963      8.276861
  C       0.155903     -1.451186     -2.028482
  C      -1.251673     -0.927661     -1.929112
  O      -1.822866     -0.505273     -2.930369
  C      -1.976078     -0.908851     -0.605554
  C      -3.270264     -0.382580     -0.622731
  C      -4.058410     -0.295400      0.527310
  O      -5.297529      0.220312      0.432905
  C      -3.518106     -0.738542      1.768920
  C      -4.336921     -0.635746      2.985925
  O      -5.531143     -0.261355      2.915604
  C      -3.713573     -0.806450      4.368487
  C      -2.222996     -1.284304      1.779525
  C      -1.455558     -1.379372      0.626991
  O      -0.192271     -1.921321      0.669250
  C     -10.003021      9.092349      5.403207
  C      -9.768192      7.814848      4.645656
  O     -10.689307      7.382428      3.885239
  C      -8.531845      7.085786      4.784893
  C      -7.527194      7.479590      5.700714
  C      -6.373554      6.749757      5.877221
  O      -5.433777      7.112694      6.809826
  C      -6.146732      5.552308      5.122171
  C      -5.024854      4.698719      5.326073
  O      -4.981020      3.565931      4.670384
  C      -3.828873      4.980167      6.194258
  C      -7.142185      5.170133      4.185436
  C      -8.309385      5.897500      4.011720
  O      -9.237536      5.473276      3.134259
  C     -12.395567      5.991193      6.738973
  C     -11.107700      6.318474      7.460673
  O     -11.033890      7.381563      8.082928
  C      -9.945654      5.386636      7.442729
  C      -8.895859      5.695441      8.324823
  C      -7.744622      4.922266      8.412519
  O      -6.756238      5.295676      9.252389
  C      -7.614962      3.763821      7.583864
  C      -6.375542      3.004033      7.611978
  O      -5.463711      3.291037      8.433221
  C      -6.175520      1.843126      6.639739
  C      -8.668270      3.456470      6.700734
  C      -9.808162      4.242623      6.610396
  O     -10.716518      3.840032      5.666772
  H       0.827327     -0.904611     -1.353006
  H       0.490226     -1.350677     -3.065891
  H       0.205126     -2.501297     -1.710460
  H      -3.667447     -0.032599     -1.574622
  H      -5.678149      0.140037      1.370971
  H      -4.552296     -0.768522      5.084413
  H      -3.197415     -1.775909      4.501066
  H      -1.806899     -1.657977      2.714525
  H      -0.017492     -2.189938      1.588805
  H     -10.186657      8.880275      6.469892
  H      -9.140329      9.768891      5.345517
  H     -10.887447      9.589206      4.991143
  H      -7.686624      8.360236      6.323715
  H      -5.805618      7.837805      7.342799
  H      -3.331969      5.909330      5.843950
  H      -4.149725      5.191152      7.231518
  H      -6.999440      4.259906      3.607411
  H     -10.012018      6.135852      3.262633
  H     -12.294160      6.215877      5.661432
  H     -12.698087      4.941888      6.855327
  H     -13.183141      6.647252      7.124627
  H      -8.998517      6.581819      8.948865
  H      -6.047431      4.574431      9.132423
  H      -6.598767      2.120079      5.666543
  H      -6.782141      0.990868      7.012449
  H      -8.599502      2.605091      6.027930
  H     -11.297609      4.581135      5.425957
  N      -2.737373      2.768719      3.554867
  N      -2.369160      3.286509      2.438895
  H      -1.443608      3.702241      2.331364
  H      -2.967147      3.257602      1.611628
96
Coordinates from ORCA-job orca E -6715.881160296027
  N      -2.834928      0.314243      4.503416
  Mo     -3.501279      2.239769      5.100292
  N      -4.806874      1.426392      6.425688
  C      -4.256511      0.670527      7.541390
  C      -2.794823      0.315881      7.302182
  N      -2.073069      1.446079      6.629778
  C      -0.902527      0.925033      5.878525
  C      -1.414325      0.139814      4.637140
  C      -1.695747      2.495284      7.626785
  C      -1.753162      3.847113      6.940817
  N      -2.958975      3.834702      6.160429
  H      -0.858111      0.498852      3.746446
  H      -1.171601     -0.931722      4.752581
  H      -0.284140      1.785285      5.592931
  H      -0.302165      0.282292      6.545405
  H      -1.760565      4.650073      7.697216
  H      -0.853792      4.011114      6.310152
  H      -2.465244      2.474502      8.408826
  H      -0.719032      2.251989      8.075328
  H      -4.826793     -0.264904      7.715871
  H      -4.352387      1.275513      8.459955
  H      -2.706834     -0.555630      6.649484
  H      -2.281428      0.087022      8.250765
  C       0.185007     -1.492826     -2.007457
  C      -1.204027     -0.918796     -1.905523
  O      -1.749177     -0.448059     -2.901536
  C      -1.935560     -0.909223     -0.589662
  C      -3.211936     -0.335423     -0.600467
  C      -4.005768     -0.247662      0.543791
  O      -5.224406      0.319230      0.452142
  C      -3.495765     -0.738892      1.779855
  C      -4.321478     -0.636574      2.991192
  O      -5.505184     -0.226008      2.921143
  C      -3.703487     -0.826042      4.372333
  C      -2.221111     -1.332079      1.785276
  C      -1.445209     -1.428900      0.636897
  O      -0.205238     -2.018418      0.683425
  C     -10.029391      9.097275      5.405062
  C      -9.794431      7.814696      4.654471
  O     -10.720311      7.369317      3.910916
  C      -8.550070      7.091207      4.791972
  C      -7.539447      7.489232      5.700787
  C      -6.382310      6.759213      5.877081
  O      -5.438022      7.130482      6.800520
  C      -6.162111      5.558181      5.127510
  C      -5.039644      4.697744      5.323598
  O      -5.004058      3.568448      4.671131
  C      -3.837886      4.983566      6.182568
  C      -7.163041      5.174338      4.198031
  C      -8.329715      5.901599      4.023815
  O      -9.255914      5.475593      3.144355
  C     -12.378393      6.019858      6.759625
  C     -11.087743      6.334049      7.484132
  O     -11.005252      7.391630      8.116666
  C      -9.933856      5.391965      7.456351
  C      -8.878889      5.690091      8.335899
  C      -7.732766      4.910236      8.419558
  O      -6.746681      5.278381      9.263753
  C      -7.609718      3.754472      7.585705
  C      -6.371850      2.985181      7.607351
  O      -5.456597      3.261719      8.425225
  C      -6.179817      1.829062      6.621940
  C      -8.666964      3.457642      6.704627
  C      -9.805181      4.249277      6.620019
  O     -10.720971      3.851312      5.682414
  H       0.869020     -0.988814     -1.311087
  H       0.534868     -1.378063     -3.038764
  H       0.189964     -2.552755     -1.718067
  H      -3.589332      0.053965     -1.545868
  H      -5.619003      0.228820      1.381401
  H      -4.539023     -0.801680      5.092057
  H      -3.176507     -1.791499      4.490178
  H      -1.827212     -1.741571      2.716248
  H      -0.048681     -2.315942      1.597521
  H     -10.198156      8.889285      6.474097
  H      -9.171912      9.779508      5.330350
  H     -10.922680      9.585216      5.000496
  H      -7.696137      8.374254      6.319415
  H      -5.806926      7.854555      7.337396
  H      -3.350689      5.917154      5.829604
  H      -4.157008      5.195586      7.220754
  H      -7.023543      4.261796      3.621546
  H     -10.023166      6.142380      3.253268
  H     -12.273200      6.252467      5.683837
  H     -12.688184      4.971581      6.869799
  H     -13.161204      6.679366      7.150508
  H      -8.973816      6.575168      8.964095
  H      -6.039799      4.560527      9.148633
  H      -6.607636      2.120009      5.654077
  H      -6.792211      0.977818      6.988086
  H      -8.604968      2.608412      6.026630
  H     -11.299824      4.594244      5.438646
  N      -2.772513      2.765906      3.514107
  N      -2.474824      3.302307      2.380188
  H      -1.582546      3.780416      2.254838
  H      -3.087534      3.207665      1.568806
96
Coordinates from ORCA-job orca E -6715.884095105835
  N      -2.848967      0.291306      4.515008
  Mo     -3.506970      2.234327      5.084442
  N      -4.811432      1.412917      6.409128
  C      -4.253916      0.662239      7.525873
  C      -2.788846      0.314970      7.292998
  N      -2.069947      1.444807      6.614436
  C      -0.901737      0.919204      5.862962
  C      -1.425210      0.115624      4.636108
  C      -1.693735      2.494563      7.610491
  C      -1.758391      3.846549      6.924445
  N      -2.963838      3.827774      6.138353
  H      -0.879022      0.462047      3.734214
  H      -1.178783     -0.953938      4.762273
  H      -0.288034      1.776314      5.557245
  H      -0.292159      0.287204      6.532433
  H      -1.775162      4.648621      7.681929
  H      -0.858723      4.019867      6.297663
  H      -2.460252      2.471905      8.396014
  H      -0.714056      2.258659      8.057054
  H      -4.814861     -0.277530      7.709612
  H      -4.352211      1.270848      8.442404
  H      -2.699889     -0.561429      6.648236
  H      -2.277346      0.092631      8.244602
  C       0.225610     -1.504924     -1.972099
  C      -1.141903     -0.878013     -1.867839
  O      -1.652703     -0.350364     -2.854999
  C      -1.889182     -0.886416     -0.563437
  C      -3.144763     -0.263407     -0.567877
  C      -3.949984     -0.184507      0.567681
  O      -5.145715      0.434064      0.482516
  C      -3.478527     -0.733989      1.794053
  C      -4.316853     -0.633971      2.996351
  O      -5.485436     -0.183311      2.920115
  C      -3.712674     -0.852278      4.378507
  C      -2.227365     -1.375396      1.794208
  C      -1.437711     -1.465710      0.652453
  O      -0.223654     -2.104962      0.698977
  C     -10.002898      9.140862      5.417440
  C      -9.794668      7.852941      4.665555
  O     -10.728859      7.428882      3.921849
  C      -8.554298      7.112690      4.799699
  C      -7.527901      7.514090      5.690203
  C      -6.370167      6.779276      5.861927
  O      -5.408038      7.161318      6.762325
  C      -6.168177      5.568269      5.125732
  C      -5.049458      4.696035      5.314916
  O      -5.028897      3.563560      4.674562
  C      -3.836790      4.983290      6.159181
  C      -7.183468      5.180093      4.213851
  C      -8.349283      5.910633      4.044607
  O      -9.286791      5.466658      3.184738
  C     -12.394217      5.993804      6.785564
  C     -11.093084      6.323389      7.486230
  O     -10.999565      7.394723      8.096345
  C      -9.941573      5.378145      7.457385
  C      -8.873238      5.690224      8.317314
  C      -7.726868      4.911804      8.399396
  O      -6.732604      5.294344      9.229469
  C      -7.611524      3.744715      7.580443
  C      -6.369184      2.979346      7.597667
  O      -5.445565      3.269490      8.400901
  C      -6.184685      1.812310      6.616606
  C      -8.680872      3.432368      6.719771
  C      -9.823938      4.219562      6.639311
  O     -10.754678      3.801464      5.725520
  H       0.918664     -1.052229     -1.248591
  H       0.596778     -1.369358     -2.993971
  H       0.181590     -2.574500     -1.721083
  H      -3.495515      0.173136     -1.503898
  H      -5.560540      0.317569      1.398749
  H      -4.547535     -0.841558      5.099049
  H      -3.176710     -1.814394      4.478799
  H      -1.861201     -1.827929      2.718074
  H      -0.090379     -2.439687      1.604125
  H     -10.169823      8.932752      6.486622
  H      -9.132788      9.807575      5.336879
  H     -10.890013      9.645195      5.017819
  H      -7.669391      8.411584      6.296462
  H      -5.763958      7.891778      7.299983
  H      -3.351836      5.913579      5.794702
  H      -4.147143      5.205740      7.198142
  H      -7.057799      4.257916      3.647930
  H     -10.059622      6.120651      3.300578
  H     -12.300781      6.203133      5.703066
  H     -12.702374      4.947875      6.925180
  H     -13.171873      6.662739      7.172556
  H      -8.958532      6.585786      8.933312
  H      -6.024952      4.581834      9.117496
  H      -6.623093      2.099579      5.651918
  H      -6.795491      0.965001      6.993278
  H      -8.627518      2.572130      6.053154
  H     -11.337688      4.538440      5.471075
  N      -2.822161      2.748352      3.460569
  N      -2.607443      3.295365      2.308967
  H      -1.752899      3.831707      2.155068
  H      -3.235403      3.133054      1.519643
96
Coordinates from ORCA-job orca E -6715.886781155836
  N      -2.868417      0.257941      4.522360
  Mo     -3.525091      2.212308      5.070041
  N      -4.826269      1.388508      6.398020
  C      -4.258518      0.644993      7.518018
  C      -2.790175      0.304008      7.289247
  N      -2.077143      1.434207      6.599982
  C      -0.911018      0.907906      5.843278
  C      -1.441958      0.087014      4.629110
  C      -1.703764      2.488570      7.592589
  C      -1.780343      3.838410      6.904133
  N      -2.985692      3.808898      6.114078
  H      -0.907663      0.427134      3.717871
  H      -1.189106     -0.980511      4.761248
  H      -0.307535      1.765527      5.518477
  H      -0.289065      0.288898      6.513910
  H      -1.808518      4.641542      7.660506
  H      -0.882158      4.021686      6.279075
  H      -2.466100      2.462099      8.382457
  H      -0.719816      2.262969      8.035523
  H      -4.811725     -0.297001      7.712680
  H      -4.357879      1.259941      8.430702
  H      -2.697121     -0.579069      6.654413
  H      -2.278561      0.092822      8.243582
  C       0.290658     -1.514750     -1.928354
  C      -1.040246     -0.812066     -1.820385
  O      -1.495052     -0.206262     -2.790415
  C      -1.817803     -0.839986     -0.534108
  C      -3.036332     -0.145455     -0.532825
  C      -3.862114     -0.075054      0.588194
  O      -5.016168      0.621164      0.511158
  C      -3.451958     -0.708475      1.797054
  C      -4.309576     -0.614342      2.988526
  O      -5.457141     -0.114854      2.906765
  C      -3.729622     -0.884011      4.371123
  C      -2.238910     -1.418590      1.790840
  C      -1.428861     -1.501284      0.661288
  O      -0.254601     -2.212054      0.700520
  C     -10.051925      9.112228      5.367345
  C      -9.836781      7.810785      4.638691
  O     -10.772220      7.356048      3.915578
  C      -8.588219      7.084407      4.777254
  C      -7.555512      7.500336      5.653614
  C      -6.394640      6.768606      5.826743
  O      -5.421850      7.164961      6.710700
  C      -6.198489      5.547046      5.107020
  C      -5.078992      4.674246      5.296870
  O      -5.065758      3.534306      4.670637
  C      -3.858276      4.968199      6.128924
  C      -7.220777      5.144960      4.207651
  C      -8.387106      5.874467      4.036634
  O      -9.331402      5.424490      3.184750
  C     -12.347861      6.066041      6.850007
  C     -11.037351      6.375236      7.543679
  O     -10.925170      7.442647      8.159264
  C      -9.900413      5.412393      7.502891
  C      -8.816418      5.710285      8.349853
  C      -7.680886      4.915290      8.418591
  O      -6.669789      5.283508      9.237679
  C      -7.590783      3.746525      7.598570
  C      -6.356563      2.968684      7.602442
  O      -5.419290      3.252789      8.394073
  C      -6.195507      1.795130      6.620711
  C      -8.675147      3.447072      6.751496
  C      -9.809131      4.249575      6.685003
  O     -10.759821      3.839469      5.787092
  H       0.992565     -1.140206     -1.168497
  H       0.693559     -1.352020     -2.934477
  H       0.176557     -2.591434     -1.732894
  H      -3.339468      0.356330     -1.453332
  H      -5.461200      0.477322      1.410747
  H      -4.568108     -0.889430      5.087520
  H      -3.189317     -1.845132      4.450065
  H      -1.918489     -1.933699      2.699871
  H      -0.160672     -2.597693      1.590442
  H     -10.201550      8.921574      6.443279
  H      -9.191869      9.789350      5.260656
  H     -10.951695      9.596264      4.969870
  H      -7.692846      8.407189      6.248044
  H      -5.773472      7.900591      7.244608
  H      -3.374995      5.893662      5.750891
  H      -4.160270      5.202640      7.167657
  H      -7.099038      4.215268      3.652165
  H     -10.093391      6.091004      3.286427
  H     -12.256714      6.277059      5.766798
  H     -12.669236      5.023576      6.990140
  H     -13.114395      6.744806      7.243169
  H      -8.879952      6.608376      8.965697
  H      -5.974157      4.561577      9.114460
  H      -6.644209      2.084689      5.661289
  H      -6.808152      0.954368      7.007404
  H      -8.641950      2.585225      6.084628
  H     -11.335480      4.583607      5.536840
  N      -2.894307      2.715740      3.418148
  N      -2.771574      3.271949      2.256029
  H      -1.962366      3.865200      2.067690
  H      -3.409428      3.043136      1.490913
96
Coordinates from ORCA-job orca E -6715.889852912454
  N      -2.897032      0.216655      4.538833
  Mo     -3.547828      2.181908      5.058605
  N      -4.836512      1.366870      6.401017
  C      -4.254005      0.638085      7.525575
  C      -2.784720      0.299768      7.293844
  N      -2.080414      1.423646      6.582873
  C      -0.923454      0.889913      5.816833
  C      -1.469155      0.047745      4.623588
  C      -1.700036      2.488938      7.560468
  C      -1.789790      3.831020      6.859414
  N      -3.000580      3.787401      6.074978
  H      -0.951814      0.377591      3.699186
  H      -1.212077     -1.017484      4.764162
  H      -0.332132      1.745052      5.464657
  H      -0.286513      0.286602      6.487301
  H      -1.822054      4.641631      7.607391
  H      -0.897981      4.016211      6.227147
  H      -2.451951      2.466940      8.360204
  H      -0.709374      2.274470      7.993487
  H      -4.800735     -0.303240      7.738050
  H      -4.349573      1.265142      8.430304
  H      -2.691555     -0.593880      6.673516
  H      -2.267945      0.105564      8.248690
  C       0.339850     -1.513605     -1.876499
  C      -0.933663     -0.714777     -1.746408
  O      -1.312665     -0.008272     -2.679882
  C      -1.745998     -0.768347     -0.482729
  C      -2.906921      0.018585     -0.459779
  C      -3.755091      0.076613      0.644120
  O      -4.845980      0.873026      0.595269
  C      -3.428732     -0.667107      1.814990
  C      -4.309688     -0.581086      2.992767
  O      -5.423936     -0.011453      2.908921
  C      -3.763005     -0.917667      4.372888
  C      -2.272669     -1.464702      1.787461
  C      -1.441489     -1.535826      0.671935
  O      -0.326890     -2.338049      0.686076
  C     -10.048647      9.111648      5.340520
  C      -9.850231      7.798853      4.627316
  O     -10.798565      7.333599      3.928494
  C      -8.602141      7.071159      4.758354
  C      -7.553680      7.498516      5.608963
  C      -6.394642      6.764044      5.777158
  O      -5.403390      7.171468      6.635881
  C      -6.216286      5.528104      5.079000
  C      -5.100236      4.651877      5.269289
  O      -5.103085      3.498992      4.667371
  C      -3.866574      4.953408      6.079348
  C      -7.253789      5.113711      4.202470
  C      -8.418455      5.846911      4.036575
  O      -9.379089      5.385833      3.207993
  C     -12.330489      6.070623      6.885273
  C     -11.011421      6.384541      7.560436
  O     -10.888247      7.461422      8.156561
  C      -9.879781      5.415778      7.523968
  C      -8.783202      5.724032      8.351505
  C      -7.649878      4.925912      8.418718
  O      -6.625695      5.305413      9.217905
  C      -7.573682      3.743427      7.616048
  C      -6.342425      2.963307      7.611033
  O      -5.390884      3.251265      8.385515
  C      -6.200936      1.777992      6.639633
  C      -8.671049      3.433688      6.789149
  C      -9.803154      4.238217      6.725565
  O     -10.768024      3.814935      5.848690
  H       1.049135     -1.250603     -1.077975
  H       0.780481     -1.314688     -2.859879
  H       0.135241     -2.588323     -1.761050
  H      -3.143871      0.604898     -1.349039
  H      -5.330315      0.692412      1.469336
  H      -4.606158     -0.931911      5.083557
  H      -3.227376     -1.881638      4.430193
  H      -2.015173     -2.061691      2.665796
  H      -0.286813     -2.790150      1.548288
  H     -10.176251      8.936280      6.422185
  H      -9.190212      9.785430      5.205603
  H     -10.955826      9.590744      4.954372
  H      -7.675770      8.417451      6.187631
  H      -5.742697      7.917175      7.163523
  H      -3.380819      5.866367      5.676526
  H      -4.151326      5.209536      7.117245
  H      -7.145894      4.173268      3.663011
  H     -10.133787      6.062001      3.306293
  H     -12.247698      6.259715      5.797471
  H     -12.656234      5.033323      7.050256
  H     -13.089542      6.761229      7.271788
  H      -8.833997      6.633348      8.951377
  H      -5.932642      4.579255      9.093759
  H      -6.663414      2.059458      5.684624
  H      -6.809015      0.943646      7.045452
  H      -8.649549      2.561900      6.135395
  H     -11.340799      4.558309      5.590982
  N      -2.989931      2.661153      3.374282
  N      -2.983425      3.216025      2.206678
  H      -2.225543      3.854763      1.963371
  H      -3.642059      2.922162      1.481661
96
Coordinates from ORCA-job orca E -6715.891987509309
  N      -2.918693      0.187156      4.550084
  Mo     -3.565646      2.160247      5.047458
  N      -4.845826      1.352294      6.399034
  C      -4.252076      0.634619      7.527229
  C      -2.781510      0.298196      7.294677
  N      -2.083907      1.417222      6.567529
  C      -0.933965      0.878855      5.793812
  C      -1.490099      0.020464      4.616912
  C      -1.699130      2.490168      7.534289
  C      -1.799336      3.826345      6.824448
  N      -3.013436      3.771404      6.043141
  H      -0.986852      0.343333      3.682703
  H      -1.229080     -1.042818      4.762994
  H      -0.353984      1.732432      5.420238
  H      -0.284539      0.288556      6.463350
  H      -1.836724      4.642195      7.566158
  H      -0.912341      4.014262      6.187528
  H      -2.443049      2.470689      8.341250
  H      -0.703461      2.284660      7.959521
  H      -4.793800     -0.305840      7.752889
  H      -4.345688      1.270989      8.425510
  H      -2.686990     -0.603753      6.686209
  H      -2.261901      0.117701      8.250274
  C       0.375423     -1.527003     -1.837843
  C      -0.843176     -0.650874     -1.683201
  O      -1.153466      0.131668     -2.580121
  C      -1.684242     -0.718842     -0.439217
  C      -2.790924      0.141554     -0.392818
  C      -3.656746      0.194620      0.696679
  O      -4.688606      1.069168      0.677698
  C      -3.405095     -0.631770      1.829864
  C      -4.304560     -0.547568      2.996365
  O      -5.387091      0.080067      2.913404
  C      -3.788185     -0.940645      4.372064
  C      -2.302326     -1.499171      1.779362
  C      -1.454957     -1.565596      0.675457
  O      -0.396101     -2.440381      0.662216
  C     -10.040304      9.115022      5.325413
  C      -9.856145      7.796558      4.618861
  O     -10.815876      7.325197      3.940315
  C      -8.609087      7.066963      4.740770
  C      -7.548267      7.501025      5.570973
  C      -6.391811      6.763280      5.734322
  O      -5.385761      7.176726      6.573286
  C      -6.228336      5.516922      5.052666
  C      -5.116424      4.637071      5.244277
  O      -5.132320      3.473883      4.662529
  C      -3.873407      4.943163      6.038095
  C      -7.277329      5.095049      4.193215
  C      -8.439722      5.832708      4.031828
  O      -9.412994      5.365191      3.220755
  C     -12.322626      6.062778      6.917295
  C     -10.996976      6.383115      7.576149
  O     -10.866467      7.468392      8.154272
  C      -9.867860      5.411926      7.543593
  C      -8.761568      5.730464      8.354709
  C      -7.628246      4.932224      8.419893
  O      -6.593845      5.322961      9.201903
  C      -7.560930      3.739443      7.630602
  C      -6.331155      2.959732      7.615598
  O      -5.368264      3.247994      8.377224
  C      -6.205668      1.767532      6.650442
  C      -8.668629      3.419624      6.821063
  C      -9.800870      4.223083      6.761205
  O     -10.776518      3.787589      5.902094
  H       1.084412     -1.359237     -1.014239
  H       0.848376     -1.303735     -2.800460
  H       0.095556     -2.589486     -1.788484
  H      -2.968632      0.790653     -1.251365
  H      -5.206143      0.865317      1.528966
  H      -4.635680     -0.962421      5.077273
  H      -3.256330     -1.906321      4.411765
  H      -2.101142     -2.157989      2.627252
  H      -0.403761     -2.941632      1.497591
  H     -10.148410      8.947211      6.410650
  H      -9.183977      9.786384      5.169613
  H     -10.953758      9.591807      4.952035
  H      -7.657616      8.428274      6.138169
  H      -5.714872      7.929678      7.096701
  H      -3.384245      5.844813      5.616049
  H      -4.144924      5.216748      7.074446
  H      -7.180903      4.147116      3.665725
  H     -10.161012      6.050569      3.315841
  H     -12.247519      6.232126      5.825946
  H     -12.650018      5.030082      7.104421
  H     -13.076460      6.762274      7.297178
  H      -8.803698      6.648382      8.941235
  H      -5.900837      4.594938      9.075295
  H      -6.678630      2.044699      5.699682
  H      -6.809991      0.937918      7.069843
  H      -8.654928      2.540648      6.177683
  H     -11.348318      4.529216      5.639089
  N      -3.070517      2.622607      3.339982
  N      -3.165611      3.178540      2.178636
  H      -2.467550      3.868665      1.901247
  H      -3.826430      2.825333      1.482434
96
Coordinates from ORCA-job orca E -6715.892977447962
  N      -2.920779      0.174225      4.566412
  Mo     -3.571279      2.143689      5.062705
  N      -4.842493      1.341300      6.422686
  C      -4.243295      0.629690      7.552347
  C      -2.773608      0.294101      7.314199
  N      -2.081230      1.410922      6.578748
  C      -0.933980      0.872327      5.800761
  C      -1.491944      0.009860      4.628230
  C      -1.693803      2.490414      7.537318
  C      -1.799769      3.822671      6.820759
  N      -3.016852      3.762192      6.044779
  H      -0.992820      0.332391      3.691874
  H      -1.229753     -1.053003      4.775058
  H      -0.358724      1.726884      5.422345
  H      -0.279971      0.285970      6.469137
  H      -1.835709      4.642682      7.557842
  H      -0.915898      4.008302      6.178739
  H      -2.433362      2.473401      8.348244
  H      -0.695517      2.288464      7.958045
  H      -4.784008     -0.310159      7.782403
  H      -4.334514      1.269544      8.448097
  H      -2.678725     -0.610407      6.709292
  H      -2.249336      0.119734      8.268302
  C       0.358056     -1.481050     -1.849032
  C      -0.855837     -0.601849     -1.679173
  O      -1.164716      0.194555     -2.563972
  C      -1.695782     -0.683003     -0.434294
  C      -2.798189      0.181561     -0.375338
  C      -3.662476      0.222322      0.715711
  O      -4.694459      1.098349      0.710245
  C      -3.411811     -0.619396      1.836918
  C      -4.307887     -0.541021      3.006789
  O      -5.385200      0.097144      2.931472
  C      -3.792458     -0.950556      4.377890
  C      -2.313706     -1.491215      1.774121
  C      -1.468571     -1.546043      0.667982
  O      -0.412987     -2.424676      0.640377
  C     -10.033686      9.108802      5.298609
  C      -9.857788      7.782264      4.605816
  O     -10.820550      7.311385      3.930164
  C      -8.614261      7.048759      4.731043
  C      -7.548952      7.490567      5.551314
  C      -6.393532      6.753002      5.717060
  O      -5.381751      7.174927      6.545205
  C      -6.234583      5.498459      5.048888
  C      -5.122111      4.621719      5.245540
  O      -5.139546      3.452252      4.674318
  C      -3.876221      4.934241      6.032010
  C      -7.288138      5.067847      4.199247
  C      -8.450574      5.805210      4.035657
  O      -9.428935      5.329427      3.235994
  C     -12.298379      6.083031      6.881976
  C     -10.978383      6.395031      7.555591
  O     -10.848903      7.478643      8.136659
  C      -9.853481      5.418717      7.534133
  C      -8.752223      5.732988      8.353698
  C      -7.623358      4.928982      8.428132
  O      -6.592727      5.311916      9.218847
  C      -7.555852      3.735748      7.640203
  C      -6.329042      2.953277      7.633818
  O      -5.367015      3.247015      8.394945
  C      -6.202106      1.756587      6.675698
  C      -8.659048      3.419690      6.822833
  C      -9.786428      4.228717      6.753784
  O     -10.758258      3.796664      5.888317
  H       1.070166     -1.328296     -1.025408
  H       0.828951     -1.246211     -2.809826
  H       0.074077     -2.542871     -1.813445
  H      -2.974297      0.842181     -1.225255
  H      -5.218687      0.871908      1.553059
  H      -4.639653     -0.976340      5.083117
  H      -3.262629     -1.917471      4.409515
  H      -2.113383     -2.161125      2.613404
  H      -0.422658     -2.937644      1.468588
  H     -10.140562      8.953994      6.385959
  H      -9.174090      9.773769      5.134431
  H     -10.945156      9.586450      4.921735
  H      -7.653504      8.424670      6.107813
  H      -5.707185      7.935175      7.060271
  H      -3.386060      5.830348      5.599499
  H      -4.142392      5.217388      7.067003
  H      -7.195232      4.114011      3.682184
  H     -10.177347      6.016595      3.330863
  H     -12.210798      6.252394      5.791647
  H     -12.633852      5.052152      7.064388
  H     -13.052367      6.786469      7.253874
  H      -8.794769      6.651452      8.939120
  H      -5.905065      4.576608      9.098464
  H      -6.677601      2.026444      5.724245
  H      -6.802558      0.927192      7.101316
  H      -8.644243      2.540279      6.180470
  H     -11.324243      4.541263      5.621406
  N      -3.084959      2.602358      3.349382
  N      -3.188336      3.149841      2.185811
  H      -2.513220      3.865007      1.914513
  H      -3.782185      2.729225      1.465028
96
Coordinates from ORCA-job orca E -6715.894136059726
  N      -2.919945      0.206552      4.554656
  Mo     -3.586486      2.160975      5.074128
  N      -4.846162      1.347980      6.432140
  C      -4.240137      0.629326      7.553105
  C      -2.769819      0.300316      7.304453
  N      -2.085720      1.425173      6.576721
  C      -0.937529      0.901933      5.791286
  C      -1.491033      0.046224      4.613952
  C      -1.700392      2.499749      7.540552
  C      -1.817095      3.837497      6.834559
  N      -3.036007      3.776667      6.061515
  H      -0.994205      0.378236      3.679750
  H      -1.225628     -1.016829      4.752561
  H      -0.370603      1.764540      5.418891
  H      -0.277044      0.314537      6.452227
  H      -1.855770      4.651453      7.577932
  H      -0.936215      4.033173      6.191173
  H      -2.435355      2.472550      8.355280
  H      -0.698836      2.299642      7.954202
  H      -4.778075     -0.314625      7.773635
  H      -4.330272      1.259456      8.455137
  H      -2.672330     -0.598421      6.691584
  H      -2.241327      0.121103      8.255295
  C       0.398720     -1.629080     -1.863820
  C      -0.785730     -0.708425     -1.711340
  O      -1.061481      0.090387     -2.604849
  C      -1.637585     -0.752380     -0.473109
  C      -2.711795      0.147877     -0.430012
  C      -3.582385      0.223389      0.652804
  O      -4.589088      1.132093      0.634130
  C      -3.367584     -0.614603      1.782083
  C      -4.269421     -0.493064      2.943116
  O      -5.331977      0.169568      2.848408
  C      -3.787233     -0.915726      4.321499
  C      -2.298952     -1.522523      1.736260
  C      -1.447209     -1.613181      0.637574
  O      -0.420239     -2.524201      0.626609
  C     -10.050937      9.122924      5.317833
  C      -9.874099      7.799044      4.621280
  O     -10.833608      7.337087      3.934598
  C      -8.633173      7.062175      4.749391
  C      -7.566256      7.505890      5.567360
  C      -6.410632      6.768879      5.732355
  O      -5.392930      7.199763      6.548186
  C      -6.255183      5.509560      5.071529
  C      -5.141880      4.634226      5.268172
  O      -5.160821      3.464001      4.699890
  C      -3.893889      4.948569      6.049428
  C      -7.309710      5.077931      4.224127
  C      -8.470197      5.817132      4.056544
  O      -9.445474      5.344152      3.252658
  C     -12.307990      6.089828      6.909245
  C     -10.988017      6.394244      7.586166
  O     -10.856890      7.473259      8.175368
  C      -9.864992      5.416230      7.560523
  C      -8.763596      5.726136      8.381043
  C      -7.636217      4.920058      8.453037
  O      -6.608956      5.290098      9.252928
  C      -7.567832      3.733442      7.657570
  C      -6.339320      2.954753      7.649957
  O      -5.378656      3.258082      8.407591
  C      -6.206315      1.758862      6.692111
  C      -8.671975      3.419772      6.840817
  C      -9.800505      4.227684      6.778301
  O     -10.778382      3.792657      5.921399
  H       1.109697     -1.492154     -1.036819
  H       0.883615     -1.419270     -2.823312
  H       0.079513     -2.680286     -1.820097
  H      -2.859839      0.806688     -1.286485
  H      -5.141011      0.909229      1.461924
  H      -4.649849     -0.951271      5.006842
  H      -3.257015     -1.882103      4.353191
  H      -2.126119     -2.189127      2.584274
  H      -0.454569     -3.030975      1.457911
  H     -10.164619      8.964314      6.403505
  H      -9.188941      9.786162      5.161470
  H     -10.958894      9.604387      4.937756
  H      -7.668170      8.443159      6.118369
  H      -5.713967      7.966511      7.056211
  H      -3.402898      5.842605      5.613284
  H      -4.155165      5.233198      7.085328
  H      -7.217006      4.123748      3.708070
  H     -10.191598      6.034700      3.341990
  H     -12.219174      6.264322      5.820154
  H     -12.647443      5.059462      7.085909
  H     -13.059740      6.794028      7.283812
  H      -8.806467      6.640907      8.971996
  H      -5.924628      4.553135      9.130367
  H      -6.686139      2.025429      5.742055
  H      -6.800263      0.925235      7.119627
  H      -8.658579      2.541856      6.196842
  H     -11.351412      4.534353      5.661688
  N      -3.114329      2.657679      3.361446
  N      -3.243973      3.228257      2.212780
  H      -2.613657      3.991675      1.963378
  H      -3.804045      2.783766      1.473732
96
Coordinates from ORCA-job orca E -6715.895006491867
  N      -2.938913      0.190171      4.573858
  Mo     -3.608595      2.135443      5.096099
  N      -4.853682      1.329786      6.463290
  C      -4.244171      0.617139      7.584906
  C      -2.777432      0.285039      7.324381
  N      -2.097429      1.405611      6.589077
  C      -0.953303      0.881912      5.799290
  C      -1.510500      0.023902      4.627767
  C      -1.704012      2.485499      7.543026
  C      -1.825437      3.820380      6.831330
  N      -3.048879      3.757761      6.066713
  H      -1.015201      0.350640      3.690855
  H      -1.250009     -1.039889      4.770859
  H      -0.390136      1.745048      5.422798
  H      -0.288413      0.296235      6.457420
  H      -1.858382      4.637984      7.570843
  H      -0.948222      4.011326      6.180969
  H      -2.431180      2.463282      8.364820
  H      -0.698813      2.285944      7.947977
  H      -4.784141     -0.324997      7.808946
  H      -4.327596      1.249864      8.485404
  H      -2.685096     -0.615098      6.712668
  H      -2.242043      0.108677      8.272008
  C       0.419287     -1.581714     -1.866303
  C      -0.770848     -0.669105     -1.715868
  O      -1.049445      0.130466     -2.607647
  C      -1.626293     -0.722780     -0.480368
  C      -2.707166      0.169403     -0.438586
  C      -3.580047      0.234380      0.642002
  O      -4.595939      1.136240      0.626039
  C      -3.364670     -0.606661      1.767506
  C      -4.275309     -0.496930      2.921161
  O      -5.340221      0.163816      2.821283
  C      -3.807686     -0.924728      4.300957
  C      -2.288620     -1.505559      1.724698
  C      -1.432011     -1.584659      0.628901
  O      -0.397433     -2.485673      0.619705
  C     -10.033921      9.132814      5.282379
  C      -9.863940      7.801917      4.598421
  O     -10.828192      7.339302      3.918035
  C      -8.627958      7.058964      4.731059
  C      -7.551015      7.510555      5.532617
  C      -6.397863      6.770183      5.698306
  O      -5.365722      7.215152      6.487867
  C      -6.257603      5.496052      5.061851
  C      -5.148113      4.618482      5.266701
  O      -5.178577      3.438235      4.720820
  C      -3.894394      4.936880      6.035845
  C      -7.321669      5.057422      4.230580
  C      -8.477295      5.802517      4.056857
  O      -9.459404      5.326884      3.264133
  C     -12.309148      6.090264      6.929166
  C     -10.981194      6.402823      7.586368
  O     -10.841186      7.491816      8.154907
  C      -9.860522      5.422051      7.567581
  C      -8.749494      5.747018      8.368431
  C      -7.621800      4.941551      8.443790
  O      -6.586756      5.324969      9.225269
  C      -7.562263      3.740949      7.669144
  C      -6.336565      2.957556      7.667014
  O      -5.376123      3.261929      8.423544
  C      -6.211257      1.748152      6.727252
  C      -8.676356      3.412464      6.871942
  C      -9.806914      4.217401      6.810295
  O     -10.799723      3.759815      5.983002
  H       1.127857     -1.440545     -1.038143
  H       0.904386     -1.368063     -2.824787
  H       0.107366     -2.634981     -1.823461
  H      -2.856934      0.829816     -1.293386
  H      -5.153846      0.893433      1.446614
  H      -4.677985     -0.968601      4.975893
  H      -3.277199     -1.890978      4.328335
  H      -2.113262     -2.171416      2.572741
  H      -0.432273     -2.996519      1.448439
  H     -10.141932      8.986233      6.369805
  H      -9.171394      9.792305      5.114844
  H     -10.942699      9.612780      4.902649
  H      -7.641771      8.458717      6.066208
  H      -5.673110      7.999252      6.977417
  H      -3.394661      5.816510      5.580238
  H      -4.147106      5.243156      7.067950
  H      -7.238453      4.094744      3.729090
  H     -10.198458      6.026448      3.344747
  H     -12.230745      6.237870      5.835475
  H     -12.653837      5.066919      7.133830
  H     -13.052645      6.808073      7.294046
  H      -8.785328      6.673329      8.941484
  H      -5.898077      4.593173      9.097898
  H      -6.696118      2.001052      5.776109
  H      -6.803103      0.920817      7.170586
  H      -8.672316      2.520338      6.247875
  H     -11.384313      4.491958      5.721762
  N      -3.128631      2.643492      3.380255
  N      -3.254719      3.214153      2.233156
  H      -2.668349      4.019255      2.004153
  H      -3.780450      2.748402      1.476907
96
Coordinates from ORCA-job orca E -6715.895544493074
  N      -2.950675      0.181640      4.584896
  Mo     -3.628120      2.118835      5.112567
  N      -4.858729      1.310546      6.486517
  C      -4.240958      0.601430      7.605507
  C      -2.775853      0.272748      7.332982
  N      -2.103858      1.394885      6.593582
  C      -0.962400      0.877484      5.796009
  C      -1.521961      0.016454      4.629576
  C      -1.706975      2.477307      7.543314
  C      -1.838973      3.811673      6.832373
  N      -3.066612      3.744747      6.075458
  H      -1.031302      0.341345      3.689265
  H      -1.260680     -1.047134      4.774740
  H      -0.407537      1.744353      5.415771
  H      -0.289163      0.295585      6.449266
  H      -1.870775      4.629217      7.572184
  H      -0.966047      4.005825      6.176642
  H      -2.426377      2.452833      8.371931
  H      -0.697330      2.281169      7.939029
  H      -4.778118     -0.341945      7.831645
  H      -4.319729      1.233789      8.506648
  H      -2.685229     -0.626717      6.719746
  H      -2.233175      0.097921      8.276966
  C       0.438515     -1.563698     -1.872262
  C      -0.755216     -0.655827     -1.723908
  O      -1.036307      0.141897     -2.616523
  C      -1.612330     -0.711129     -0.488917
  C      -2.697593      0.175992     -0.451713
  C      -3.571614      0.239335      0.627547
  O      -4.592174      1.137831      0.609249
  C      -3.356051     -0.599429      1.754530
  C      -4.273312     -0.496541      2.902975
  O      -5.341821      0.159531      2.798762
  C      -3.816430     -0.929650      4.282938
  C      -2.274933     -1.492501      1.717241
  C      -1.415272     -1.568884      0.623398
  O      -0.375981     -2.463947      0.619358
  C     -10.036154      9.134098      5.261215
  C      -9.877946      7.790566      4.599705
  O     -10.848339      7.324881      3.929245
  C      -8.645790      7.042840      4.736078
  C      -7.557518      7.505931      5.516390
  C      -6.404347      6.765462      5.680491
  O      -5.359105      7.224741      6.444417
  C      -6.275419      5.478869      5.066090
  C      -5.165515      4.602938      5.273724
  O      -5.202983      3.414842      4.744772
  C      -3.905903      4.927451      6.030438
  C      -7.351404      5.028241      4.256894
  C      -8.507319      5.773168      4.084135
  O      -9.502151      5.284920      3.315865
  C     -12.271172      6.130682      6.895030
  C     -10.948593      6.429184      7.569364
  O     -10.804818      7.517148      8.139061
  C      -9.836759      5.437890      7.563852
  C      -8.727734      5.757804      8.369345
  C      -7.606880      4.943587      8.455753
  O      -6.575168      5.321678      9.243302
  C      -7.551878      3.739280      7.685720
  C      -6.332770      2.945086      7.691898
  O      -5.370884      3.245306      8.448197
  C      -6.214550      1.730810      6.758969
  C      -8.664492      3.416100      6.884045
  C      -9.788865      4.228847      6.813512
  O     -10.782218      3.772911      5.985893
  H       1.147053     -1.417418     -1.044844
  H       0.922228     -1.350309     -2.831676
  H       0.131528     -2.618358     -1.826330
  H      -2.848408      0.833783     -1.308514
  H      -5.150697      0.889384      1.429965
  H      -4.691851     -0.983859      4.950564
  H      -3.281679     -1.893723      4.306009
  H      -2.098093     -2.154893      2.567964
  H      -0.411493     -2.973941      1.448725
  H     -10.133576      9.008580      6.352184
  H      -9.172699      9.787096      5.073321
  H     -10.946777      9.611004      4.881820
  H      -7.638410      8.464943      6.032105
  H      -5.656160      8.022274      6.918564
  H      -3.402747      5.796559      5.558230
  H      -4.150457      5.251210      7.059382
  H      -7.277130      4.055919      3.772566
  H     -10.241063      5.985275      3.398758
  H     -12.175626      6.269482      5.801402
  H     -12.633864      5.113769      7.101777
  H     -13.009538      6.861406      7.244632
  H      -8.759660      6.687505      8.937346
  H      -5.889563      4.585556      9.121459
  H      -6.706573      1.977456      5.809810
  H      -6.802513      0.905548      7.211805
  H      -8.664137      2.520725      6.264307
  H     -11.363541      4.506734      5.721254
  N      -3.153367      2.644090      3.398414
  N      -3.295593      3.224871      2.259375
  H      -2.762150      4.071730      2.048879
  H      -3.818732      2.758773      1.498749
96
Coordinates from ORCA-job orca E -6715.896154911341
  N      -2.969503      0.156173      4.612384
  Mo     -3.651864      2.087169      5.137179
  N      -4.866974      1.280901      6.520473
  C      -4.240231      0.579926      7.639306
  C      -2.777746      0.251962      7.354010
  N      -2.113531      1.372290      6.606031
  C      -0.976590      0.857949      5.800593
  C      -1.541097     -0.011735      4.645182
  C      -1.710413      2.459248      7.547833
  C      -1.853644      3.791164      6.834972
  N      -3.085979      3.718135      6.087555
  H      -1.055040      0.303422      3.698703
  H      -1.281861     -1.074916      4.799560
  H      -0.431476      1.726859      5.411268
  H      -0.293239      0.283103      6.449756
  H      -1.883855      4.610131      7.573480
  H      -0.985576      3.987319      6.172811
  H      -2.419535      2.435199      8.385287
  H      -0.695558      2.267140      7.931991
  H      -4.774841     -0.363259      7.872230
  H      -4.312598      1.215599      8.538560
  H      -2.691407     -0.648818      6.741917
  H      -2.226806      0.080975      8.294130
  C       0.449764     -1.493942     -1.876159
  C      -0.749586     -0.594813     -1.723342
  O      -1.034918      0.207552     -2.610231
  C      -1.608389     -0.664584     -0.489773
  C      -2.701532      0.212762     -0.450152
  C      -3.576875      0.262039      0.628151
  O      -4.606201      1.152450      0.613804
  C      -3.357699     -0.582829      1.750200
  C      -4.280713     -0.500158      2.894539
  O      -5.352842      0.152305      2.793280
  C      -3.832644     -0.946776      4.270713
  C      -2.267899     -1.465502      1.710808
  C      -1.405196     -1.526626      0.618187
  O      -0.357457     -2.410989      0.611739
  C     -10.016863      9.140783      5.202786
  C      -9.868251      7.788826      4.556999
  O     -10.845294      7.321330      3.896465
  C      -8.642602      7.033240      4.702499
  C      -7.546639      7.503216      5.468872
  C      -6.397889      6.757896      5.640084
  O      -5.342606      7.227344      6.383955
  C      -6.282725      5.457045      5.052850
  C      -5.178134      4.578223      5.272709
  O      -5.229298      3.377640      4.773256
  C      -3.911076      4.908800      6.014233
  C      -7.366218      4.999261      4.257982
  C      -8.515824      5.750827      4.073002
  O      -9.515707      5.257838      3.315107
  C     -12.247906      6.146003      6.897432
  C     -10.918271      6.447882      7.556021
  O     -10.761672      7.547274      8.099950
  C      -9.814529      5.447443      7.565885
  C      -8.695153      5.779480      8.351786
  C      -7.579989      4.958635      8.450073
  O      -6.543243      5.343836      9.226655
  C      -7.538582      3.737762      7.705256
  C      -6.323917      2.936302      7.715603
  O      -5.347857      3.252249      8.446495
  C      -6.219657      1.706479      6.803191
  C      -8.661892      3.402494      6.923644
  C      -9.783492      4.218513      6.847906
  O     -10.791334      3.744138      6.048816
  H       1.157786     -1.346626     -1.048457
  H       0.931652     -1.272975     -2.834819
  H       0.150198     -2.550902     -1.834546
  H      -2.856068      0.873835     -1.303717
  H      -5.164862      0.888327      1.432108
  H      -4.712376     -1.014971      4.931443
  H      -3.293643     -1.908838      4.283308
  H      -2.086903     -2.130594      2.558451
  H      -0.391299     -2.927788      1.436983
  H     -10.104027      9.029897      6.296074
  H      -9.153433      9.789088      4.998726
  H     -10.929588      9.615605      4.825857
  H      -7.617610      8.473064      5.965422
  H      -5.627943      8.041453      6.836585
  H      -3.398406      5.757856      5.516147
  H      -4.145768      5.263921      7.035341
  H      -7.301157      4.017418      3.791825
  H     -10.246857      5.969066      3.381844
  H     -12.155935      6.245003      5.799135
  H     -12.625594      5.142795      7.141698
  H     -12.973625      6.899393      7.224700
  H      -8.715988      6.722737      8.897511
  H      -5.865713      4.597427      9.122579
  H      -6.724559      1.936335      5.856682
  H      -6.800983      0.888964      7.278337
  H      -8.673728      2.492070      6.326277
  H     -11.377798      4.471517      5.777580
  N      -3.179472      2.628743      3.426123
  N      -3.341847      3.220314      2.297177
  H      -2.863070      4.104055      2.105811
  H      -3.856268      2.749621      1.532022
96
Coordinates from ORCA-job orca E -6715.896733287300
  N      -2.986721      0.133066      4.644209
  Mo     -3.670958      2.060402      5.163337
  N      -4.874000      1.253874      6.553567
  C      -4.238645      0.562246      7.673645
  C      -2.778037      0.234934      7.378293
  N      -2.120314      1.352985      6.621044
  C      -0.988558      0.840441      5.807494
  C      -1.559160     -0.040953      4.666065
  C      -1.710117      2.443537      7.556016
  C      -1.864928      3.773594      6.843306
  N      -3.101536      3.694069      6.105563
  H      -1.075135      0.257961      3.712541
  H      -1.304775     -1.103716      4.835074
  H      -0.453988      1.710638      5.406662
  H      -0.294105      0.274601      6.452980
  H      -1.894959      4.592586      7.582271
  H      -1.001372      3.974312      6.175774
  H      -2.407981      2.418974      8.402859
  H      -0.689876      2.255286      7.927613
  H      -4.769523     -0.380996      7.914623
  H      -4.305890      1.202181      8.570303
  H      -2.696360     -0.667600      6.768148
  H      -2.219876      0.067960      8.315152
  C       0.456558     -1.445088     -1.884812
  C      -0.744863     -0.549506     -1.728410
  O      -1.032155      0.256103     -2.611583
  C      -1.604964     -0.627128     -0.495497
  C      -2.703663      0.243555     -0.456281
  C      -3.580652      0.284705      0.620757
  O      -4.616953      1.167615      0.605581
  C      -3.358775     -0.561731      1.741883
  C      -4.284674     -0.491607      2.883191
  O      -5.356521      0.163151      2.785449
  C      -3.847522     -0.956630      4.254826
  C      -2.263149     -1.438041      1.702322
  C      -1.398184     -1.490755      0.610727
  O      -0.344440     -2.367676      0.604707
  C      -9.998768      9.144386      5.168221
  C      -9.862123      7.781900      4.542371
  O     -10.850057      7.306931      3.902565
  C      -8.638877      7.023375      4.687074
  C      -7.528933      7.504648      5.426861
  C      -6.381915      6.756804      5.597952
  O      -5.313095      7.237653      6.315107
  C      -6.282670      5.441387      5.040068
  C      -5.183347      4.559396      5.269664
  O      -5.253009      3.344219      4.807051
  C      -3.905903      4.895476      5.991677
  C      -7.380282      4.972386      4.271224
  C      -8.527295      5.727052      4.083480
  O      -9.540388      5.224105      3.350225
  C     -12.232767      6.151815      6.883215
  C     -10.900694      6.457886      7.534864
  O     -10.738485      7.564890      8.061757
  C      -9.801074      5.452944      7.557317
  C      -8.674404      5.796259      8.327955
  C      -7.561511      4.973275      8.434837
  O      -6.517525      5.370493      9.195230
  C      -7.529313      3.738616      7.712324
  C      -6.318885      2.930125      7.732857
  O      -5.341603      3.248173      8.460725
  C      -6.224962      1.682881      6.843805
  C      -8.659047      3.393038      6.944569
  C      -9.779437      4.210292      6.862895
  O     -10.795695      3.721966      6.083372
  H       1.165923     -1.296586     -1.058289
  H       0.936133     -1.221649     -2.844181
  H       0.160400     -2.503115     -1.843472
  H      -2.860740      0.904753     -1.309339
  H      -5.175466      0.894543      1.423188
  H      -4.733123     -1.038800      4.906238
  H      -3.306402     -1.918050      4.255871
  H      -2.079753     -2.103960      2.548716
  H      -0.377412     -2.888732      1.427413
  H     -10.060799      9.052466      6.264934
  H      -9.140963      9.790487      4.934098
  H     -10.920235      9.611889      4.803424
  H      -7.588032      8.485851      5.902522
  H      -5.585401      8.067687      6.746414
  H      -3.380163      5.716053      5.459999
  H      -4.127924      5.293606      6.999744
  H      -7.327796      3.979089      3.827997
  H     -10.264546      5.944235      3.406364
  H     -12.138663      6.214330      5.782280
  H     -12.624056      5.161978      7.159957
  H     -12.949663      6.923927      7.185509
  H      -8.687793      6.750739      8.854252
  H      -5.839822      4.623743      9.095560
  H      -6.741649      1.893725      5.899327
  H      -6.799809      0.874034      7.341132
  H      -8.678505      2.470922      6.365315
  H     -11.387602      4.443825      5.808387
  N      -3.199496      2.624523      3.460793
  N      -3.387435      3.234481      2.346657
  H      -2.951028      4.143866      2.175050
  H      -3.892397      2.763820      1.576171
96
Coordinates from ORCA-job orca E -6715.897200975578
  N      -3.003614      0.109673      4.678635
  Mo     -3.691610      2.031482      5.194001
  N      -4.881532      1.218229      6.590202
  C      -4.235021      0.537010      7.711085
  C      -2.775075      0.215773      7.407076
  N      -2.127727      1.334546      6.641018
  C      -1.000841      0.826721      5.817741
  C      -1.576488     -0.067524      4.690343
  C      -1.712913      2.428634      7.570385
  C      -1.883431      3.757098      6.859624
  N      -3.124469      3.667503      6.133253
  H      -1.094555      0.215421      3.730406
  H      -1.325118     -1.129263      4.874057
  H      -0.479797      1.699571      5.405187
  H      -0.293292      0.271978      6.458550
  H      -1.915403      4.575157      7.600008
  H      -1.025847      3.966118      6.186122
  H      -2.398989      2.400281      8.426513
  H      -0.686857      2.246814      7.928651
  H      -4.758540     -0.407977      7.960323
  H      -4.299811      1.180912      8.605065
  H      -2.694953     -0.687896      6.798407
  H      -2.209484      0.054260      8.340458
  C       0.446716     -1.378034     -1.900871
  C      -0.759114     -0.490023     -1.736804
  O      -1.053802      0.318150     -2.614857
  C      -1.615709     -0.578287     -0.501345
  C      -2.722745      0.281418     -0.458150
  C      -3.597405      0.311316      0.621437
  O      -4.640630      1.184978      0.612128
  C      -3.365138     -0.536926      1.739750
  C      -4.291911     -0.484735      2.879416
  O      -5.367740      0.164308      2.785983
  C      -3.861173     -0.966613      4.246178
  C      -2.259514     -1.401408      1.696061
  C      -1.396759     -1.442105      0.602236
  O      -0.333068     -2.307100      0.591053
  C      -9.986529      9.140795      5.101728
  C      -9.854969      7.770027      4.493358
  O     -10.843957      7.292049      3.856261
  C      -8.636621      7.007571      4.650226
  C      -7.520791      7.496807      5.376420
  C      -6.377564      6.745817      5.557035
  O      -5.301911      7.234807      6.258963
  C      -6.288827      5.418120      5.026363
  C      -5.195434      4.534165      5.270577
  O      -5.280699      3.304958      4.845619
  C      -3.908369      4.877149      5.973659
  C      -7.392759      4.940550      4.271224
  C      -8.534751      5.699346      4.070909
  O      -9.553969      5.189903      3.350691
  C     -12.195723      6.171813      6.867483
  C     -10.862613      6.474942      7.518086
  O     -10.691962      7.587045      8.031529
  C      -9.771433      5.461212      7.554206
  C      -8.638236      5.809516      8.312842
  C      -7.532281      4.978770      8.431425
  O      -6.482625      5.381351      9.181007
  C      -7.513540      3.730645      7.731123
  C      -6.311274      2.909724      7.762556
  O      -5.327103      3.230978      8.479226
  C      -6.230268      1.649027      6.891595
  C      -8.649508      3.380704      6.974795
  C      -9.763963      4.205130      6.883778
  O     -10.788812      3.708702      6.121170
  H       1.159484     -1.226063     -1.077866
  H       0.920019     -1.150491     -2.862320
  H       0.157566     -2.437961     -1.858866
  H      -2.887614      0.943048     -1.309246
  H      -5.186265      0.912971      1.439717
  H      -4.751791     -1.062329      4.889269
  H      -3.318244     -1.927288      4.235838
  H      -2.068263     -2.068821      2.539113
  H      -0.358412     -2.832039      1.411532
  H     -10.039985      9.063465      6.199986
  H      -9.130166      9.783513      4.852792
  H     -10.910212      9.604031      4.737254
  H      -7.571970      8.488064      5.831693
  H      -5.565545      8.078529      6.668486
  H      -3.369736      5.665788      5.406933
  H      -4.118041      5.321347      6.964754
  H      -7.348454      3.937810      3.849031
  H     -10.271246      5.918922      3.392577
  H     -12.095831      6.201518      5.765715
  H     -12.604147      5.196727      7.171274
  H     -12.902193      6.962729      7.144377
  H      -8.641369      6.773984      8.820666
  H      -5.812290      4.625693      9.095266
  H      -6.760813      1.844797      5.951771
  H      -6.796913      0.847476      7.409221
  H      -8.679641      2.447852      6.413558
  H     -11.381639      4.428156      5.842014
  N      -3.217051      2.619276      3.500858
  N      -3.419926      3.243671      2.397230
  H      -3.021247      4.173346      2.245663
  H      -3.911272      2.774593      1.619222
96
Coordinates from ORCA-job orca E -6715.897575068993
  N      -3.032385      0.079997      4.701838
  Mo     -3.717991      1.999606      5.213784
  N      -4.891413      1.180540      6.621480
  C      -4.228702      0.510688      7.740763
  C      -2.770303      0.194411      7.423880
  N      -2.135670      1.312400      6.644703
  C      -1.018595      0.806478      5.806564
  C      -1.605907     -0.101571      4.697549
  C      -1.710815      2.409924      7.566029
  C      -1.899623      3.736623      6.857735
  N      -3.148888      3.636983      6.149251
  H      -1.130572      0.163635      3.728884
  H      -1.357165     -1.162079      4.895565
  H      -0.512642      1.680522      5.378006
  H      -0.295139      0.263401      6.439547
  H      -1.929517      4.554098      7.599414
  H      -1.051628      3.953592      6.173874
  H      -2.380991      2.378602      8.434419
  H      -0.677657      2.234041      7.906197
  H      -4.743573     -0.435551      8.002442
  H      -4.287454      1.160164      8.631178
  H      -2.694232     -0.711754      6.818406
  H      -2.194244      0.039903      8.351991
  C       0.468902     -1.287499     -1.877496
  C      -0.746998     -0.413165     -1.714141
  O      -1.043746      0.399694     -2.586995
  C      -1.612530     -0.520929     -0.485638
  C      -2.732624      0.321813     -0.447600
  C      -3.617679      0.331721      0.624324
  O      -4.675441      1.185860      0.608631
  C      -3.381174     -0.518794      1.740894
  C      -4.313722     -0.484601      2.875019
  O      -5.387368      0.168811      2.786373
  C      -3.890810     -0.982480      4.237661
  C      -2.261421     -1.366141      1.701711
  C      -1.389516     -1.387832      0.614685
  O      -0.311859     -2.235828      0.607299
  C      -9.966329      9.144930      5.044617
  C      -9.849949      7.762593      4.459688
  O     -10.850912      7.277319      3.846316
  C      -8.636066      6.994640      4.620093
  C      -7.507423      7.492322      5.320707
  C      -6.368715      6.736212      5.506996
  O      -5.280184      7.233670      6.183324
  C      -6.297559      5.394147      5.010141
  C      -5.210896      4.506344      5.265727
  O      -5.315854      3.263911      4.881505
  C      -3.910181      4.854046      5.942879
  C      -7.414280      4.907638      4.278931
  C      -8.551352      5.671767      4.071287
  O      -9.582974      5.154259      3.374565
  C     -12.155853      6.195286      6.856370
  C     -10.819006      6.495221      7.500576
  O     -10.635752      7.613740      7.995277
  C      -9.738537      5.470369      7.551459
  C      -8.595421      5.823546      8.292762
  C      -7.497864      4.983256      8.422038
  O      -6.437037      5.391883      9.152654
  C      -7.498230      3.719611      7.749839
  C      -6.304585      2.886012      7.791336
  O      -5.313922      3.210707      8.496642
  C      -6.237045      1.611625      6.938685
  C      -8.643773      3.364929      7.010670
  C      -9.750460      4.198920      6.910209
  O     -10.786602      3.695669      6.168059
  H       1.176002     -1.132410     -1.050087
  H       0.944612     -1.049507     -2.835224
  H       0.191056     -2.350738     -1.842468
  H      -2.900391      0.984812     -1.297041
  H      -5.223319      0.901360      1.431242
  H      -4.785735     -1.086003      4.874011
  H      -3.349419     -1.944091      4.218181
  H      -2.066642     -2.035504      2.542255
  H      -0.335426     -2.766690      1.424041
  H      -9.994549      9.088422      6.145142
  H      -9.114910      9.781574      4.764270
  H     -10.897194      9.602858      4.691890
  H      -7.544617      8.495656      5.750387
  H      -5.530621      8.092441      6.569282
  H      -3.360405      5.605753      5.337030
  H      -4.101279      5.347271      6.914030
  H      -7.383645      3.893814      3.882773
  H     -10.291015      5.893987      3.401413
  H     -12.053882      6.186314      5.754434
  H     -12.582365      5.238574      7.192847
  H     -12.848932      7.006992      7.105454
  H      -8.583731      6.799829      8.777360
  H      -5.776785      4.625693      9.080816
  H      -6.784517      1.791857      6.005684
  H      -6.792652      0.817253      7.478454
  H      -8.688433      2.420030      6.470952
  H     -11.377737      4.414096      5.882545
  N      -3.252551      2.607460      3.526854
  N      -3.479267      3.245359      2.434281
  H      -3.122174      4.194262      2.301420
  H      -3.974683      2.782821      1.656888
96
Coordinates from ORCA-job orca E -6715.897928085702
  N      -3.045782      0.065846      4.731073
  Mo     -3.733505      1.980202      5.245752
  N      -4.894213      1.145810      6.658045
  C      -4.217396      0.485886      7.775687
  C      -2.758733      0.179662      7.450371
  N      -2.136715      1.300899      6.664092
  C      -1.026229      0.801354      5.812742
  C      -1.619644     -0.117249      4.716837
  C      -1.706654      2.399785      7.582037
  C      -1.914684      3.726717      6.880437
  N      -3.170398      3.616680      6.187564
  H      -1.147327      0.134547      3.742813
  H      -1.372189     -1.176717      4.925901
  H      -0.535594      1.678856      5.373408
  H      -0.288152      0.269017      6.437967
  H      -1.945206      4.541166      7.626042
  H      -1.075567      3.955431      6.188587
  H      -2.363205      2.361092      8.460356
  H      -0.667365      2.230617      7.906399
  H      -4.721704     -0.463817      8.045189
  H      -4.275243      1.138127      8.664229
  H      -2.681970     -0.726747      6.845385
  H      -2.175146      0.030773      8.374610
  C       0.447590     -1.239438     -1.893454
  C      -0.761921     -0.358838     -1.716452
  O      -1.055635      0.465884     -2.579086
  C      -1.626305     -0.475100     -0.487001
  C      -2.744737      0.369194     -0.441085
  C      -3.629298      0.371767      0.632008
  O      -4.683930      1.227633      0.624176
  C      -3.392432     -0.488775      1.741787
  C      -4.321705     -0.463478      2.877516
  O      -5.396026      0.190168      2.797545
  C      -3.903302     -0.982548      4.233443
  C      -2.273023     -1.337250      1.694147
  C      -1.402856     -1.351391      0.605802
  O      -0.325750     -2.200553      0.589432
  C      -9.941438      9.153453      4.985044
  C      -9.837985      7.760217      4.423914
  O     -10.847382      7.269675      3.827763
  C      -8.629179      6.986793      4.592488
  C      -7.490485      7.492514      5.271204
  C      -6.356634      6.731909      5.467384
  O      -5.257937      7.237712      6.121450
  C      -6.300331      5.376625      5.004538
  C      -5.220257      4.486258      5.274277
  O      -5.341608      3.232316      4.928705
  C      -3.908681      4.838179      5.930227
  C      -7.427139      4.881437      4.293699
  C      -8.559288      5.649914      4.075348
  O      -9.601089      5.124069      3.399985
  C     -12.130193      6.193451      6.826765
  C     -10.790219      6.496859      7.462581
  O     -10.598313      7.623010      7.935938
  C      -9.717159      5.464563      7.532231
  C      -8.567166      5.826429      8.258391
  C      -7.476615      4.979467      8.403736
  O      -6.407124      5.397078      9.116668
  C      -7.491536      3.699864      7.763247
  C      -6.304141      2.857508      7.821279
  O      -5.314406      3.187587      8.524106
  C      -6.239730      1.570823      6.986034
  C      -8.643254      3.336641      7.038511
  C      -9.743641      4.177422      6.922936
  O     -10.787095      3.664684      6.198264
  H       1.159833     -1.095292     -1.068333
  H       0.920045     -0.996438     -2.851567
  H       0.163619     -2.301339     -1.865251
  H      -2.911773      1.039689     -1.284804
  H      -5.225249      0.946916      1.452880
  H      -4.802229     -1.095700      4.862751
  H      -3.363974     -1.945300      4.201537
  H      -2.079189     -2.016071      2.527211
  H      -0.348395     -2.738613      1.401524
  H      -9.949630      9.117277      6.086858
  H      -9.093692      9.782997      4.677905
  H     -10.877231      9.607197      4.639951
  H      -7.515351      8.507405      5.674173
  H      -5.497208      8.110400      6.482709
  H      -3.346908      5.550587      5.287790
  H      -4.083929      5.380129      6.877837
  H      -7.408172      3.857378      3.923855
  H     -10.301036      5.872985      3.410527
  H     -12.027513      6.141040      5.726114
  H     -12.571170      5.256701      7.199736
  H     -12.812024      7.023600      7.044088
  H      -8.544277      6.814916      8.717231
  H      -5.756119      4.621432      9.063236
  H      -6.800262      1.734777      6.058004
  H      -6.782973      0.780421      7.543752
  H      -8.698460      2.379133      6.522413
  H     -11.376422      4.380561      5.902469
  N      -3.269858      2.612700      3.569649
  N      -3.508749      3.263304      2.485063
  H      -3.184749      4.226118      2.372075
  H      -3.988034      2.802814      1.698296
96
Coordinates from ORCA-job orca E -6715.898264943373
  N      -3.062979      0.050635      4.753014
  Mo     -3.752958      1.959221      5.273597
  N      -4.899991      1.108887      6.692242
  C      -4.207101      0.457846      7.805800
  C      -2.748382      0.161993      7.469851
  N      -2.140395      1.287330      6.677445
  C      -1.037312      0.795373      5.811499
  C      -1.637135     -0.132627      4.728314
  C      -1.704714      2.386862      7.592279
  C      -1.933412      3.714409      6.898593
  N      -3.197206      3.594066      6.224715
  H      -1.168981      0.107486      3.749157
  H      -1.389297     -1.190837      4.946558
  H      -0.562777      1.676665      5.362097
  H      -0.284176      0.273381      6.427401
  H      -1.962160      4.525640      7.648323
  H      -1.105319      3.954759      6.196673
  H      -2.346614      2.340107      8.480810
  H      -0.659289      2.224711      7.899663
  H      -4.700208     -0.495448      8.083351
  H      -4.262453      1.112102      8.693107
  H      -2.671315     -0.744010      6.864403
  H      -2.156417      0.017901      8.389346
  C       0.436358     -1.172005     -1.895149
  C      -0.771815     -0.291791     -1.707332
  O      -1.063103      0.545309     -2.558775
  C      -1.638498     -0.423843     -0.480674
  C      -2.760040      0.415698     -0.428590
  C      -3.647737      0.403350      0.642444
  O      -4.706119      1.252335      0.640257
  C      -3.408671     -0.467054      1.744413
  C      -4.336364     -0.452959      2.879911
  O      -5.409061      0.204479      2.808441
  C      -3.920102     -0.986583      4.230827
  C      -2.285629     -1.311249      1.689867
  C      -1.413851     -1.311098      0.603038
  O      -0.333039     -2.155762      0.579185
  C      -9.923201      9.155168      4.911386
  C      -9.828816      7.752103      4.373856
  O     -10.841096      7.258051      3.785018
  C      -8.625323      6.974212      4.555718
  C      -7.478880      7.487207      5.216043
  C      -6.350118      6.722622      5.425120
  O      -5.242918      7.236847      6.058517
  C      -6.307393      5.355125      4.996650
  C      -5.233955      4.462510      5.281064
  O      -5.371949      3.198560      4.975015
  C      -3.910816      4.817681      5.913930
  C      -7.442357      4.852126      4.303312
  C      -8.568748      5.624690      4.070928
  O      -9.618940      5.091881      3.413893
  C     -12.092606      6.205553      6.807953
  C     -10.748812      6.507353      7.436141
  O     -10.546005      7.638200      7.892873
  C      -9.685273      5.465353      7.521107
  C      -8.528377      5.830710      8.233689
  C      -7.447579      4.974058      8.395777
  O      -6.371451      5.395788      9.095963
  C      -7.479728      3.680702      7.784362
  C      -6.301103      2.825428      7.856968
  O      -5.311570      3.154676      8.558494
  C      -6.243621      1.529403      7.034756
  C      -8.637778      3.314285      7.072398
  C      -9.729453      4.164704      6.941866
  O     -10.781304      3.646645      6.234069
  H       1.149684     -1.036801     -1.069405
  H       0.908039     -0.919644     -2.851175
  H       0.151471     -2.233878     -1.877060
  H      -2.927838      1.094232     -1.265654
  H      -5.244786      0.966406      1.468675
  H      -4.822008     -1.105981      4.854873
  H      -3.383271     -1.950614      4.189950
  H      -2.091668     -1.999815      2.514700
  H      -0.354222     -2.702534      1.385456
  H      -9.919686      9.137585      6.013653
  H      -9.077029      9.777136      4.584630
  H     -10.861061      9.605563      4.567631
  H      -7.492456      8.512923      5.591274
  H      -5.471943      8.122554      6.393907
  H      -3.338071      5.486044      5.233736
  H      -4.067344      5.409901      6.834040
  H      -7.433797      3.819022      3.959186
  H     -10.309985      5.849615      3.405531
  H     -11.990846      6.115918      5.709777
  H     -12.547996      5.288453      7.211726
  H     -12.761946      7.052309      6.998029
  H      -8.492412      6.829316      8.669070
  H      -5.732986      4.608465      9.065909
  H      -6.818088      1.681766      6.113493
  H      -6.775044      0.742563      7.608554
  H      -8.705729      2.345970      6.578426
  H     -11.367218      4.361408      5.929056
  N      -3.292814      2.619290      3.609856
  N      -3.540332      3.284230      2.533584
  H      -3.237212      4.255139      2.438691
  H      -4.007037      2.829936      1.737602
96
Coordinates from ORCA-job orca E -6715.898599798081
  N      -3.078367      0.047727      4.769397
  Mo     -3.770436      1.948258      5.303401
  N      -4.899976      1.075535      6.728441
  C      -4.188665      0.432548      7.835443
  C      -2.730465      0.150416      7.486129
  N      -2.139242      1.282073      6.689139
  C      -1.045131      0.799479      5.805793
  C      -1.652506     -0.134528      4.732997
  C      -1.696991      2.381564      7.601123
  C      -1.948238      3.710126      6.917101
  N      -3.222637      3.580266      6.267311
  H      -1.190296      0.098765      3.749368
  H      -1.402726     -1.192023      4.955213
  H      -0.587429      1.685486      5.348182
  H      -0.276449      0.286190      6.409684
  H      -1.971317      4.518206      7.670931
  H      -1.134405      3.961333      6.201699
  H      -2.322603      2.325793      8.500551
  H      -0.645172      2.226839      7.889507
  H      -4.668430     -0.525672      8.119658
  H      -4.241437      1.086936      8.722898
  H      -2.652369     -0.753945      6.878335
  H      -2.128690      0.010228      8.399661
  C       0.415776     -1.130928     -1.897873
  C      -0.783402     -0.241170     -1.697479
  O      -1.065306      0.611608     -2.536503
  C      -1.653059     -0.382839     -0.473641
  C      -2.770475      0.461396     -0.414212
  C      -3.661154      0.440982      0.654849
  O      -4.715293      1.293158      0.659512
  C      -3.426951     -0.442269      1.748019
  C      -4.351978     -0.432500      2.884400
  O      -5.421564      0.231077      2.821269
  C      -3.937527     -0.979709      4.230776
  C      -2.307354     -1.291184      1.685778
  C      -1.434318     -1.283454      0.600336
  O      -0.357027     -2.132753      0.568090
  C      -9.899377      9.168148      4.851080
  C      -9.817416      7.755396      4.337470
  O     -10.836265      7.257879      3.762617
  C      -8.619631      6.971815      4.530027
  C      -7.464107      7.490305      5.170187
  C      -6.341108      6.720872      5.391359
  O      -5.224465      7.241608      6.003008
  C      -6.313531      5.342128      4.997637
  C      -5.246608      4.447120      5.295123
  O      -5.401021      3.174654      5.027624
  C      -3.910877      4.803698      5.902868
  C      -7.457777      4.833028      4.323049
  C      -8.578248      5.610241      4.078204
  O      -9.637941      5.071522      3.441059
  C     -12.059049      6.200607      6.766136
  C     -10.715619      6.501585      7.395211
  O     -10.505177      7.636795      7.836258
  C      -9.660524      5.451474      7.499741
  C      -8.499510      5.821586      8.202213
  C      -7.428323      4.956729      8.385315
  O      -6.346779      5.383568      9.073868
  C      -7.475392      3.650119      7.805053
  C      -6.304596      2.784411      7.898123
  O      -5.320578      3.115667      8.604131
  C      -6.244390      1.482367      7.084741
  C      -8.636695      3.279077      7.102129
  C      -9.719649      4.137901      6.951674
  O     -10.776964      3.614154      6.257119
  H       1.131731     -1.011831     -1.071864
  H       0.888321     -0.871913     -2.851672
  H       0.120961     -2.190227     -1.891184
  H      -2.933419      1.150342     -1.243699
  H      -5.253659      1.006912      1.487681
  H      -4.841642     -1.101775      4.851257
  H      -3.405212     -1.946014      4.181901
  H      -2.118788     -1.991596      2.501883
  H      -0.380912     -2.687788      1.368621
  H      -9.879364      9.169753      5.953326
  H      -9.055872      9.781124      4.500878
  H     -10.840329      9.616030      4.512575
  H      -7.464978      8.525926      5.517569
  H      -5.442061      8.139642      6.312359
  H      -3.328601      5.423580      5.184608
  H      -4.044965      5.445675      6.792113
  H      -7.460589      3.791862      4.004042
  H     -10.319243      5.838246      3.413000
  H     -11.952902      6.078671      5.671655
  H     -12.527961      5.301046      7.193706
  H     -12.718996      7.060338      6.928609
  H      -8.452372      6.830134      8.612879
  H      -5.720802      4.585906      9.069645
  H      -6.831641      1.622765      6.169871
  H      -6.759790      0.694033      7.670919
  H      -8.714849      2.300033      6.631300
  H     -11.357792      4.327475      5.939234
  N      -3.315612      2.634302      3.650540
  N      -3.565580      3.308726      2.578420
  H      -3.281453      4.286172      2.498278
  H      -4.019461      2.858382      1.773931
96
Coordinates from ORCA-job orca E -6715.898957411539
  N      -3.091207      0.047499      4.778133
  Mo     -3.787513      1.938021      5.333006
  N      -4.900723      1.039726      6.763869
  C      -4.169821      0.402521      7.861413
  C      -2.712351      0.134260      7.496804
  N      -2.137943      1.274736      6.699724
  C      -1.052146      0.804770      5.798250
  C      -1.665268     -0.131627      4.731827
  C      -1.690933      2.372418      7.611689
  C      -1.966041      3.703571      6.941050
  N      -3.252590      3.565091      6.318784
  H      -1.208738      0.100133      3.745250
  H      -1.411732     -1.188883      4.952995
  H      -0.611211      1.697043      5.336193
  H      -0.268639      0.298434      6.388889
  H      -1.980557      4.507137      7.700405
  H      -1.169004      3.966689      6.210436
  H      -2.300932      2.304630      8.520923
  H      -0.633187      2.225694      7.881638
  H      -4.636275     -0.560941      8.151043
  H      -4.218283      1.055316      8.750403
  H      -2.633018     -0.766426      6.883627
  H      -2.100753     -0.005104      8.403775
  C       0.390020     -1.085179     -1.901654
  C      -0.796730     -0.182863     -1.683456
  O      -1.066705      0.689918     -2.505980
  C      -1.669440     -0.337319     -0.463260
  C      -2.780329      0.514430     -0.391974
  C      -3.673964      0.483317      0.674918
  O      -4.722047      1.341234      0.691107
  C      -3.446885     -0.417991      1.754722
  C      -4.368755     -0.413237      2.892689
  O      -5.434785      0.257433      2.839497
  C      -3.953768     -0.974045      4.234015
  C      -2.333102     -1.274060      1.681020
  C      -1.459004     -1.256514      0.596846
  O      -0.387512     -2.113005      0.552415
  C      -9.883795      9.171612      4.765952
  C      -9.808620      7.749610      4.277586
  O     -10.826537      7.250171      3.702411
  C      -8.618391      6.960828      4.493483
  C      -7.459071      7.485450      5.122242
  C      -6.342038      6.713229      5.363158
  O      -5.220385      7.242691      5.958490
  C      -6.324932      5.324123      5.004137
  C      -5.263511      4.428600      5.316481
  O      -5.431071      3.149446      5.082238
  C      -3.917081      4.785697      5.902737
  C      -7.474074      4.807907      4.342005
  C      -8.588082      5.587735      4.077164
  O      -9.652764      5.042101      3.453797
  C     -12.020486      6.205321      6.743436
  C     -10.672340      6.504649      7.362747
  O     -10.452169      7.641880      7.792183
  C      -9.625546      5.445397      7.479536
  C      -8.458979      5.816788      8.170520
  C      -7.399401      4.941455      8.373728
  O      -6.312489      5.369366      9.052581
  C      -7.465629      3.623144      7.824128
  C      -6.305542      2.742827      7.939083
  O      -5.329487      3.071711      8.654208
  C      -6.244761      1.434128      7.135202
  C      -8.630727      3.251471      7.129710
  C      -9.702867      4.121104      6.960070
  O     -10.766766      3.595714      6.277722
  H       1.109587     -0.988432     -1.075738
  H       0.863531     -0.816798     -2.852427
  H       0.081704     -2.140677     -1.910803
  H      -2.936765      1.218200     -1.210320
  H      -5.262650      1.049540      1.515231
  H      -4.858361     -1.095484      4.853879
  H      -3.427376     -1.943398      4.177970
  H      -2.151157     -1.989317      2.485976
  H      -0.415164     -2.678684      1.345382
  H      -9.861629      9.192174      5.867932
  H      -9.038094      9.774624      4.403483
  H     -10.823048      9.617854      4.420519
  H      -7.450507      8.530483      5.440403
  H      -5.430024      8.151946      6.239535
  H      -3.326118      5.356349      5.149969
  H      -4.029722      5.472932      6.759789
  H      -7.484520      3.759503      4.047632
  H     -10.324539      5.816520      3.400578
  H     -11.920217      6.056160      5.651988
  H     -12.497318      5.321208      7.194445
  H     -12.670772      7.075588      6.887787
  H      -8.398868      6.833425      8.559183
  H      -5.702486      4.560198      9.077012
  H      -6.844717      1.563284      6.227094
  H      -6.744507      0.644974      7.733978
  H      -8.721683      2.262681      6.681776
  H     -11.339840      4.309238      5.946270
  N      -3.337606      2.653766      3.695674
  N      -3.583825      3.339859      2.627230
  H      -3.305903      4.319609      2.560630
  H      -4.021054      2.895096      1.810869
96
Coordinates from ORCA-job orca E -6715.899271924136
  N      -3.104955      0.060744      4.775588
  Mo     -3.803075      1.938679      5.359609
  N      -4.893512      1.012803      6.800101
  C      -4.139545      0.382994      7.885381
  C      -2.685154      0.128115      7.499266
  N      -2.130182      1.276870      6.701416
  C      -1.056118      0.818372      5.779383
  C      -1.679117     -0.116883      4.718421
  C      -1.674897      2.373106      7.610414
  C      -1.974909      3.706145      6.952572
  N      -3.278592      3.560574      6.368720
  H      -1.231311      0.116670      3.728556
  H      -1.421776     -1.174369      4.934078
  H      -0.630429      1.716029      5.313449
  H      -0.258483      0.315781      6.354070
  H      -1.971339      4.507361      7.714747
  H      -1.201243      3.976293      6.199365
  H      -2.266849      2.295506      8.530741
  H      -0.611021      2.234664      7.859220
  H      -4.591489     -0.585310      8.182848
  H      -4.179767      1.034989      8.775622
  H      -2.607722     -0.768684      6.879987
  H      -2.060590     -0.011794      8.397110
  C       0.358736     -1.063657     -1.898031
  C      -0.812646     -0.144951     -1.664945
  O      -1.065223      0.748058     -2.471507
  C      -1.689346     -0.307046     -0.449404
  C      -2.790164      0.556667     -0.366964
  C      -3.687005      0.519940      0.697174
  O      -4.724864      1.389356      0.724657
  C      -3.472089     -0.399153      1.763857
  C      -4.392364     -0.394588      2.902558
  O      -5.454309      0.283588      2.855609
  C      -3.975045     -0.960084      4.242473
  C      -2.367682     -1.266283      1.680179
  C      -1.491665     -1.243798      0.597962
  O      -0.429679     -2.111412      0.543451
  C      -9.862999      9.191412      4.705502
  C      -9.798137      7.760394      4.242079
  O     -10.817625      7.259642      3.671560
  C      -8.614972      6.965974      4.475630
  C      -7.450954      7.492676      5.094070
  C      -6.340790      6.715990      5.351556
  O      -5.214939      7.249212      5.935353
  C      -6.335542      5.319112      5.021608
  C      -5.279485      4.421711      5.344594
  O      -5.458495      3.138234      5.137475
  C      -3.922893      4.777396      5.909139
  C      -7.490131      4.800326      4.370152
  C      -8.597031      5.584401      4.089096
  O      -9.667837      5.035356      3.478351
  C     -11.982791      6.189024      6.680072
  C     -10.642142      6.485434      7.316309
  O     -10.417544      7.624810      7.734876
  C      -9.602435      5.419351      7.453248
  C      -8.437715      5.793167      8.144160
  C      -7.387703      4.911533      8.371606
  O      -6.302057      5.342035      9.050291
  C      -7.463936      3.585269      7.845940
  C      -6.310247      2.696489      7.984192
  O      -5.346732      3.026738      8.711978
  C      -6.239477      1.383810      7.186720
  C      -8.626779      3.210485      7.151933
  C      -9.689547      4.087096      6.957157
  O     -10.751777      3.560254      6.274452
  H       1.080732     -0.990055     -1.071857
  H       0.835502     -0.789138     -2.845401
  H       0.033358     -2.113750     -1.921817
  H      -2.936858      1.275255     -1.174213
  H      -5.271427      1.093715      1.542194
  H      -4.878003     -1.072361      4.866074
  H      -3.457473     -1.934058      4.184924
  H      -2.194917     -1.994520      2.475735
  H      -0.463377     -2.685632      1.329997
  H      -9.834942      9.230893      5.806674
  H      -9.015743      9.782875      4.327911
  H     -10.801138      9.637140      4.356448
  H      -7.432359      8.544429      5.388707
  H      -5.415597      8.167585      6.192173
  H      -3.326310      5.298807      5.124223
  H      -4.012307      5.503961      6.735143
  H      -7.509313      3.746672      4.095852
  H     -10.329302      5.816483      3.402316
  H     -11.868490      6.022018      5.592966
  H     -12.472261      5.315328      7.137838
  H     -12.628284      7.066257      6.801856
  H      -8.371483      6.815735      8.515903
  H      -5.705951      4.525453      9.106069
  H      -6.852636      1.498520      6.285637
  H      -6.716755      0.589459      7.796938
  H      -8.723228      2.214015      6.722369
  H     -11.313545      4.273369      5.923229
  N      -3.359155      2.680496      3.732956
  N      -3.590603      3.371651      2.662627
  H      -3.305581      4.349457      2.602292
  H      -4.017478      2.930717      1.838096
96
Coordinates from ORCA-job orca E -6715.899493007512
  N      -3.115890      0.081227      4.741694
  Mo     -3.811868      1.950045      5.356835
  N      -4.892082      1.009322      6.806087
  C      -4.123492      0.382870      7.881551
  C      -2.673829      0.128152      7.477144
  N      -2.125858      1.281242      6.682564
  C      -1.059812      0.826861      5.748706
  C      -1.690696     -0.100584      4.685907
  C      -1.663481      2.375957      7.589697
  C      -1.975788      3.711559      6.940165
  N      -3.295401      3.566987      6.390973
  H      -1.245678      0.138617      3.696460
  H      -1.435050     -1.159841      4.892389
  H      -0.636859      1.726734      5.284542
  H      -0.258234      0.319634      6.313808
  H      -1.948147      4.512786      7.701772
  H      -1.222772      3.979572      6.165586
  H      -2.246229      2.293340      8.515679
  H      -0.596633      2.240832      7.827268
  H      -4.570626     -0.585449      8.187392
  H      -4.151180      1.036398      8.771622
  H      -2.603061     -0.764817      6.850967
  H      -2.040571     -0.019116      8.367680
  C       0.373306     -1.107317     -1.873233
  C      -0.775942     -0.161304     -1.638088
  O      -0.998133      0.747817     -2.435961
  C      -1.668257     -0.317848     -0.434313
  C      -2.750598      0.569035     -0.352113
  C      -3.659037      0.539982      0.702178
  O      -4.678143      1.432318      0.729729
  C      -3.475010     -0.395029      1.760116
  C      -4.404868     -0.379589      2.892590
  O      -5.458832      0.310672      2.838580
  C      -3.996374     -0.944114      4.237375
  C      -2.389354     -1.284621      1.677953
  C      -1.502134     -1.269975      0.604799
  O      -0.458530     -2.159687      0.551902
  C      -9.873674      9.200241      4.690175
  C      -9.805738      7.769764      4.224659
  O     -10.817646      7.273278      3.638101
  C      -8.627479      6.972425      4.473907
  C      -7.468601      7.498463      5.102472
  C      -6.360443      6.722318      5.369427
  O      -5.240005      7.257321      5.961786
  C      -6.351737      5.324979      5.039632
  C      -5.294950      4.428744      5.362128
  O      -5.473796      3.144878      5.152160
  C      -3.935916      4.783374      5.919351
  C      -7.502949      4.805955      4.382138
  C      -8.608062      5.589504      4.092911
  O      -9.676265      5.038238      3.478316
  C     -11.993039      6.177698      6.718112
  C     -10.640884      6.480829      7.325872
  O     -10.420389      7.613709      7.760766
  C      -9.595209      5.415813      7.447944
  C      -8.430663      5.788515      8.137773
  C      -7.381575      4.904876      8.366365
  O      -6.297265      5.334247      9.047386
  C      -7.462793      3.578427      7.843800
  C      -6.315376      2.679692      7.996636
  O      -5.361409      3.004939      8.736744
  C      -6.238871      1.366013      7.201098
  C      -8.623449      3.206004      7.146982
  C      -9.683272      4.085774      6.947166
  O     -10.742850      3.563090      6.257581
  H       1.092063     -1.059045     -1.042340
  H       0.862360     -0.835593     -2.815183
  H       0.022310     -2.148807     -1.908831
  H      -2.873675      1.300730     -1.151675
  H      -5.245630      1.133863      1.530983
  H      -4.899559     -1.035355      4.863382
  H      -3.492269     -1.925561      4.189166
  H      -2.238459     -2.022432      2.469630
  H      -0.511297     -2.738394      1.334126
  H      -9.858856      9.237600      5.791496
  H      -9.020751      9.790589      4.323808
  H     -10.806522      9.648610      4.330369
  H      -7.451327      8.550893      5.394952
  H      -5.442620      8.176761      6.213118
  H      -3.338413      5.280779      5.118754
  H      -4.012754      5.524875      6.732643
  H      -7.519698      3.752271      4.107798
  H     -10.335763      5.820038      3.393504
  H     -11.904491      6.022909      5.627263
  H     -12.460707      5.293062      7.177644
  H     -12.644813      7.046429      6.864964
  H      -8.364884      6.809725      8.513493
  H      -5.705140      4.516180      9.109444
  H      -6.859315      1.471205      6.303704
  H      -6.701257      0.568365      7.818514
  H      -8.721533      2.208281      6.720383
  H     -11.294525      4.278625      5.895309
  N      -3.364884      2.703274      3.739506
  N      -3.566636      3.393301      2.662097
  H      -3.260684      4.364928      2.603323
  H      -3.983884      2.953515      1.829951
96
Coordinates from ORCA-job orca E -6715.899631130485
  N      -3.109399      0.095453      4.734772
  Mo     -3.807193      1.960158      5.361738
  N      -4.884527      1.017605      6.813874
  C      -4.112620      0.392699      7.886601
  C      -2.665999      0.134099      7.474112
  N      -2.118289      1.288122      6.682660
  C      -1.053013      0.835532      5.747850
  C      -1.684630     -0.089011      4.683274
  C      -1.655655      2.382119      7.589867
  C      -1.969242      3.717944      6.941158
  N      -3.294511      3.576547      6.402867
  H      -1.239654      0.151315      3.694215
  H      -1.430683     -1.148367      4.888634
  H      -0.628551      1.735554      5.285675
  H      -0.252462      0.325008      6.311286
  H      -1.930739      4.520325      7.700746
  H      -1.222751      3.981341      6.159020
  H      -2.238102      2.299223      8.516019
  H      -0.588603      2.248404      7.826953
  H      -4.560233     -0.573969      8.196745
  H      -4.133696      1.048051      8.775744
  H      -2.600838     -0.756722      6.843919
  H      -2.029880     -0.019913      8.361466
  C       0.346998     -1.135373     -1.893064
  C      -0.796623     -0.183626     -1.653541
  O      -1.019916      0.723851     -2.452769
  C      -1.680595     -0.332387     -0.443808
  C      -2.759472      0.558495     -0.356960
  C      -3.660329      0.535795      0.703185
  O      -4.677641      1.431370      0.735030
  C      -3.473606     -0.396599      1.762389
  C      -4.402490     -0.378007      2.896998
  O      -5.457915      0.309244      2.839527
  C      -3.990156     -0.935871      4.243911
  C      -2.391954     -1.289737      1.676143
  C      -1.511209     -1.281307      0.597494
  O      -0.471447     -2.174831      0.541619
  C      -9.868949      9.215076      4.702843
  C      -9.803479      7.783609      4.239339
  O     -10.813552      7.289039      3.649384
  C      -8.626588      6.985026      4.490807
  C      -7.471117      7.508009      5.127155
  C      -6.364272      6.731166      5.395571
  O      -5.248251      7.263821      5.997466
  C      -6.352679      5.335929      5.057834
  C      -5.295140      4.439308      5.377656
  O      -5.470200      3.156928      5.158925
  C      -3.938108      4.794316      5.936837
  C      -7.500258      4.820094      4.392258
  C      -8.604530      5.604475      4.102737
  O      -9.669361      5.055331      3.479724
  C     -11.991307      6.156887      6.663460
  C     -10.655770      6.458840      7.307016
  O     -10.440044      7.594639      7.734889
  C      -9.607351      5.397352      7.439340
  C      -8.450911      5.774089      8.140235
  C      -7.398469      4.895718      8.374422
  O      -6.321356      5.330437      9.063633
  C      -7.468913      3.570606      7.847359
  C      -6.317971      2.676546      8.004229
  O      -5.367918      3.003537      8.748297
  C      -6.233343      1.363992      7.208634
  C      -8.622933      3.193574      7.142457
  C      -9.684914      4.068528      6.935192
  O     -10.735768      3.542851      6.234836
  H       1.073006     -1.084618     -1.068902
  H       0.828983     -0.870812     -2.840566
  H      -0.008078     -2.175489     -1.919871
  H      -2.886073      1.287757     -1.157998
  H      -5.244977      1.129576      1.534809
  H      -4.890539     -1.022670      4.874151
  H      -3.485423     -1.916983      4.199974
  H      -2.237327     -2.023482      2.470536
  H      -0.521499     -2.750408      1.326228
  H      -9.857405      9.254382      5.804054
  H      -9.013436      9.802177      4.337976
  H     -10.799411      9.665322      4.339616
  H      -7.455993      8.558430      5.426211
  H      -5.452292      8.182212      6.250936
  H      -3.340851      5.291804      5.136378
  H      -4.014620      5.533173      6.752011
  H      -7.514786      3.768365      4.111074
  H     -10.329068      5.836138      3.395078
  H     -11.874942      6.011159      5.574037
  H     -12.466221      5.266551      7.103173
  H     -12.649126      7.022428      6.801246
  H      -8.392963      6.794590      8.518587
  H      -5.723583      4.516951      9.126910
  H      -6.854658      1.462370      6.311181
  H      -6.688348      0.563970      7.828290
  H      -8.712500      2.196660      6.712744
  H     -11.280859      4.256645      5.859916
  N      -3.355648      2.716772      3.747432
  N      -3.545358      3.407259      2.670578
  H      -3.224559      4.374286      2.613297
  H      -3.953432      2.966629      1.833723
96
Coordinates from ORCA-job orca E -6715.899729275977
  N      -3.112328      0.098614      4.734458
  Mo     -3.810502      1.959550      5.367831
  N      -4.881382      1.019323      6.824653
  C      -4.105733      0.400449      7.897375
  C      -2.663665      0.135630      7.475680
  N      -2.116640      1.287173      6.681676
  C      -1.054162      0.833102      5.745289
  C      -1.688351     -0.093300      4.684660
  C      -1.650874      2.383159      7.584105
  C      -1.966985      3.716548      6.932509
  N      -3.298695      3.578259      6.407521
  H      -1.243476      0.141234      3.694142
  H      -1.439477     -1.152651      4.895100
  H      -0.630612      1.731955      5.280270
  H      -0.252480      0.322369      6.306949
  H      -1.917110      4.522602      7.687424
  H      -1.227367      3.972305      6.141230
  H      -2.229424      2.303856      8.512946
  H      -0.582741      2.251094      7.817160
  H      -4.554225     -0.562864      8.216344
  H      -4.118788      1.061287      8.782652
  H      -2.606300     -0.755214      6.844618
  H      -2.023398     -0.022450      8.359532
  C       0.338916     -1.153912     -1.901568
  C      -0.792916     -0.189619     -1.656102
  O      -1.005866      0.724802     -2.450141
  C      -1.674887     -0.332162     -0.444789
  C      -2.745395      0.568880     -0.353065
  C      -3.643363      0.551417      0.708687
  O      -4.652852      1.458003      0.746495
  C      -3.464970     -0.386479      1.764243
  C      -4.399505     -0.369100      2.895109
  O      -5.449485      0.326085      2.834944
  C      -3.993924     -0.931295      4.241462
  C      -2.391670     -1.288525      1.674213
  C      -1.512317     -1.284871      0.593915
  O      -0.481378     -2.187784      0.534544
  C      -9.864880      9.223028      4.710070
  C      -9.802931      7.790232      4.249788
  O     -10.816395      7.294453      3.667339
  C      -8.625947      6.991086      4.498790
  C      -7.466715      7.513656      5.128548
  C      -6.360346      6.735309      5.394219
  O      -5.241350      7.267090      5.991117
  C      -6.352744      5.339314      5.059950
  C      -5.295804      4.441431      5.378958
  O      -5.473429      3.158742      5.166842
  C      -3.936233      4.795874      5.931673
  C      -7.503908      4.824106      4.400522
  C      -8.607645      5.610063      4.113884
  O      -9.676767      5.061357      3.497303
  C     -11.997257      6.142699      6.646947
  C     -10.663094      6.448919      7.291249
  O     -10.452328      7.584331      7.722626
  C      -9.614243      5.388695      7.430857
  C      -8.461836      5.768408      8.136939
  C      -7.408276      4.892857      8.376163
  O      -6.335633      5.330214      9.070743
  C      -7.472162      3.568101      7.847885
  C      -6.319299      2.677776      8.009169
  O      -5.371603      3.007733      8.755183
  C      -6.231132      1.361410      7.220434
  C      -8.622708      3.187724      7.138770
  C      -9.686357      4.059411      6.927479
  O     -10.733825      3.530084      6.224346
  H       1.068891     -1.112048     -1.080455
  H       0.820146     -0.893305     -2.850545
  H      -0.027806     -2.189850     -1.928521
  H      -2.867073      1.301221     -1.151983
  H      -5.224234      1.152323      1.542741
  H      -4.894847     -1.017234      4.870933
  H      -3.489043     -1.912157      4.197160
  H      -2.241928     -2.024559      2.467347
  H      -0.536183     -2.765530      1.317234
  H      -9.846350      9.265455      5.810992
  H      -9.011429      9.808463      4.338018
  H     -10.797474      9.672648      4.351650
  H      -7.448768      8.564388      5.426141
  H      -5.441374      8.187505      6.240288
  H      -3.336972      5.280026      5.124520
  H      -4.005307      5.542566      6.739784
  H      -7.521892      3.771763      4.121961
  H     -10.334291      5.843226      3.412345
  H     -11.879580      6.001134      5.557043
  H     -12.467666      5.248347      7.082927
  H     -12.658915      7.004829      6.787556
  H      -8.407525      6.789204      8.514930
  H      -5.735182      4.519041      9.135572
  H      -6.854937      1.449258      6.323753
  H      -6.679520      0.563452      7.847567
  H      -8.707566      2.190851      6.708285
  H     -11.273459      4.241745      5.837787
  N      -3.356636      2.720591      3.752714
  N      -3.548046      3.411626      2.679012
  H      -3.254693      4.388326      2.632720
  H      -3.954228      2.968519      1.841346
96
Coordinates from ORCA-job orca E -6715.899797475494
  N      -3.114253      0.099329      4.730864
  Mo     -3.814050      1.956028      5.373947
  N      -4.880763      1.021161      6.835941
  C      -4.102720      0.410882      7.910941
  C      -2.666880      0.134999      7.479126
  N      -2.117376      1.282181      6.681865
  C      -1.056003      0.824609      5.746795
  C      -1.691150     -0.104254      4.689781
  C      -1.648782      2.381006      7.579305
  C      -1.966332      3.711169      6.923961
  N      -3.304879      3.577795      6.414635
  H      -1.240668      0.119760      3.699271
  H      -1.452088     -1.163908      4.909978
  H      -0.630538      1.721586      5.280034
  H      -0.255401      0.312898      6.309379
  H      -1.902083      4.521696      7.673120
  H      -1.233525      3.956639      6.122592
  H      -2.224193      2.306086      8.510476
  H      -0.579843      2.249760      7.809420
  H      -4.554340     -0.546727      8.242485
  H      -4.105441      1.080147      8.790128
  H      -2.621266     -0.755432      6.846575
  H      -2.021816     -0.029853      8.358653
  C       0.337170     -1.172344     -1.910906
  C      -0.784525     -0.196638     -1.663336
  O      -0.992649      0.717365     -2.459244
  C      -1.665770     -0.330898     -0.450760
  C      -2.732423      0.575613     -0.360585
  C      -3.629511      0.564578      0.701363
  O      -4.635346      1.477470      0.736128
  C      -3.456980     -0.373515      1.758652
  C      -4.396331     -0.359329      2.886782
  O      -5.447538      0.333774      2.824198
  C      -3.996149     -0.927861      4.230808
  C      -2.387091     -1.279578      1.670669
  C      -1.507074     -1.281389      0.590321
  O      -0.479519     -2.188131      0.534516
  C      -9.865325      9.222965      4.707525
  C      -9.805053      7.789778      4.248344
  O     -10.818789      7.296113      3.664548
  C      -8.629191      6.989058      4.499605
  C      -7.470112      7.511669      5.130249
  C      -6.363571      6.733344      5.396271
  O      -5.244776      7.265470      5.993231
  C      -6.355955      5.337217      5.062425
  C      -5.298301      4.439626      5.381124
  O      -5.475732      3.156980      5.170519
  C      -3.937289      4.794592      5.929949
  C      -7.507002      4.821801      4.403401
  C      -8.610433      5.607747      4.115513
  O      -9.678513      5.058191      3.497549
  C     -12.012074      6.136773      6.667735
  C     -10.672019      6.448777      7.296584
  O     -10.458441      7.587039      7.719891
  C      -9.619635      5.391087      7.430225
  C      -8.467044      5.771891      8.135428
  C      -7.412389      4.897406      8.373528
  O      -6.341574      5.334219      9.070865
  C      -7.473954      3.573171      7.843507
  C      -6.322203      2.683066      8.010508
  O      -5.373043      3.017880      8.753045
  C      -6.231974      1.362012      7.230318
  C      -8.623248      3.193024      7.131482
  C      -9.688518      4.063244      6.922572
  O     -10.736133      3.533557      6.218800
  H       1.073059     -1.131667     -1.094874
  H       0.814605     -0.920957     -2.864392
  H      -0.038145     -2.205418     -1.929500
  H      -2.851289      1.305991     -1.161778
  H      -5.213355      1.167856      1.527569
  H      -4.897716     -1.016381      4.859183
  H      -3.490018     -1.908057      4.183810
  H      -2.239674     -2.013090      2.466718
  H      -0.538372     -2.764882      1.317697
  H      -9.846986      9.266898      5.808309
  H      -9.010784      9.806795      4.335163
  H     -10.797308      9.673523      4.348480
  H      -7.452657      8.562279      5.428697
  H      -5.443255      8.187513      6.237834
  H      -3.335856      5.268946      5.118296
  H      -4.001331      5.547188      6.732661
  H      -7.524839      3.769340      4.124844
  H     -10.334897      5.840490      3.408338
  H     -11.905578      5.996535      5.576432
  H     -12.473291      5.239194      7.106709
  H     -12.675531      6.996204      6.816524
  H      -8.414273      6.791992      8.515822
  H      -5.738952      4.524312      9.132818
  H      -6.857480      1.437454      6.333674
  H      -6.675592      0.567923      7.865953
  H      -8.706139      2.197156      6.698158
  H     -11.267327      4.244693      5.819403
  N      -3.347144      2.724318      3.765426
  N      -3.526958      3.419805      2.694274
  H      -3.263265      4.405923      2.665258
  H      -3.922297      2.977149      1.850566
96
Coordinates from ORCA-job orca E -6715.899835370252
  N      -3.108436      0.100822      4.734189
  Mo     -3.807087      1.958392      5.379475
  N      -4.874957      1.026545      6.842596
  C      -4.096544      0.421030      7.920260
  C      -2.662590      0.138783      7.486266
  N      -2.110459      1.282928      6.686320
  C      -1.049568      0.821593      5.752593
  C      -1.685822     -0.109808      4.698749
  C      -1.639766      2.382585      7.582115
  C      -1.957780      3.711796      6.926031
  N      -3.299075      3.580235      6.423902
  H      -1.230937      0.106230      3.708548
  H      -1.452999     -1.169580      4.925724
  H      -0.623048      1.716799      5.283351
  H      -0.249538      0.310540      6.316714
  H      -1.887775      4.523625      7.673461
  H      -1.228064      3.954228      6.120696
  H      -2.213490      2.308844      8.514496
  H      -0.570510      2.251013      7.810641
  H      -4.549740     -0.533435      8.258638
  H      -4.095906      1.095285      8.795708
  H      -2.622780     -0.752158      6.853986
  H      -2.015978     -0.028515      8.364253
  C       0.312194     -1.182986     -1.929853
  C      -0.799282     -0.198190     -1.671757
  O      -1.001638      0.722885     -2.461142
  C      -1.676020     -0.330578     -0.455595
  C      -2.735763      0.583544     -0.357062
  C      -3.628238      0.574388      0.708717
  O      -4.627511      1.494397      0.752894
  C      -3.458058     -0.368941      1.761265
  C      -4.393198     -0.351056      2.892626
  O      -5.438854      0.350643      2.834513
  C      -3.992587     -0.925062      4.233874
  C      -2.395677     -1.283149      1.664845
  C      -1.519975     -1.286670      0.580717
  O      -0.498786     -2.200299      0.517278
  C      -9.865339      9.221357      4.709204
  C      -9.798663      7.789841      4.245749
  O     -10.807348      7.295422      3.653850
  C      -8.622297      6.990857      4.500694
  C      -7.466942      7.513450      5.138255
  C      -6.359968      6.736049      5.406441
  O      -5.244334      7.268440      6.009189
  C      -6.348951      5.340770      5.068513
  C      -5.291181      4.443114      5.387845
  O      -5.467281      3.161219      5.172507
  C      -3.931017      4.797420      5.939701
  C      -7.496490      4.825626      4.403068
  C      -8.600021      5.610806      4.113114
  O      -9.665723      5.061471      3.490491
  C     -12.022179      6.120112      6.649835
  C     -10.685699      6.437646      7.283059
  O     -10.478254      7.576589      7.707811
  C      -9.629682      5.384041      7.420097
  C      -8.480283      5.769460      8.127763
  C      -7.422872      4.898951      8.368496
  O      -6.355009      5.341012      9.066692
  C      -7.478611      3.573443      7.839828
  C      -6.324485      2.687324      8.009966
  O      -5.378379      3.024995      8.755399
  C      -6.228386      1.364610      7.233350
  C      -8.624901      3.189082      7.124993
  C      -9.692507      4.055626      6.912962
  O     -10.737365      3.521970      6.207404
  H       1.053369     -1.151713     -1.118059
  H       0.786275     -0.932097     -2.885203
  H      -0.072185     -2.212776     -1.949890
  H      -2.852671      1.317931     -1.154952
  H      -5.204172      1.183780      1.544666
  H      -4.893246     -1.014306      4.863660
  H      -3.487590     -1.905677      4.184419
  H      -2.250993     -2.021773      2.456728
  H      -0.559403     -2.780566      1.297731
  H      -9.853205      9.262004      5.810177
  H      -9.010205      9.808705      4.343447
  H     -10.796567      9.670550      4.346386
  H      -7.452533      8.563243      5.439998
  H      -5.444968      8.189911      6.254373
  H      -3.328163      5.273323      5.129913
  H      -3.996637      5.548934      6.743436
  H      -7.511747      3.773865      4.121467
  H     -10.323473      5.842893      3.402858
  H     -11.911799      5.988924      5.557749
  H     -12.477217      5.215177      7.080008
  H     -12.692168      6.973693      6.803320
  H      -8.431674      6.790265      8.507023
  H      -5.748236      4.533646      9.128908
  H      -6.852738      1.434010      6.335318
  H      -6.670534      0.571129      7.870829
  H      -8.703049      2.192923      6.691175
  H     -11.263706      4.230783      5.797404
  N      -3.335037      2.728831      3.775076
  N      -3.509800      3.426670      2.703858
  H      -3.258336      4.416066      2.681437
  H      -3.910245      2.987644      1.861121
96
Coordinates from ORCA-job orca E -6715.899875805893
  N      -3.110019      0.100100      4.737641
  Mo     -3.802996      1.959475      5.385611
  N      -4.866245      1.031076      6.854157
  C      -4.082916      0.434837      7.933641
  C      -2.652700      0.144491      7.492296
  N      -2.100899      1.283602      6.684586
  C      -1.045540      0.815065      5.748155
  C      -1.688758     -0.122618      4.705007
  C      -1.621687      2.385084      7.574194
  C      -1.945067      3.712508      6.917644
  N      -3.292933      3.581495      6.434215
  H      -1.230808      0.077310      3.712983
  H      -1.465422     -1.181835      4.944524
  H      -0.621226      1.706806      5.270384
  H      -0.242616      0.307358      6.311091
  H      -1.863594      4.526822      7.661433
  H      -1.224985      3.951052      6.102313
  H      -2.186822      2.313678      8.511972
  H      -0.550612      2.253352      7.793583
  H      -4.535729     -0.515089      8.284806
  H      -4.075742      1.117619      8.802479
  H      -2.623589     -0.748043      6.861477
  H      -2.000407     -0.024334      8.365567
  C       0.290498     -1.181954     -1.933275
  C      -0.815646     -0.192526     -1.669756
  O      -1.014721      0.732408     -2.455574
  C      -1.691018     -0.325155     -0.452718
  C      -2.748981      0.590852     -0.351405
  C      -3.640346      0.581751      0.715381
  O      -4.636215      1.504697      0.763381
  C      -3.471003     -0.363878      1.765874
  C      -4.401863     -0.343107      2.899890
  O      -5.445094      0.362702      2.846368
  C      -4.000341     -0.921940      4.238492
  C      -2.409896     -1.279807      1.666806
  C      -1.535071     -1.282784      0.582026
  O      -0.514257     -2.196897      0.516937
  C      -9.856994      9.225129      4.714947
  C      -9.787916      7.795213      4.247523
  O     -10.794432      7.301332      3.651729
  C      -8.611691      6.996160      4.503632
  C      -7.457889      7.517891      5.144414
  C      -6.351561      6.740033      5.414762
  O      -5.237498      7.271733      6.020777
  C      -6.340496      5.344961      5.076209
  C      -5.283574      4.445950      5.395567
  O      -5.461377      3.164804      5.179481
  C      -3.921975      4.798297      5.945896
  C      -7.487018      4.830509      4.408448
  C      -8.589689      5.616192      4.116483
  O      -9.654939      5.067107      3.492583
  C     -12.031140      6.096480      6.620318
  C     -10.699990      6.419573      7.261015
  O     -10.501013      7.558133      7.690352
  C      -9.640017      5.370625      7.403292
  C      -8.496980      5.760616      8.118070
  C      -7.437292      4.894525      8.364935
  O      -6.375530      5.342204      9.068164
  C      -7.484683      3.567982      7.837162
  C      -6.327635      2.687225      8.013486
  O      -5.387216      3.029457      8.763759
  C      -6.222340      1.361822      7.242816
  C      -8.624726      3.179424      7.114772
  C      -9.693644      4.042225      6.894837
  O     -10.731196      3.505605      6.180224
  H       1.035489     -1.153031     -1.124906
  H       0.761350     -0.932884     -2.890655
  H      -0.097819     -2.210270     -1.951159
  H      -2.864785      1.327032     -1.147758
  H      -5.210767      1.197390      1.557114
  H      -4.899557     -1.010408      4.870826
  H      -3.498833     -1.903866      4.185991
  H      -2.266099     -2.020882      2.456516
  H      -0.575541     -2.779095      1.295838
  H      -9.846594      9.262171      5.816048
  H      -9.001954      9.814511      4.352158
  H     -10.788186      9.674267      4.352071
  H      -7.443947      8.567521      5.446643
  H      -5.437854      8.193731      6.264120
  H      -3.318502      5.270715      5.134384
  H      -3.985870      5.553192      6.746806
  H      -7.502323      3.778830      4.126702
  H     -10.311791      5.849188      3.402614
  H     -11.913681      5.976920      5.527713
  H     -12.479898      5.183084      7.038562
  H     -12.708683      6.943212      6.778403
  H      -8.454696      6.781617      8.497431
  H      -5.765472      4.537124      9.134799
  H      -6.847112      1.421230      6.344260
  H      -6.659432      0.568677      7.884150
  H      -8.695705      2.183580      6.678932
  H     -11.246168      4.212327      5.752626
  N      -3.327180      2.734045      3.784753
  N      -3.492594      3.433358      2.711713
  H      -3.251476      4.425237      2.694975
  H      -3.901661      2.999493      1.871183
96
Coordinates from ORCA-job orca E -6715.899905877302
  N      -3.110292      0.099468      4.744101
  Mo     -3.798872      1.959462      5.395680
  N      -4.855353      1.033113      6.869393
  C      -4.065282      0.451236      7.951875
  C      -2.639821      0.151790      7.501809
  N      -2.089366      1.285433      6.684612
  C      -1.040856      0.809059      5.744104
  C      -1.691331     -0.138932      4.716613
  C      -1.599852      2.389761      7.566054
  C      -1.934016      3.714766      6.910171
  N      -3.290392      3.582036      6.451976
  H      -1.228474      0.037893      3.722521
  H      -1.480696     -1.196602      4.974735
  H      -0.623006      1.697053      5.253785
  H      -0.232037      0.308616      6.304902
  H      -1.838840      4.532043      7.649335
  H      -1.228086      3.950346      6.081481
  H      -2.152133      2.319508      8.511458
  H      -0.525920      2.259538      7.771598
  H      -4.516679     -0.492575      8.320541
  H      -4.050816      1.146419      8.810824
  H      -2.623617     -0.742513      6.872776
  H      -1.980497     -0.018221      8.369214
  C       0.258190     -1.184021     -1.942780
  C      -0.833956     -0.182447     -1.667112
  O      -1.022852      0.752191     -2.443931
  C      -1.708026     -0.314731     -0.449014
  C      -2.757701      0.609781     -0.340305
  C      -3.647428      0.602079      0.728000
  O      -4.633683      1.534159      0.783973
  C      -3.484576     -0.351596      1.772294
  C      -4.409660     -0.326382      2.910077
  O      -5.444230      0.393174      2.866808
  C      -4.008683     -0.915798      4.243746
  C      -2.430930     -1.275749      1.665968
  C      -1.557934     -1.279382      0.579875
  O      -0.543648     -2.200444      0.508111
  C      -9.852083      9.222957      4.706866
  C      -9.778734      7.794298      4.237031
  O     -10.779458      7.301575      3.630614
  C      -8.603778      6.995348      4.499799
  C      -7.454940      7.516455      5.149606
  C      -6.350165      6.738623      5.426744
  O      -5.240867      7.269400      6.042054
  C      -6.336386      5.344236      5.086240
  C      -5.279699      4.445339      5.407460
  O      -5.456870      3.164584      5.189643
  C      -3.918051      4.797413      5.958243
  C      -7.478763      4.829821      4.411216
  C      -8.579560      5.615602      4.112495
  O      -9.640790      5.067008      3.481039
  C     -12.034785      6.076409      6.594965
  C     -10.709647      6.402329      7.245523
  O     -10.515026      7.541821      7.674113
  C      -9.644883      5.357949      7.387691
  C      -8.508266      5.749496      8.111103
  C      -7.447449      4.885918      8.362647
  O      -6.391390      5.335874      9.072254
  C      -7.488173      3.559403      7.833674
  C      -6.331019      2.681558      8.020239
  O      -5.396216      3.028741      8.775361
  C      -6.214653      1.354075      7.255193
  C      -8.621125      3.170287      7.100372
  C      -9.689300      4.031710      6.872508
  O     -10.718645      3.496548      6.143937
  H       1.009438     -1.165867     -1.139883
  H       0.725034     -0.936746     -2.902548
  H      -0.141759     -2.207791     -1.960890
  H      -2.867693      1.351971     -1.131876
  H      -5.207972      1.231345      1.578922
  H      -4.906380     -1.003492      4.878522
  H      -3.512782     -1.899951      4.185483
  H      -2.292732     -2.024169      2.449708
  H      -0.609391     -2.788021      1.282584
  H      -9.849234      9.256880      5.808098
  H      -8.995058      9.813807      4.351234
  H     -10.781136      9.672216      4.338781
  H      -7.443340      8.565828      5.452766
  H      -5.442381      8.191740      6.283096
  H      -3.313422      5.267117      5.145858
  H      -3.982594      5.556068      6.755723
  H      -7.491870      3.778540      4.128069
  H     -10.295009      5.851011      3.383792
  H     -11.908140      5.970845      5.501987
  H     -12.478349      5.153995      6.997769
  H     -12.719161      6.916623      6.758137
  H      -8.471816      6.769324      8.494081
  H      -5.778714      4.532133      9.139767
  H      -6.839318      1.401802      6.355732
  H      -6.645449      0.560612      7.900324
  H      -8.685985      2.175898      6.660310
  H     -11.212619      4.203040      5.691762
  N      -3.317166      2.741152      3.799879
  N      -3.470688      3.441303      2.724691
  H      -3.255755      4.439337      2.718427
  H      -3.889543      3.012539      1.886484
96
Coordinates from ORCA-job orca E -6715.899923500209
  N      -3.107843      0.102701      4.749218
  Mo     -3.794174      1.962862      5.403238
  N      -4.847242      1.035915      6.878778
  C      -4.053700      0.461009      7.962089
  C      -2.630563      0.157904      7.508005
  N      -2.081001      1.289505      6.686870
  C      -1.036332      0.810382      5.743067
  C      -1.690366     -0.142425      4.723347
  C      -1.585771      2.394349      7.564885
  C      -1.926210      3.718896      6.911359
  N      -3.286201      3.585090      6.463733
  H      -1.225859      0.023546      3.727994
  H      -1.484825     -1.199036      4.990188
  H      -0.622996      1.697107      5.246624
  H      -0.223676      0.313838      6.301681
  H      -1.825381      4.536538      7.649409
  H      -1.227061      3.954719      6.077013
  H      -2.130866      2.323309      8.514337
  H      -0.510264      2.264755      7.762285
  H      -4.504099     -0.480127      8.338685
  H      -4.035982      1.162167      8.816202
  H      -2.619673     -0.737217      6.880115
  H      -1.968178     -0.011912      8.372990
  C       0.232672     -1.191238     -1.953046
  C      -0.854849     -0.185803     -1.673314
  O      -1.043922      0.748900     -2.449907
  C      -1.724819     -0.314722     -0.451836
  C      -2.772271      0.611758     -0.340924
  C      -3.658432      0.607428      0.730510
  O      -4.643027      1.540562      0.787290
  C      -3.493701     -0.345195      1.775810
  C      -4.413779     -0.316713      2.917452
  O      -5.447311      0.404924      2.879305
  C      -4.010362     -0.908968      4.249146
  C      -2.441879     -1.271215      1.667131
  C      -1.572791     -1.278022      0.578112
  O      -0.560067     -2.200651      0.504208
  C      -9.844859      9.227779      4.711874
  C      -9.770150      7.800523      4.238063
  O     -10.769311      7.309341      3.627765
  C      -8.597148      6.999988      4.504628
  C      -7.450988      7.519248      5.160360
  C      -6.347939      6.740392      5.440886
  O      -5.242040      7.268904      6.063999
  C      -6.332828      5.346997      5.096872
  C      -5.276495      4.447858      5.418869
  O      -5.452691      3.167126      5.199037
  C      -3.915698      4.800112      5.970814
  C      -7.472728      4.834123      4.416465
  C      -8.572081      5.620842      4.114969
  O      -9.631577      5.073499      3.479298
  C     -12.035671      6.056694      6.560331
  C     -10.715326      6.387454      7.217806
  O     -10.529617      7.525466      7.654078
  C      -9.648484      5.345990      7.367715
  C      -8.518438      5.739999      8.099991
  C      -7.457301      4.878860      8.359256
  O      -6.407123      5.331288      9.075932
  C      -7.491435      3.552126      7.830571
  C      -6.333212      2.677680      8.025307
  O      -5.402537      3.029338      8.783748
  C      -6.208401      1.349576      7.263013
  C      -8.618489      3.160300      7.089442
  C      -9.686097      4.019712      6.852470
  O     -10.709067      3.483115      6.115480
  H       0.989145     -1.172162     -1.155046
  H       0.694071     -0.948007     -2.916477
  H      -0.169772     -2.214056     -1.965161
  H      -2.883616      1.352899     -1.133306
  H      -5.215060      1.241453      1.585174
  H      -4.906520     -0.995541      4.886135
  H      -3.517452     -1.894520      4.188208
  H      -2.302044     -2.018830      2.451349
  H      -0.624520     -2.787528      1.279355
  H      -9.845923      9.258200      5.813280
  H      -8.986450      9.819450      4.361111
  H     -10.772473      9.678441      4.341884
  H      -7.440304      8.567985      5.465781
  H      -5.444423      8.190746      6.306252
  H      -3.311384      5.271793      5.159331
  H      -3.981879      5.558245      6.768591
  H      -7.484985      3.783398      4.131206
  H     -10.284923      5.858395      3.380757
  H     -11.903092      5.961036      5.467167
  H     -12.473529      5.127332      6.952808
  H     -12.726707      6.890713      6.727217
  H      -8.487269      6.759759      8.483618
  H      -5.793615      4.528484      9.148469
  H      -6.832494      1.390934      6.362840
  H      -6.635012      0.554933      7.909516
  H      -8.678304      2.165702      6.649253
  H     -11.190394      4.187979      5.647101
  N      -3.309843      2.747908      3.810665
  N      -3.457393      3.449183      2.735681
  H      -3.244842      4.447940      2.732619
  H      -3.871523      3.021887      1.894220
96
Coordinates from ORCA-job orca E -6715.899939260602
  N      -3.109358      0.104175      4.749252
  Mo     -3.792831      1.964617      5.404552
  N      -4.843272      1.038782      6.882304
  C      -4.046640      0.469516      7.965729
  C      -2.625694      0.162361      7.508218
  N      -2.076513      1.291475      6.683593
  C      -1.035743      0.809756      5.736636
  C      -1.693392     -0.147000      4.723980
  C      -1.575479      2.396522      7.557884
  C      -1.921002      3.720909      6.906534
  N      -3.283860      3.586615      6.466808
  H      -1.228560      0.010224      3.727207
  H      -1.491430     -1.202587      4.997754
  H      -0.626679      1.695212      5.234456
  H      -0.219507      0.316378      6.292744
  H      -1.815475      4.538694      7.643640
  H      -1.227611      3.956666      6.067468
  H      -2.113822      2.325332      8.511142
  H      -0.498593      2.267292      7.747431
  H      -4.496808     -0.468877      8.349481
  H      -4.024972      1.176134      8.815248
  H      -2.618780     -0.734099      6.882448
  H      -1.961365     -0.006420      8.371879
  C       0.225050     -1.200702     -1.953343
  C      -0.857968     -0.190610     -1.673180
  O      -1.043515      0.744905     -2.449556
  C      -1.728161     -0.316656     -0.451806
  C      -2.772777      0.612878     -0.340761
  C      -3.658553      0.611370      0.730897
  O      -4.640440      1.547370      0.787791
  C      -3.496561     -0.341621      1.776278
  C      -4.416889     -0.310698      2.917507
  O      -5.449426      0.412712      2.879256
  C      -4.015705     -0.903838      4.249555
  C      -2.447253     -1.270332      1.667829
  C      -1.578631     -1.280036      0.578579
  O      -0.568604     -2.205290      0.504683
  C      -9.845267      9.227815      4.713707
  C      -9.767339      7.802247      4.235386
  O     -10.763576      7.312280      3.619590
  C      -8.595140      7.001600      4.505130
  C      -7.451725      7.519995      5.166287
  C      -6.349358      6.741150      5.449205
  O      -5.247230      7.268677      6.079447
  C      -6.331783      5.348770      5.101219
  C      -5.275760      4.449459      5.424106
  O      -5.451439      3.168959      5.202964
  C      -3.915847      4.801781      5.976688
  C      -7.469029      4.836831      4.415867
  C      -8.567717      5.623487      4.112375
  O      -9.625133      5.076676      3.472412
  C     -12.037879      6.049244      6.551846
  C     -10.719979      6.380942      7.213707
  O     -10.537804      7.517733      7.654765
  C      -9.651301      5.341074      7.363959
  C      -8.526374      5.734181      8.104384
  C      -7.464753      4.874285      8.366146
  O      -6.420229      5.325826      9.091482
  C      -7.492928      3.549948      7.831625
  C      -6.333338      2.677615      8.028610
  O      -5.407380      3.028196      8.793342
  C      -6.204802      1.349095      7.267398
  C      -8.615370      3.158785      7.083058
  C      -9.682942      4.017108      6.842720
  O     -10.700298      3.482287      6.096335
  H       0.983080     -1.182694     -1.156811
  H       0.685651     -0.960724     -2.917937
  H      -0.181049     -2.221990     -1.962872
  H      -2.882241      1.354360     -1.133034
  H      -5.213550      1.249831      1.585514
  H      -4.911924     -0.986858      4.886824
  H      -3.526452     -1.891241      4.188352
  H      -2.308622     -2.017270      2.452879
  H      -0.634421     -2.791988      1.279834
  H      -9.852178      9.253925      5.815124
  H      -8.985440      9.821132      4.369592
  H     -10.771165      9.679375      4.340618
  H      -7.443013      8.567832      5.474612
  H      -5.451608      8.189407      6.324159
  H      -3.312329      5.275917      5.166041
  H      -3.982888      5.558184      6.775824
  H      -7.479593      3.786776      4.128146
  H     -10.277625      5.861886      3.371210
  H     -11.902921      5.962799      5.458358
  H     -12.471710      5.114599      6.935514
  H     -12.732634      6.879035      6.724130
  H      -8.499969      6.751971      8.493508
  H      -5.805850      4.524089      9.165543
  H      -6.829362      1.387344      6.367477
  H      -6.628559      0.553842      7.915141
  H      -8.670931      2.165924      6.638603
  H     -11.169794      4.187169      5.615950
  N      -3.307758      2.751331      3.812594
  N      -3.453499      3.453271      2.738786
  H      -3.241415      4.452287      2.737959
  H      -3.864747      3.026702      1.895172
96
Coordinates from ORCA-job orca E -6715.899970602320
  N      -3.116282      0.110432      4.754323
  Mo     -3.793422      1.967641      5.422288
  N      -4.828324      1.037590      6.908652
  C      -4.015773      0.488811      7.989658
  C      -2.603095      0.172384      7.515042
  N      -2.060895      1.296546      6.679195
  C      -1.034603      0.811185      5.717499
  C      -1.704453     -0.157658      4.727654
  C      -1.541861      2.402743      7.541278
  C      -1.909972      3.725983      6.900069
  N      -3.283944      3.587689      6.494957
  H      -1.240882     -0.026431      3.726159
  H      -1.511957     -1.209991      5.021553
  H      -0.643326      1.694800      5.198162
  H      -0.203854      0.328870      6.261627
  H      -1.786833      4.544266      7.633798
  H      -1.240371      3.963191      6.042170
  H      -2.054121      2.328381      8.508595
  H      -0.459855      2.277723      7.701319
  H      -4.460622     -0.441769      8.398164
  H      -3.979819      1.212339      8.824565
  H      -2.609190     -0.727038      6.893831
  H      -1.928667      0.006006      8.371306
  C       0.184755     -1.215314     -1.963189
  C      -0.878858     -0.187806     -1.672220
  O      -1.049244      0.757315     -2.440350
  C      -1.748229     -0.308462     -0.449962
  C      -2.780699      0.633690     -0.332155
  C      -3.663937      0.638124      0.741410
  O      -4.634252      1.586045      0.805520
  C      -3.511967     -0.321721      1.781930
  C      -4.430828     -0.285171      2.923704
  O      -5.455979      0.449802      2.890032
  C      -4.034650     -0.885839      4.253937
  C      -2.474263     -1.262421      1.667681
  C      -1.608507     -1.278264      0.576285
  O      -0.610030     -2.214897      0.496220
  C      -9.836064      9.234315      4.694166
  C      -9.754599      7.808341      4.217543
  O     -10.741997      7.321464      3.585420
  C      -8.588621      7.004782      4.505034
  C      -7.451764      7.521564      5.178901
  C      -6.354298      6.740834      5.475189
  O      -5.260708      7.266738      6.120908
  C      -6.334028      5.348552      5.126052
  C      -5.279965      4.448844      5.454777
  O      -5.455761      3.167789      5.235486
  C      -3.919791      4.801434      6.003573
  C      -7.465714      4.837885      4.430630
  C      -8.559765      5.626022      4.115435
  O      -9.613464      5.079916      3.467372
  C     -12.028237      6.020697      6.498075
  C     -10.718083      6.356941      7.172288
  O     -10.543178      7.493591      7.616675
  C      -9.647322      5.319533      7.334223
  C      -8.536174      5.713381      8.094124
  C      -7.477077      4.855104      8.372663
  O      -6.445377      5.308349      9.114708
  C      -7.494580      3.531317      7.837359
  C      -6.336496      2.661044      8.054563
  O      -5.423704      3.015048      8.833359
  C      -6.192121      1.330747      7.299051
  C      -8.603651      3.139505      7.069178
  C      -9.666782      3.997159      6.809058
  O     -10.669940      3.464105      6.041053
  H       0.949557     -1.209882     -1.172816
  H       0.641755     -0.980640     -2.930834
  H      -0.237174     -2.230036     -1.970772
  H      -2.882782      1.380678     -1.120268
  H      -5.210580      1.289874      1.601864
  H      -4.930170     -0.960082      4.893092
  H      -3.556599     -1.878676      4.188840
  H      -2.341707     -2.012709      2.450714
  H      -0.681446     -2.804779      1.268484
  H      -9.860665      9.259711      5.795290
  H      -8.969165      9.825218      4.364071
  H     -10.754541      9.688740      4.306497
  H      -7.444747      8.569532      5.486801
  H      -5.467277      8.187369      6.364178
  H      -3.318409      5.272666      5.189263
  H      -3.983834      5.560474      6.800089
  H      -7.474728      3.787611      4.143353
  H     -10.259345      5.868757      3.350807
  H     -11.885121      5.952096      5.404675
  H     -12.452599      5.074533      6.862334
  H     -12.732254      6.840971      6.678358
  H      -8.518707      6.730157      8.486560
  H      -5.830004      4.508734      9.197736
  H      -6.820600      1.353706      6.401445
  H      -6.600837      0.533137      7.953755
  H      -8.650692      2.147150      6.622755
  H     -11.096205      4.164179      5.514872
  N      -3.309793      2.766731      3.836266
  N      -3.452737      3.474803      2.767873
  H      -3.258109      4.477624      2.780377
  H      -3.855476      3.051975      1.917462
96
Coordinates from ORCA-job orca E -6715.900046882517
  N      -3.118988      0.119831      4.759753
  Mo     -3.788203      1.975359      5.438525
  N      -4.809060      1.044446      6.933379
  C      -3.981217      0.520773      8.014277
  C      -2.577816      0.190207      7.523651
  N      -2.040487      1.306431      6.673914
  C      -1.029292      0.813648      5.699073
  C      -1.712122     -0.169116      4.735457
  C      -1.501689      2.414677      7.521316
  C      -1.892354      3.735978      6.889672
  N      -3.277000      3.593694      6.521526
  H      -1.248020     -0.069787      3.730223
  H      -1.532220     -1.216841      5.054416
  H      -0.655722      1.693370      5.160389
  H      -0.184574      0.343225      6.231898
  H      -1.750147      4.555830      7.618117
  H      -1.248301      3.972884      6.012207
  H      -1.985589      2.338587      8.503042
  H      -0.415219      2.293520      7.649951
  H      -4.421513     -0.398347      8.452657
  H      -3.929797      1.265493      8.829798
  H      -2.599509     -0.713505      6.909260
  H      -1.893593      0.026378      8.372560
  C       0.133422     -1.246311     -1.978378
  C      -0.906088     -0.197802     -1.675285
  O      -1.058348      0.757160     -2.434976
  C      -1.772932     -0.309134     -0.450549
  C      -2.790008      0.648704     -0.325343
  C      -3.669112      0.662763      0.751395
  O      -4.624737      1.625307      0.822841
  C      -3.528495     -0.303138      1.787962
  C      -4.443343     -0.256940      2.932076
  O      -5.458739      0.492405      2.904141
  C      -4.051029     -0.864123      4.260529
  C      -2.505868     -1.259257      1.666921
  C      -1.644691     -1.284803      0.572108
  O      -0.660995     -2.235845      0.485213
  C      -9.829739      9.240723      4.690244
  C      -9.739636      7.817449      4.206986
  O     -10.715601      7.334287      3.554778
  C      -8.578755      7.012027      4.510124
  C      -7.451888      7.525543      5.203223
  C      -6.358874      6.743221      5.511878
  O      -5.277782      7.264865      6.181040
  C      -6.331782      5.353459      5.153066
  C      -5.279053      4.453569      5.486386
  O      -5.452415      3.172968      5.262745
  C      -3.920893      4.806878      6.036450
  C      -7.454382      4.845771      4.441091
  C      -8.544577      5.634866      4.116095
  O      -9.592151      5.090446      3.455052
  C     -12.027296      5.982043      6.438477
  C     -10.727878      6.324675      7.129170
  O     -10.566029      7.459358      7.583481
  C      -9.651427      5.293320      7.300265
  C      -8.560757      5.686096      8.089075
  C      -7.502879      4.831323      8.384044
  O      -6.490776      5.284758      9.151999
  C      -7.501545      3.511574      7.839051
  C      -6.343900      2.645963      8.077882
  O      -5.448586      3.002897      8.875681
  C      -6.177012      1.316791      7.324876
  C      -8.590385      3.121441      7.041048
  C      -9.649527      3.977040      6.760387
  O     -10.630324      3.449663      5.958441
  H       0.906451     -1.255455     -1.195902
  H       0.585506     -1.019211     -2.950174
  H      -0.307640     -2.252745     -1.982074
  H      -2.883569      1.400496     -1.109977
  H      -5.204385      1.333039      1.618597
  H      -4.945121     -0.928343      4.902647
  H      -3.585555     -1.862874      4.191978
  H      -2.381176     -2.013122      2.447899
  H      -0.739136     -2.828322      1.254862
  H      -9.876001      9.258796      5.790726
  H      -8.956328      9.833246      4.381005
  H     -10.740308      9.698161      4.287732
  H      -7.450078      8.571610      5.517595
  H      -5.489436      8.183089      6.428992
  H      -3.322016      5.284278      5.223644
  H      -3.986678      5.562267      6.836141
  H      -7.458822      3.796887      4.148345
  H     -10.232521      5.882069      3.325655
  H     -11.875353      5.946123      5.345077
  H     -12.433947      5.016980      6.770298
  H     -12.746795      6.784727      6.636334
  H      -8.558653      6.698754      8.492558
  H      -5.871605      4.489071      9.241586
  H      -6.806018      1.324050      6.427449
  H      -6.570824      0.514890      7.983592
  H      -8.622110      2.133338      6.584115
  H     -10.998728      4.143758      5.382158
  N      -3.302615      2.783852      3.857568
  N      -3.437743      3.496072      2.792499
  H      -3.257531      4.501719      2.816125
  H      -3.835083      3.077462      1.936886
96
Coordinates from ORCA-job orca E -6715.900136093129
  N      -3.107909      0.128788      4.760707
  Mo     -3.780001      1.986499      5.432736
  N      -4.806343      1.055364      6.924069
  C      -3.981551      0.526933      8.005790
  C      -2.573649      0.201563      7.523155
  N      -2.035451      1.319372      6.676487
  C      -1.019525      0.828976      5.705655
  C      -1.698399     -0.148114      4.731860
  C      -1.503708      2.427108      7.528842
  C      -1.888232      3.748971      6.895849
  N      -3.266475      3.604812      6.507500
  H      -1.238071     -0.033190      3.726871
  H      -1.508449     -1.197492      5.038924
  H      -0.639010      1.710131      5.174176
  H      -0.180219      0.353636      6.242521
  H      -1.759056      4.566929      7.628664
  H      -1.233136      3.989854      6.027954
  H      -1.994827      2.349978      8.506966
  H      -0.418173      2.306663      7.665781
  H      -4.422049     -0.394871      8.437457
  H      -3.935374      1.268378      8.824723
  H      -2.585721     -0.703365      6.910005
  H      -1.894741      0.041354      8.376973
  C       0.121552     -1.275595     -1.989178
  C      -0.919915     -0.228445     -1.688115
  O      -1.081495      0.718626     -2.455545
  C      -1.780260     -0.333290     -0.458159
  C      -2.799295      0.622648     -0.334892
  C      -3.674198      0.641505      0.745377
  O      -4.633497      1.600258      0.813081
  C      -3.525374     -0.316619      1.788233
  C      -4.435708     -0.266137      2.936395
  O      -5.455018      0.476402      2.905264
  C      -4.034812     -0.862649      4.267615
  C      -2.501335     -1.271408      1.668258
  C      -1.645106     -1.302124      0.569738
  O      -0.660283     -2.252367      0.483661
  C      -9.825599      9.254789      4.720277
  C      -9.730291      7.838856      4.217394
  O     -10.700859      7.362997      3.552078
  C      -8.570155      7.031249      4.516767
  C      -7.447909      7.536769      5.222333
  C      -6.356843      6.750941      5.528064
  O      -5.278993      7.264194      6.209009
  C      -6.327332      5.365411      5.154123
  C      -5.274577      4.464387      5.483970
  O      -5.444534      3.184356      5.254127
  C      -3.918433      4.819426      6.038516
  C      -7.446182      4.865025      4.430659
  C      -8.534229      5.658472      4.108693
  O      -9.580544      5.122284      3.437636
  C     -12.038771      5.960093      6.430251
  C     -10.743985      6.308001      7.126932
  O     -10.590544      7.442042      7.585450
  C      -9.662982      5.281715      7.299269
  C      -8.583628      5.671857      8.105111
  C      -7.524177      4.819807      8.402198
  O      -6.522636      5.271780      9.185107
  C      -7.509796      3.505144      7.843951
  C      -6.350740      2.641955      8.082381
  O      -5.463445      2.990951      8.892876
  C      -6.175889      1.323553      7.312847
  C      -8.586754      3.118823      7.028208
  C      -9.646428      3.971981      6.743602
  O     -10.609790      3.451746      5.916436
  H       0.895885     -1.281362     -1.208152
  H       0.571310     -1.051077     -2.962567
  H      -0.317886     -2.282767     -1.989233
  H      -2.899153      1.368222     -1.124501
  H      -5.210117      1.309461      1.611381
  H      -4.927630     -0.928867      4.911540
  H      -3.564471     -1.859216      4.203055
  H      -2.372518     -2.020845      2.452476
  H      -0.732701     -2.839143      1.258131
  H      -9.883717      9.256576      5.820616
  H      -8.949057      9.851867      4.429381
  H     -10.731975      9.717773      4.314804
  H      -7.447992      8.579001      5.548866
  H      -5.493235      8.178143      6.469906
  H      -3.323077      5.312722      5.233043
  H      -3.989496      5.562860      6.849127
  H      -7.449058      3.819548      4.126355
  H     -10.215564      5.918532      3.307345
  H     -11.884716      5.930952      5.337232
  H     -12.437972      4.989589      6.755659
  H     -12.765223      6.755540      6.632029
  H      -8.591437      6.680202      8.518889
  H      -5.899006      4.478982      9.272801
  H      -6.800277      1.343434      6.412621
  H      -6.572543      0.513432      7.959323
  H      -8.606565      2.137024      6.557660
  H     -10.961460      4.151296      5.335714
  N      -3.305200      2.784813      3.843810
  N      -3.453107      3.493696      2.777588
  H      -3.239735      4.492671      2.786003
  H      -3.854508      3.072653      1.926122
96
Coordinates from ORCA-job orca E -6715.900207750557
  N      -3.103650      0.127502      4.769756
  Mo     -3.775898      1.986399      5.439044
  N      -4.799314      1.058201      6.935019
  C      -3.972147      0.531204      8.016249
  C      -2.565207      0.205145      7.530799
  N      -2.028229      1.321313      6.681707
  C      -1.011930      0.828641      5.712993
  C      -1.692279     -0.143620      4.733975
  C      -1.498702      2.431911      7.532042
  C      -1.879766      3.751449      6.892983
  N      -3.257116      3.607451      6.504389
  H      -1.236752     -0.019231      3.728244
  H      -1.498256     -1.194463      5.032975
  H      -0.622732      1.709105      5.186599
  H      -0.177961      0.346764      6.252477
  H      -1.751248      4.572321      7.622946
  H      -1.222140      3.988027      6.025462
  H      -1.992028      2.358877      8.509380
  H      -0.413519      2.311430      7.673211
  H      -4.411641     -0.389976      8.449950
  H      -3.923863      1.272870      8.834826
  H      -2.578057     -0.700209      6.917662
  H      -1.884567      0.043957      8.383107
  C       0.096927     -1.257900     -1.996106
  C      -0.949861     -0.217640     -1.689409
  O      -1.120006      0.729578     -2.455089
  C      -1.802185     -0.326649     -0.453995
  C      -2.825920      0.623962     -0.325415
  C      -3.695700      0.637735      0.759072
  O      -4.659460      1.592005      0.832290
  C      -3.536634     -0.320194      1.800444
  C      -4.440705     -0.275290      2.953868
  O      -5.464755      0.460183      2.926852
  C      -4.028208     -0.869544      4.282006
  C      -2.507628     -1.269392      1.675253
  C      -1.656039     -1.294591      0.572744
  O      -0.665751     -2.239272      0.482349
  C      -9.808525      9.266890      4.730465
  C      -9.710562      7.856354      4.214084
  O     -10.678322      7.387183      3.539841
  C      -8.553368      7.044251      4.514211
  C      -7.432417      7.544019      5.225821
  C      -6.343889      6.754328      5.531335
  O      -5.265985      7.263091      6.215986
  C      -6.317085      5.369467      5.153881
  C      -5.265619      4.466308      5.482207
  O      -5.439043      3.185811      5.258068
  C      -3.905014      4.820883      6.029622
  C      -7.436295      4.873910      4.426947
  C      -8.520818      5.672177      4.104020
  O      -9.568963      5.141649      3.430208
  C     -12.047077      5.933720      6.403091
  C     -10.757737      6.288721      7.105697
  O     -10.611825      7.423561      7.564351
  C      -9.671920      5.268026      7.281783
  C      -8.599075      5.662443      8.093886
  C      -7.538758      4.813659      8.397368
  O      -6.544139      5.268338      9.186926
  C      -7.516674      3.498262      7.840785
  C      -6.355827      2.639936      8.086865
  O      -5.478760      2.992102      8.906739
  C      -6.171157      1.321226      7.320505
  C      -8.586898      3.108345      7.018085
  C      -9.646970      3.958372      6.725595
  O     -10.602628      3.435249      5.890960
  H       0.873343     -1.262612     -1.217188
  H       0.542769     -1.028145     -2.970125
  H      -0.337311     -2.267530     -1.998337
  H      -2.933604      1.368798     -1.114762
  H      -5.230701      1.296744      1.632514
  H      -4.917273     -0.940721      4.930882
  H      -3.553274     -1.863681      4.215951
  H      -2.372869     -2.020069      2.457393
  H      -0.731088     -2.825863      1.257621
  H      -9.873414      9.257851      5.830389
  H      -8.929812      9.866595      4.451393
  H     -10.712231      9.734178      4.323837
  H      -7.430487      8.585325      5.555540
  H      -5.478374      8.177414      6.477368
  H      -3.311002      5.307055      5.218711
  H      -3.969284      5.569464      6.836284
  H      -7.441439      3.829238      4.119686
  H     -10.197708      5.943628      3.296101
  H     -11.890783      5.914693      5.310346
  H     -12.435298      4.955196      6.717986
  H     -12.782454      6.719487      6.610758
  H      -8.612907      6.670951      8.507297
  H      -5.920408      4.476142      9.281122
  H      -6.792964      1.335993      6.418621
  H      -6.565363      0.510244      7.967556
  H      -8.600123      2.126938      6.546537
  H     -10.938536      4.130421      5.295614
  N      -3.305523      2.776521      3.845606
  N      -3.456231      3.481973      2.775057
  H      -3.248736      4.481884      2.779199
  H      -3.871697      3.058943      1.931744
96
Coordinates from ORCA-job orca E -6715.900238329564
  N      -3.104235      0.127088      4.770821
  Mo     -3.776455      1.986944      5.437667
  N      -4.800164      1.058232      6.933113
  C      -3.973480      0.531448      8.015077
  C      -2.566133      0.205371      7.530198
  N      -2.028474      1.321257      6.681391
  C      -1.010885      0.828508      5.714599
  C      -1.691502     -0.138317      4.729018
  C      -1.500826      2.432143      7.532601
  C      -1.877488      3.751524      6.890488
  N      -3.253257      3.608586      6.496097
  H      -1.239850     -0.003405      3.723001
  H      -1.493716     -1.190859      5.018795
  H      -0.614973      1.709140      5.193607
  H      -0.181391      0.340843      6.255905
  H      -1.751750      4.573124      7.620179
  H      -1.215535      3.986693      6.025940
  H      -1.997590      2.360597      8.508223
  H      -0.416284      2.310503      7.678586
  H      -4.413077     -0.389826      8.448417
  H      -3.925844      1.272554      8.834329
  H      -2.578325     -0.699980      6.916840
  H      -1.885904      0.043513      8.382793
  C       0.103320     -1.251412     -1.989150
  C      -0.950607     -0.217247     -1.686353
  O      -1.129797      0.723796     -2.457671
  C      -1.802992     -0.328150     -0.451019
  C      -2.832237      0.616984     -0.325142
  C      -3.702154      0.628716      0.759241
  O      -4.670935      1.578272      0.829964
  C      -3.538007     -0.325745      1.802912
  C      -4.442395     -0.283476      2.956466
  O      -5.468564      0.448695      2.928340
  C      -4.026093     -0.873743      4.285048
  C      -2.504248     -1.270118      1.679728
  C      -1.652070     -1.293099      0.577486
  O      -0.656823     -2.233010      0.489195
  C      -9.805154      9.273281      4.739608
  C      -9.708650      7.862999      4.222524
  O     -10.677298      7.394575      3.549044
  C      -8.550770      7.050411      4.519075
  C      -7.427846      7.549389      5.227943
  C      -6.338958      6.759032      5.530597
  O      -5.261033      7.267117      6.215982
  C      -6.313271      5.374299      5.151827
  C      -5.262632      4.469537      5.478434
  O      -5.438481      3.189084      5.255811
  C      -3.899347      4.822771      6.021803
  C      -7.434903      4.879406      4.427962
  C      -8.520057      5.678377      4.108876
  O      -9.571522      5.148760      3.438795
  C     -12.050236      5.932351      6.402647
  C     -10.759358      6.287452      7.101996
  O     -10.612574      7.421972      7.561005
  C      -9.673788      5.266235      7.277928
  C      -8.599592      5.661336      8.087679
  C      -7.539726      4.811907      8.391539
  O      -6.543713      5.267527      9.178529
  C      -7.519346      3.495075      7.837838
  C      -6.359561      2.635543      8.085444
  O      -5.480193      2.989428      8.902329
  C      -6.172938      1.318878      7.316873
  C      -8.590914      3.105192      7.016682
  C      -9.650478      3.955640      6.723898
  O     -10.609121      3.431339      5.892780
  H       0.878790     -1.249979     -1.209309
  H       0.548682     -1.021412     -2.963344
  H      -0.324959     -2.263742     -1.989666
  H      -2.943580      1.359249     -1.116444
  H      -5.239762      1.283130      1.631706
  H      -4.914310     -0.947499      4.934897
  H      -3.547580     -1.866252      4.220312
  H      -2.366547     -2.019170      2.462973
  H      -0.719160     -2.818057      1.265883
  H      -9.868894      9.263166      5.839646
  H      -8.926387      9.872854      4.460302
  H     -10.709069      9.741320      4.334252
  H      -7.425009      8.590297      5.559078
  H      -5.473745      8.181217      6.477976
  H      -3.306599      5.306888      5.208854
  H      -3.959253      5.572036      6.827964
  H      -7.441683      3.834541      4.121115
  H     -10.199912      5.952647      3.306937
  H     -11.898077      5.919102      5.309324
  H     -12.433197      4.950273      6.712456
  H     -12.787196      6.714644      6.617689
  H      -8.611868      6.670731      8.499042
  H      -5.919950      4.475164      9.272871
  H      -6.793610      1.333662      6.414218
  H      -6.566334      0.506584      7.962681
  H      -8.606301      2.122961      6.546890
  H     -10.934666      4.121736      5.286652
  N      -3.310022      2.771908      3.839643
  N      -3.465367      3.475141      2.767471
  H      -3.257988      4.475000      2.767802
  H      -3.887299      3.050200      1.928641
96
Coordinates from ORCA-job orca E -6715.900254189111
  N      -3.106558      0.124987      4.772961
  Mo     -3.779772      1.984893      5.438336
  N      -4.803112      1.052799      6.932373
  C      -3.976357      0.524704      8.013651
  C      -2.568173      0.201135      7.528941
  N      -2.031163      1.318916      6.682218
  C      -1.012605      0.828843      5.715573
  C      -1.692695     -0.133685      4.724531
  C      -1.505434      2.429273      7.535230
  C      -1.880062      3.749205      6.892326
  N      -3.254698      3.606227      6.493088
  H      -1.245117      0.011350      3.718101
  H      -1.490282     -1.187606      5.005385
  H      -0.613884      1.710795      5.199077
  H      -0.185004      0.337743      6.256775
  H      -1.757188      4.570601      7.622708
  H      -1.215172      3.985088      6.030402
  H      -2.004854      2.357261      8.509411
  H      -0.421383      2.307091      7.684660
  H      -4.415110     -0.398150      8.444717
  H      -3.930218      1.263554      8.835039
  H      -2.578911     -0.703163      6.913991
  H      -1.888100      0.038637      8.381605
  C       0.113933     -1.234662     -1.980435
  C      -0.951244     -0.210440     -1.683373
  O      -1.133629      0.729988     -2.454710
  C      -1.804506     -0.325415     -0.448930
  C      -2.837734      0.615413     -0.323826
  C      -3.708244      0.623692      0.760104
  O      -4.680982      1.569209      0.829939
  C      -3.540624     -0.329543      1.804206
  C      -4.444562     -0.289544      2.958372
  O      -5.473061      0.439522      2.930599
  C      -4.025611     -0.878267      4.286889
  C      -2.503358     -1.270072      1.681397
  C      -1.650505     -1.289798      0.579605
  O      -0.651539     -2.225877      0.491950
  C      -9.800393      9.276866      4.733845
  C      -9.708069      7.864219      4.222620
  O     -10.680530      7.393801      3.555871
  C      -8.550928      7.050787      4.519099
  C      -7.424635      7.551004      5.221735
  C      -6.336129      6.760169      5.524479
  O      -5.255994      7.269836      6.205380
  C      -6.313577      5.373962      5.150828
  C      -5.263662      4.468429      5.476934
  O      -5.442621      3.187498      5.258645
  C      -3.897667      4.820616      6.014808
  C      -7.438906      4.877668      4.433538
  C      -8.524172      5.676683      4.115452
  O      -9.579275      5.145789      3.451982
  C     -12.047777      5.935755      6.406890
  C     -10.754656      6.290625      7.101653
  O     -10.604592      7.426012      7.557187
  C      -9.669897      5.267955      7.277574
  C      -8.591943      5.664091      8.081466
  C      -7.532710      4.813371      8.385021
  O      -6.533064      5.270023      9.166600
  C      -7.517021      3.494510      7.836131
  C      -6.358087      2.633221      8.082900
  O      -5.474832      2.988221      8.895052
  C      -6.175188      1.314674      7.317217
  C      -8.592083      3.104173      7.019837
  C      -9.651049      3.955597      6.728063
  O     -10.615037      3.430611      5.902999
  H       0.884686     -1.227484     -1.195963
  H       0.562814     -1.000130     -2.951932
  H      -0.305711     -2.250625     -1.984359
  H      -2.951429      1.357142     -1.115328
  H      -5.248816      1.272843      1.631786
  H      -4.913321     -0.954388      4.937056
  H      -3.544277     -1.869503      4.222305
  H      -2.362860     -2.018351      2.464907
  H      -0.711904     -2.810847      1.268862
  H      -9.859239      9.270842      5.834276
  H      -8.922159      9.874272      4.448288
  H     -10.705506      9.744436      4.330640
  H      -7.418899      8.593353      5.548389
  H      -5.466907      8.185586      6.462940
  H      -3.305622      5.298015      5.197404
  H      -3.952293      5.574415      6.817009
  H      -7.448387      3.831390      4.131609
  H     -10.207044      5.951037      3.319693
  H     -11.897834      5.918287      5.313338
  H     -12.431288      4.954998      6.719823
  H     -12.782658      6.720165      6.621196
  H      -8.600749      6.674997      8.489162
  H      -5.910587      4.476733      9.262137
  H      -6.797329      1.327860      6.415387
  H      -6.567980      0.504091      7.965542
  H      -8.611452      2.120223      6.553516
  H     -10.934394      4.117255      5.289495
  N      -3.317500      2.768601      3.838450
  N      -3.478299      3.471774      2.766705
  H      -3.265492      4.470535      2.763740
  H      -3.898611      3.045008      1.927928
96
Coordinates from ORCA-job orca E -6715.900263514544
  N      -3.108549      0.122493      4.775181
  Mo     -3.781000      1.982453      5.440296
  N      -4.803021      1.050100      6.934768
  C      -3.975179      0.523200      8.015621
  C      -2.567732      0.199002      7.529537
  N      -2.031222      1.316818      6.682315
  C      -1.014068      0.827046      5.714110
  C      -1.695062     -0.136828      4.725312
  C      -1.503488      2.427149      7.534149
  C      -1.879789      3.747116      6.891851
  N      -3.255344      3.603769      6.494929
  H      -1.248143      0.006537      3.718252
  H      -1.493198     -1.190560      5.007313
  H      -0.618070      1.709118      5.195757
  H      -0.184419      0.337604      6.253692
  H      -1.755398      4.568712      7.621654
  H      -1.216858      3.982951      6.028493
  H      -2.001046      2.354943      8.509286
  H      -0.419224      2.304650      7.681310
  H      -4.413616     -0.399260      8.448134
  H      -3.928216      1.262797      8.836199
  H      -2.580112     -0.704984      6.914351
  H      -1.886645      0.036513      8.381402
  C       0.114237     -1.225497     -1.979056
  C      -0.951336     -0.202158     -1.680537
  O      -1.136926      0.736959     -2.452633
  C      -1.805828     -0.320141     -0.447147
  C      -2.839023      0.620437     -0.320967
  C      -3.709908      0.626923      0.762686
  O      -4.682404      1.572472      0.833842
  C      -3.542919     -0.327978      1.805295
  C      -4.446888     -0.288974      2.959303
  O      -5.475185      0.440853      2.932943
  C      -4.028557     -0.878946      4.287548
  C      -2.505639     -1.268251      1.681547
  C      -1.652495     -1.286378      0.580047
  O      -0.653826     -2.222520      0.491272
  C      -9.798289      9.276002      4.726036
  C      -9.707374      7.861626      4.219344
  O     -10.679930      7.390488      3.552955
  C      -8.551028      7.048118      4.517726
  C      -7.424508      7.549024      5.219706
  C      -6.336609      6.758091      5.524432
  O      -5.256396      7.268364      6.204721
  C      -6.314671      5.371408      5.152980
  C      -5.264745      4.466160      5.479513
  O      -5.444197      3.185070      5.261914
  C      -3.898796      4.818255      6.016388
  C      -7.440125      4.874498      4.436315
  C      -8.524901      5.673238      4.116417
  O      -9.579684      5.141801      3.453004
  C     -12.045446      5.936893      6.404239
  C     -10.752839      6.291344      7.099686
  O     -10.601655      7.427243      7.553584
  C      -9.668537      5.267961      7.277566
  C      -8.589276      5.665460      8.078732
  C      -7.529482      4.815080      8.382100
  O      -6.527950      5.273057      9.160326
  C      -7.515216      3.495399      7.835779
  C      -6.355241      2.635327      8.081401
  O      -5.469704      2.993137      8.889877
  C      -6.174485      1.313431      7.320997
  C      -8.592073      3.103328      7.022688
  C      -9.651245      3.954399      6.731251
  O     -10.618404      3.428422      5.909890
  H       0.885817     -1.217627     -1.195405
  H       0.561766     -0.990414     -2.951053
  H      -0.304460     -2.241796     -1.982534
  H      -2.952101      1.363708     -1.111125
  H      -5.250434      1.275625      1.635427
  H      -4.916295     -0.954278      4.937631
  H      -3.548307     -1.870772      4.222207
  H      -2.364707     -2.017095      2.464449
  H      -0.714976     -2.809012      1.266997
  H      -9.857312      9.272891      5.826474
  H      -8.919507      9.871766      4.438847
  H     -10.702903      9.743365      4.321504
  H      -7.418153      8.592021      5.544285
  H      -5.466489      8.185007      6.459678
  H      -3.307003      5.294152      5.197892
  H      -3.952658      5.573223      6.817548
  H      -7.449659      3.827815      4.135903
  H     -10.206405      5.947770      3.318200
  H     -11.893107      5.917819      5.311020
  H     -12.430516      4.956791      6.716874
  H     -12.779302      6.722908      6.616042
  H      -8.596947      6.677248      8.484265
  H      -5.905032      4.480074      9.255491
  H      -6.798410      1.322443      6.420181
  H      -6.566069      0.505401      7.973291
  H      -8.612682      2.118262      6.558575
  H     -10.932034      4.111918      5.289701
  N      -3.318169      2.767325      3.840913
  N      -3.477907      3.470623      2.769713
  H      -3.270969      4.470722      2.769371
  H      -3.899223      3.044749      1.930707
96
Coordinates from ORCA-job orca E -6715.900268065458
  N      -3.107038      0.122904      4.773782
  Mo     -3.780258      1.983170      5.437591
  N      -4.804401      1.051031      6.930816
  C      -3.978343      0.521342      8.011683
  C      -2.569718      0.198803      7.527988
  N      -2.032523      1.317488      6.682356
  C      -1.013856      0.828513      5.715352
  C      -1.693241     -0.134591      4.724506
  C      -1.506761      2.427400      7.535823
  C      -1.880973      3.747560      6.892797
  N      -3.255363      3.604341      6.491891
  H      -1.246059      0.011070      3.717919
  H      -1.490157     -1.188493      5.004806
  H      -0.617051      1.710908      5.198180
  H      -0.185069      0.338683      6.255851
  H      -1.758568      4.568968      7.623044
  H      -1.215710      3.983470      6.031304
  H      -2.007259      2.355213      8.509469
  H      -0.422972      2.304605      7.685928
  H      -4.417282     -0.402373      8.440964
  H      -3.933283      1.258857      8.834202
  H      -2.580095     -0.704792      6.912283
  H      -1.890126      0.036489      8.381045
  C       0.117990     -1.227955     -1.978090
  C      -0.950685     -0.207013     -1.682553
  O      -1.136199      0.731760     -2.455005
  C      -1.804260     -0.323793     -0.448493
  C      -2.838306      0.615876     -0.323090
  C      -3.708753      0.622886      0.760942
  O      -4.682195      1.567365      0.831229
  C      -3.540326     -0.330559      1.804677
  C      -4.444662     -0.291585      2.958413
  O      -5.473819      0.436871      2.931061
  C      -4.025965     -0.879807      4.287435
  C      -2.502071     -1.269758      1.681782
  C      -1.649421     -1.288434      0.579997
  O      -0.649982     -2.223764      0.491772
  C      -9.800100      9.275594      4.729889
  C      -9.708627      7.862016      4.221094
  O     -10.681946      7.390751      3.555870
  C      -8.551738      7.048845      4.517718
  C      -7.424483      7.549737      5.218432
  C      -6.336171      6.758915      5.521692
  O      -5.254811      7.269174      6.200128
  C      -6.314692      5.372257      5.150430
  C      -5.264590      4.467063      5.476563
  O      -5.443465      3.186120      5.257774
  C      -3.899598      4.819194      6.015270
  C      -7.440771      4.875380      4.434726
  C      -8.525981      5.674021      4.116156
  O      -9.581806      5.142438      3.454550
  C     -12.047648      5.939668      6.411263
  C     -10.754404      6.293091      7.106014
  O     -10.602617      7.428418      7.561065
  C      -9.669778      5.269528      7.281580
  C      -8.590615      5.665729      8.083471
  C      -7.530225      4.815245      8.384472
  O      -6.528409      5.271997      9.163095
  C      -7.515817      3.496727      7.835621
  C      -6.355535      2.636646      8.078913
  O      -5.468710      2.993867      8.886255
  C      -6.175704      1.315711      7.316532
  C      -8.592836      3.105681      7.022267
  C      -9.652146      3.957028      6.732596
  O     -10.618920      3.432805      5.909586
  H       0.887672     -1.217910     -1.192636
  H       0.567170     -0.992331     -2.949152
  H      -0.298370     -2.245164     -1.982045
  H      -2.952660      1.357857     -1.114209
  H      -5.249169      1.271495      1.633818
  H      -4.913764     -0.955101      4.937446
  H      -3.544860     -1.871263      4.223027
  H      -2.359901     -2.017374      2.465564
  H      -0.710103     -2.809289      1.268282
  H      -9.858486      9.270741      5.830326
  H      -8.921939      9.872298      4.442989
  H     -10.705281      9.742954      4.326689
  H      -7.417756      8.592678      5.543016
  H      -5.464426      8.185813      6.455444
  H      -3.307430      5.296954      5.198156
  H      -3.954920      5.572488      6.817819
  H      -7.450630      3.828713      4.134433
  H     -10.208624      5.948418      3.320519
  H     -11.895490      5.920210      5.318028
  H     -12.433586      4.960062      6.724298
  H     -12.780612      6.726478      6.623025
  H      -8.598433      6.676668      8.491049
  H      -5.904580      4.479336      9.255246
  H      -6.799060      1.326905      6.415410
  H      -6.568850      0.507212      7.967244
  H      -8.613055      2.121623      6.556205
  H     -10.932031      4.117956      5.290877
  N      -3.317024      2.766738      3.837775
  N      -3.476326      3.469406      2.766552
  H      -3.265388      4.468584      2.765030
  H      -3.898243      3.043941      1.927788
96
Coordinates from ORCA-job orca E -6715.900270432252
  N      -3.105997      0.123558      4.773750
  Mo     -3.779625      1.983741      5.437539
  N      -4.804391      1.051412      6.930321
  C      -3.979223      0.520143      8.011085
  C      -2.569981      0.198938      7.528460
  N      -2.032802      1.318093      6.683396
  C      -1.013469      0.829420      5.716885
  C      -1.692041     -0.133365      4.725122
  C      -1.508136      2.427876      7.537600
  C      -1.881327      3.747904      6.893984
  N      -3.255404      3.604744      6.492291
  H      -1.244456      0.013071      3.718841
  H      -1.488619     -1.187355      5.004825
  H      -0.616401      1.711946      5.200109
  H      -0.184964      0.339535      6.257743
  H      -1.759219      4.569489      7.624063
  H      -1.215387      3.983353      6.032831
  H      -2.010382      2.356004      8.510391
  H      -0.424598      2.304932      7.689356
  H      -4.418094     -0.404534      8.438327
  H      -3.935412      1.256268      8.834965
  H      -2.579419     -0.704383      6.912363
  H      -1.890905      0.036772      8.381924
  C       0.116279     -1.231759     -1.979736
  C      -0.952027     -0.210266     -1.684716
  O      -1.136738      0.728619     -2.457225
  C      -1.804517     -0.325310     -0.449779
  C      -2.837688      0.615290     -0.324112
  C      -3.707615      0.623433      0.760360
  O      -4.680354      1.568567      0.830489
  C      -3.539359     -0.329819      1.804418
  C      -4.443153     -0.290163      2.958531
  O      -5.472263      0.438371      2.931633
  C      -4.024589     -0.879234      4.287261
  C      -2.501815     -1.269781      1.681324
  C      -1.649797     -1.289576      0.579098
  O      -0.651186     -2.225765      0.490616
  C      -9.800651      9.276292      4.733178
  C      -9.708170      7.863584      4.222129
  O     -10.681062      7.392961      3.555697
  C      -8.551331      7.050302      4.518406
  C      -7.423837      7.550756      5.219060
  C      -6.335436      6.759739      5.521527
  O      -5.253243      7.269755      6.198814
  C      -6.314453      5.373039      5.150403
  C      -5.264149      4.467793      5.476049
  O      -5.442972      3.186886      5.257129
  C      -3.899521      4.819682      6.015640
  C      -7.440964      4.876529      4.435031
  C      -8.526089      5.675453      4.116838
  O      -9.582686      5.144102      3.456201
  C     -12.049616      5.936399      6.411220
  C     -10.756841      6.291016      7.106161
  O     -10.605966      7.426425      7.561224
  C      -9.670951      5.268498      7.281284
  C      -8.592235      5.665674      8.083184
  C      -7.530894      4.816196      8.383868
  O      -6.529297      5.274056      9.162015
  C      -7.515793      3.497447      7.835513
  C      -6.354784      2.638195      8.077864
  O      -5.467259      2.995724      8.884280
  C      -6.175516      1.316953      7.315908
  C      -8.592558      3.105333      7.022300
  C      -9.652194      3.955993      6.732198
  O     -10.618202      3.431617      5.908254
  H       0.885352     -1.222079     -1.193686
  H       0.566233     -0.996247     -2.950458
  H      -0.300531     -2.248790     -1.984067
  H      -2.952083      1.356862     -1.115597
  H      -5.247643      1.273173      1.633053
  H      -4.912456     -0.954772      4.937176
  H      -3.543339     -1.870568      4.222376
  H      -2.359720     -2.017239      2.465277
  H      -0.711397     -2.811055      1.267294
  H      -9.859830      9.269613      5.833525
  H      -8.922596      9.873878      4.447809
  H     -10.705803      9.743882      4.330174
  H      -7.416677      8.593716      5.543570
  H      -5.462071      8.186685      6.453790
  H      -3.306749      5.297405      5.198900
  H      -3.955321      5.572749      6.818328
  H      -7.451212      3.829866      4.134738
  H     -10.208693      5.950588      3.321375
  H     -11.896379      5.915845      5.318149
  H     -12.435355      4.956913      6.724924
  H     -12.782916      6.723281      6.621536
  H      -8.600736      6.676651      8.490668
  H      -5.904489      4.481962      9.253625
  H      -6.798863      1.328219      6.414821
  H      -6.569391      0.508844      7.966651
  H      -8.611699      2.121332      6.556172
  H     -10.928762      4.116589      5.287906
  N      -3.315655      2.767104      3.837894
  N      -3.473416      3.469367      2.766272
  H      -3.262540      4.468587      2.764939
  H      -3.896574      3.044470      1.927847
96
Coordinates from ORCA-job orca E -6715.900272365956
  N      -3.105310      0.123277      4.773543
  Mo     -3.779252      1.983668      5.436963
  N      -4.804813      1.051777      6.929653
  C      -3.980878      0.518642      8.010333
  C      -2.570979      0.198574      7.528819
  N      -2.033611      1.317956      6.684142
  C      -1.013516      0.829337      5.718352
  C      -1.691235     -0.133204      4.725754
  C      -1.509971      2.427653      7.539003
  C      -1.881634      3.747513      6.894399
  N      -3.255399      3.604657      6.491861
  H      -1.243036      0.013754      3.719801
  H      -1.487584     -1.187267      5.005075
  H      -0.615988      1.711888      5.201926
  H      -0.185398      0.339391      6.259762
  H      -1.759550      4.569469      7.624078
  H      -1.214825      3.981994      6.033583
  H      -2.014467      2.356478      8.510702
  H      -0.426776      2.304181      7.692880
  H      -4.419880     -0.407113      8.435163
  H      -3.938392      1.253102      8.835823
  H      -2.579546     -0.704562      6.912452
  H      -1.892400      0.036686      8.382722
  C       0.116608     -1.233659     -1.981003
  C      -0.952206     -0.212554     -1.686371
  O      -1.137478      0.725886     -2.459330
  C      -1.803639     -0.326669     -0.450622
  C      -2.836482      0.614319     -0.324671
  C      -3.705852      0.623062      0.760240
  O      -4.678130      1.568657      0.830901
  C      -3.537547     -0.330058      1.804336
  C      -4.441539     -0.290236      2.958098
  O      -5.470190      0.439034      2.931147
  C      -4.023663     -0.879620      4.286869
  C      -2.500227     -1.270285      1.681191
  C      -1.648639     -1.290619      0.578624
  O      -0.650396     -2.227168      0.490063
  C      -9.800562      9.277469      4.737549
  C      -9.707859      7.865393      4.224766
  O     -10.681244      7.395342      3.558487
  C      -8.551003      7.051766      4.519921
  C      -7.422466      7.551825      5.219247
  C      -6.333922      6.760428      5.520360
  O      -5.250381      7.270234      6.195617
  C      -6.314062      5.373498      5.149869
  C      -5.263577      4.468081      5.474687
  O      -5.442637      3.187175      5.255859
  C      -3.899197      4.819620      6.014933
  C      -7.441819      4.877349      4.436149
  C      -8.527023      5.676624      4.119099
  O      -9.585253      5.145401      3.460866
  C     -12.053927      5.933536      6.413831
  C     -10.760702      6.289569      7.107123
  O     -10.610233      7.425122      7.561902
  C      -9.673188      5.268189      7.280792
  C      -8.593595      5.667089      8.080520
  C      -7.530945      4.818745      8.380123
  O      -6.528051      5.278169      9.155548
  C      -7.516272      3.499250      7.833860
  C      -6.354109      2.641316      8.075041
  O      -5.464879      3.001081      8.878508
  C      -6.175680      1.318898      7.314967
  C      -8.593991      3.105303      7.022713
  C      -9.654217      3.955174      6.732767
  O     -10.620859      3.430109      5.909759
  H       0.885092     -1.223638     -1.194371
  H       0.567061     -0.997834     -2.951432
  H      -0.299692     -2.250925     -1.985694
  H      -2.951155      1.355650     -1.116370
  H      -5.244995      1.273600      1.633882
  H      -4.911813     -0.955048      4.936434
  H      -3.542365     -1.870923      4.222000
  H      -2.358006     -2.017604      2.465298
  H      -0.710634     -2.812388      1.266807
  H      -9.859351      9.269465      5.837893
  H      -8.922818      9.875725      4.452532
  H     -10.706044      9.745279      4.335504
  H      -7.414374      8.594954      5.543280
  H      -5.457934      8.187690      6.449822
  H      -3.305795      5.297105      5.198465
  H      -3.955280      5.572634      6.817656
  H      -7.453028      3.830485      4.136453
  H     -10.210057      5.952720      3.324686
  H     -11.901002      5.911598      5.320748
  H     -12.438941      4.954146      6.728749
  H     -12.787279      6.720564      6.623472
  H      -8.602020      6.678518      8.486947
  H      -5.902354      4.486644      9.246443
  H      -6.799201      1.329335      6.413986
  H      -6.570461      0.511896      7.966568
  H      -8.612912      2.120769      6.557738
  H     -10.927541      4.113728      5.285851
  N      -3.313961      2.766858      3.837924
  N      -3.469301      3.469160      2.765895
  H      -3.258997      4.468579      2.765374
  H      -3.892431      3.044959      1.927031
96
Coordinates from ORCA-job orca E -6715.900273766427
  N      -3.106011      0.123198      4.773733
  Mo     -3.779801      1.983576      5.437103
  N      -4.804702      1.051538      6.930051
  C      -3.980283      0.519265      8.010798
  C      -2.570572      0.198895      7.528771
  N      -2.033576      1.318064      6.683631
  C      -1.013901      0.829337      5.717468
  C      -1.692038     -0.133716      4.725724
  C      -1.509406      2.427802      7.538074
  C      -1.881816      3.747711      6.893924
  N      -3.255695      3.604639      6.491806
  H      -1.244035      0.012391      3.719562
  H      -1.488469     -1.187612      5.005792
  H      -0.616918      1.711798      5.200486
  H      -0.185371      0.339772      6.258579
  H      -1.759804      4.569490      7.623823
  H      -1.215412      3.982679      6.032951
  H      -2.012873      2.356462      8.510273
  H      -0.426030      2.304589      7.690870
  H      -4.419042     -0.406175      8.436532
  H      -3.937381      1.254393      8.835652
  H      -2.579329     -0.704550      6.912818
  H      -1.891712      0.037289      8.382499
  C       0.117336     -1.233243     -1.980131
  C      -0.951009     -0.211670     -1.685437
  O      -1.135936      0.726837     -2.458400
  C      -1.803173     -0.326096     -0.450256
  C      -2.836052      0.614902     -0.324623
  C      -3.705878      0.623556      0.759895
  O      -4.678223      1.569154      0.830161
  C      -3.538014     -0.329656      1.804018
  C      -4.442051     -0.289652      2.957751
  O      -5.470910      0.439315      2.930544
  C      -4.024541     -0.879336      4.286478
  C      -2.500769     -1.270021      1.681057
  C      -1.648726     -1.290256      0.578824
  O      -0.650479     -2.226803      0.490564
  C      -9.800106      9.277830      4.736182
  C      -9.707890      7.865431      4.224243
  O     -10.681249      7.395357      3.558058
  C      -8.551031      7.051785      4.519531
  C      -7.422290      7.551999      5.218369
  C      -6.333862      6.760538      5.519708
  O      -5.250208      7.270523      6.194622
  C      -6.314236      5.373454      5.149693
  C      -5.264059      4.467895      5.474986
  O      -5.443272      3.186953      5.256636
  C      -3.899469      4.819507      6.014794
  C      -7.442031      4.877250      4.436114
  C      -8.527137      5.676609      4.118988
  O      -9.585393      5.145463      3.460683
  C     -12.052384      5.934128      6.412670
  C     -10.759555      6.289514      7.107093
  O     -10.609092      7.424887      7.562354
  C      -9.672653      5.267706      7.281353
  C      -8.593212      5.666245      8.081510
  C      -7.531017      4.817569      8.381654
  O      -6.528431      5.276752      9.157664
  C      -7.516245      3.498171      7.835089
  C      -6.354360      2.639863      8.076666
  O      -5.465753      2.998900      8.881122
  C      -6.175589      1.318004      7.315677
  C      -8.593886      3.104567      7.023677
  C      -9.653952      3.954611      6.733547
  O     -10.620744      3.429382      5.910907
  H       0.886039     -1.223368     -1.193721
  H       0.567649     -0.997796     -2.950711
  H      -0.299377     -2.250332     -1.984549
  H      -2.950343      1.356378     -1.116229
  H      -5.245662      1.273708      1.632648
  H      -4.912803     -0.954854      4.935874
  H      -3.543382     -1.870680      4.221441
  H      -2.358983     -2.017485      2.465078
  H      -0.710981     -2.812118      1.267206
  H      -9.858929      9.270454      5.836529
  H      -8.922150      9.875617      4.450855
  H     -10.705406      9.745698      4.333816
  H      -7.414036      8.595231      5.542025
  H      -5.457748      8.187982      6.448776
  H      -3.306268      5.297090      5.198270
  H      -3.955399      5.572541      6.817530
  H      -7.453415      3.830320      4.136681
  H     -10.210216      5.952753      3.324663
  H     -11.899281      5.913660      5.319627
  H     -12.437211      4.954260      6.726290
  H     -12.786062      6.720603      6.623218
  H      -8.601558      6.677636      8.487997
  H      -5.902916      4.485181      9.248957
  H      -6.799207      1.329034      6.414772
  H      -6.570037      0.510492      7.966833
  H      -8.613121      2.119944      6.558907
  H     -10.928169      4.112922      5.287378
  N      -3.315369      2.766959      3.837743
  N      -3.472035      3.469435      2.765977
  H      -3.260756      4.468613      2.764941
  H      -3.894221      3.044762      1.926913
96
Coordinates from ORCA-job orca E -6715.900275862698
  N      -3.105580      0.122408      4.773607
  Mo     -3.779897      1.982994      5.436010
  N      -4.805676      1.051187      6.928411
  C      -3.982704      0.516847      8.009300
  C      -2.572259      0.197580      7.528507
  N      -2.034984      1.317328      6.684247
  C      -1.014167      0.829096      5.719059
  C      -1.691307     -0.133101      4.725567
  C      -1.512244      2.426925      7.539762
  C      -1.882601      3.746915      6.894575
  N      -3.255654      3.604258      6.489633
  H      -1.243283      0.015086      3.719734
  H      -1.486856     -1.187242      5.004002
  H      -0.616112      1.711789      5.203302
  H      -0.186566      0.338854      6.260980
  H      -1.761852      4.568793      7.624570
  H      -1.214245      3.981460      6.035010
  H      -2.018296      2.356034      8.510642
  H      -0.429297      2.303178      7.695245
  H      -4.421834     -0.409624      8.432415
  H      -3.941180      1.250166      8.835814
  H      -2.579841     -0.705639      6.912167
  H      -1.894073      0.035998      8.382772
  C       0.120751     -1.231133     -1.978960
  C      -0.949926     -0.211617     -1.685607
  O      -1.136971      0.725458     -2.459803
  C      -1.802068     -0.326503     -0.450410
  C      -2.835947      0.613453     -0.325196
  C      -3.705779      0.621703      0.759331
  O      -4.678998      1.566425      0.829221
  C      -3.537026     -0.331002      1.803815
  C      -4.441132     -0.291521      2.957531
  O      -5.470454      0.436785      2.930186
  C      -4.023368     -0.880859      4.286326
  C      -2.498844     -1.270393      1.681185
  C      -1.646692     -1.290124      0.579012
  O      -0.647485     -2.225714      0.491098
  C      -9.799666      9.278710      4.738538
  C      -9.708747      7.865891      4.227563
  O     -10.683401      7.395614      3.563328
  C      -8.551649      7.052132      4.521387
  C      -7.421440      7.552522      5.217687
  C      -6.332790      6.760890      5.517729
  O      -5.247737      7.271060      6.190279
  C      -6.314213      5.373505      5.148681
  C      -5.263881      4.467887      5.473107
  O      -5.443242      3.186935      5.254658
  C      -3.899255      4.819315      6.013057
  C      -7.443458      4.877144      4.437469
  C      -8.529029      5.676536      4.122099
  O      -9.589075      5.145193      3.466750
  C     -12.054046      5.934509      6.415405
  C     -10.760534      6.290410      7.108192
  O     -10.609735      7.425964      7.562845
  C      -9.673109      5.268880      7.281619
  C      -8.592111      5.668548      8.079046
  C      -7.529299      4.820210      8.378170
  O      -6.524713      5.280574      9.150881
  C      -7.515899      3.499909      7.833824
  C      -6.353292      2.642176      8.073656
  O      -5.462627      3.002436      8.875324
  C      -6.176230      1.319505      7.313760
  C      -8.595190      3.105179      7.025081
  C      -9.655473      3.955053      6.735501
  O     -10.623810      3.429272      5.914841
  H       0.888689     -1.219407     -1.191825
  H       0.571397     -0.995211     -2.949270
  H      -0.293905     -2.249077     -1.983350
  H      -2.950979      1.354475     -1.117125
  H      -5.246105      1.270725      1.631922
  H      -4.911660     -0.956966      4.935603
  H      -3.541420     -1.871822      4.221424
  H      -2.356357     -2.017517      2.465400
  H      -0.707502     -2.810886      1.267884
  H      -9.856879      9.272115      5.839002
  H      -8.921955      9.876039      4.451471
  H     -10.705432      9.746569      4.337202
  H      -7.412199      8.596040      5.540429
  H      -5.454380      8.188921      6.443708
  H      -3.305869      5.297303      5.196944
  H      -3.955300      5.571865      6.816256
  H      -7.455792      3.829950      4.138989
  H     -10.213842      5.952886      3.331491
  H     -11.901788      5.912931      5.322279
  H     -12.438478      4.954851      6.730144
  H     -12.787471      6.721221      6.625921
  H      -8.599459      6.680546      8.484039
  H      -5.898983      4.489026      9.241820
  H      -6.799919      1.330819      6.412879
  H      -6.571872      0.512873      7.965295
  H      -8.615328      2.119872      6.561780
  H     -10.928735      4.111514      5.288631
  N      -3.315161      2.765288      3.836065
  N      -3.471134      3.467076      2.763725
  H      -3.261839      4.466655      2.762776
  H      -3.895306      3.042515      1.925640
96
Coordinates from ORCA-job orca E -6715.900281416946
  N      -3.109208      0.132238      4.773437
  Mo     -3.778034      1.990791      5.445838
  N      -4.794056      1.057174      6.944100
  C      -3.958491      0.542087      8.024398
  C      -2.555354      0.211599      7.531178
  N      -2.021069      1.325722      6.677954
  C      -1.010794      0.832279      5.704087
  C      -1.697664     -0.137151      4.726324
  C      -1.484931      2.436918      7.523318
  C      -1.872560      3.756076      6.886773
  N      -3.253078      3.610587      6.508047
  H      -1.249618     -0.008336      3.717763
  H      -1.502016     -1.189093      5.019846
  H      -0.621469      1.712562      5.177598
  H      -0.175518      0.347346      6.238956
  H      -1.739498      4.577587      7.615177
  H      -1.221964      3.993153      6.014268
  H      -1.968211      2.363131      8.505575
  H      -0.398424      2.317332      7.655111
  H      -4.394314     -0.374580      8.471380
  H      -3.904065      1.291861      8.835403
  H      -2.574625     -0.694127      6.918761
  H      -1.870126      0.049416      8.379724
  C       0.088410     -1.259373     -1.989806
  C      -0.958897     -0.219175     -1.684769
  O      -1.127258      0.728530     -2.450308
  C      -1.812040     -0.327723     -0.449872
  C      -2.835490      0.623304     -0.321883
  C      -3.705196      0.637777      0.762592
  O      -4.668965      1.592233      0.834852
  C      -3.546349     -0.319110      1.804715
  C      -4.449733     -0.272884      2.958807
  O      -5.472978      0.463897      2.932327
  C      -4.034768     -0.864635      4.287304
  C      -2.518302     -1.269286      1.679638
  C      -1.666844     -1.295599      0.577007
  O      -0.677441     -2.241249      0.486781
  C      -9.800966      9.278027      4.728392
  C      -9.701246      7.867919      4.211285
  O     -10.665370      7.399996      3.530897
  C      -8.546630      7.054247      4.516851
  C      -7.427649      7.552605      5.232608
  C      -6.340961      6.761751      5.542008
  O      -5.266971      7.269874      6.233497
  C      -6.313969      5.377042      5.163662
  C      -5.264522      4.471785      5.493059
  O      -5.442157      3.191072      5.273175
  C      -3.899433      4.824508      6.030765
  C      -7.432196      4.882540      4.434322
  C      -8.514485      5.682057      4.107508
  O      -9.561439      5.153157      3.429859
  C     -12.043219      5.920433      6.379259
  C     -10.757040      6.275299      7.086713
  O     -10.611852      7.410038      7.545407
  C      -9.672574      5.253322      7.270155
  C      -8.606880      5.645735      8.091909
  C      -7.549242      4.795700      8.403017
  O      -6.563380      5.247839      9.204350
  C      -7.521435      3.482369      7.841953
  C      -6.363580      2.622354      8.098561
  O      -5.493564      2.973630      8.926388
  C      -6.168279      1.306796      7.330388
  C      -8.584504      3.095289      7.008727
  C      -9.642932      3.945320      6.710987
  O     -10.595362      3.423316      5.870708
  H       0.864390     -1.263828     -1.210447
  H       0.534681     -1.030505     -2.963857
  H      -0.346122     -2.268968     -1.991540
  H      -2.942499      1.367856     -1.111648
  H      -5.240026      1.299209      1.635560
  H      -4.922706     -0.934718      4.937791
  H      -3.560331     -1.859238      4.222117
  H      -2.383974     -2.019665      2.462222
  H      -0.742998     -2.827213      1.262532
  H      -9.871641      9.266544      5.827966
  H      -8.920449      9.877760      4.455144
  H     -10.702220      9.746591      4.317800
  H      -7.425862      8.593730      5.563086
  H      -5.480756      8.184347      6.493218
  H      -3.308542      5.301528      5.212113
  H      -3.953983      5.579034      6.832176
  H      -7.437314      3.837672      4.127475
  H     -10.187101      5.958297      3.291552
  H     -11.883030      5.908791      5.286987
  H     -12.427637      4.937465      6.683737
  H     -12.781394      6.702675      6.590211
  H      -8.624554      6.653020      8.508234
  H      -5.939633      4.456097      9.301631
  H      -6.790719      1.314065      6.428761
  H      -6.552587      0.492069      7.978649
  H      -8.594632      2.115362      6.533842
  H     -10.913387      4.113880      5.260679
  N      -3.315556      2.781643      3.849923
  N      -3.474674      3.488058      2.781027
  H      -3.252063      4.484697      2.779165
  H      -3.882963      3.061837      1.935769
96
Coordinates from ORCA-job orca E -6715.900285549631
  N      -3.110680      0.131840      4.772522
  Mo     -3.778489      1.990736      5.445541
  N      -4.794351      1.058698      6.944980
  C      -3.958371      0.546453      8.026117
  C      -2.556363      0.212949      7.531904
  N      -2.021394      1.325454      6.677002
  C      -1.012163      0.829905      5.703155
  C      -1.699851     -0.141776      4.728790
  C      -1.483443      2.437233      7.520488
  C      -1.872355      3.755721      6.883409
  N      -3.254359      3.610477      6.509781
  H      -1.249684     -0.019011      3.720428
  H      -1.507622     -1.192989      5.027323
  H      -0.624088      1.709059      5.173856
  H      -0.175882      0.346610      6.237888
  H      -1.735971      4.578329      7.609966
  H      -1.224785      3.990858      6.008092
  H      -1.964972      2.364551      8.503680
  H      -0.396718      2.317646      7.650189
  H      -4.394474     -0.368254      8.476772
  H      -3.902298      1.298914      8.834572
  H      -2.578595     -0.693064      6.919950
  H      -1.870380      0.050020      8.379629
  C       0.088651     -1.265526     -1.991244
  C      -0.953900     -0.221008     -1.684668
  O      -1.117456      0.729002     -2.448391
  C      -1.808002     -0.327952     -0.450408
  C      -2.829083      0.625666     -0.322539
  C      -3.699520      0.641672      0.761261
  O      -4.660857      1.598604      0.833604
  C      -3.544054     -0.316305      1.802924
  C      -4.448530     -0.268365      2.956022
  O      -5.470593      0.470167      2.928536
  C      -4.037587     -0.862903      4.284479
  C      -2.518243     -1.268959      1.678077
  C      -1.665988     -1.296713      0.576089
  O      -0.678577     -2.244440      0.486306
  C      -9.802985      9.276522      4.731639
  C      -9.702421      7.867146      4.212827
  O     -10.667045      7.398879      3.533403
  C      -8.546962      7.054146      4.516754
  C      -7.427553      7.552878      5.231489
  C      -6.340328      6.762439      5.539935
  O      -5.265850      7.270978      6.230324
  C      -6.313402      5.377652      5.161943
  C      -5.264234      4.472185      5.491768
  O      -5.442417      3.191534      5.272433
  C      -3.899344      4.824316      6.029878
  C      -7.431707      4.882984      4.432986
  C      -8.514631      5.682026      4.107230
  O      -9.562471      5.152447      3.431460
  C     -12.046232      5.919201      6.381606
  C     -10.760243      6.274308      7.089243
  O     -10.615138      7.409044      7.547818
  C      -9.675468      5.252456      7.272798
  C      -8.609914      5.645256      8.094382
  C      -7.551368      4.795859      8.404567
  O      -6.565757      5.248396      9.205832
  C      -7.522772      3.482867      7.842697
  C      -6.364584      2.623187      8.098893
  O      -5.493739      2.975006      8.925651
  C      -6.168721      1.307586      7.331127
  C      -8.586215      3.095197      7.010153
  C      -9.645355      3.944561      6.713444
  O     -10.597847      3.422650      5.873108
  H       0.865285     -1.273053     -1.212578
  H       0.534984     -1.038096     -2.965587
  H      -0.349755     -2.273397     -1.992807
  H      -2.933608      1.370936     -1.111927
  H      -5.233698      1.305743      1.633155
  H      -4.926650     -0.931890      4.933548
  H      -3.564873     -1.858253      4.219151
  H      -2.386202     -2.020025      2.460354
  H      -0.746397     -2.830950      1.261430
  H      -9.871640      9.263598      5.831304
  H      -8.923781      9.877700      4.457429
  H     -10.705583      9.744385      4.323250
  H      -7.425953      8.593939      5.562089
  H      -5.479123      8.185809      6.489147
  H      -3.307147      5.298869      5.210714
  H      -3.953573      5.580417      6.829774
  H      -7.436824      3.838062      4.126417
  H     -10.188684      5.957407      3.293869
  H     -11.885078      5.907599      5.289485
  H     -12.430619      4.936145      6.685700
  H     -12.784464      6.701505      6.591936
  H      -8.627833      6.652402      8.510988
  H      -5.940412      4.457504      9.301358
  H      -6.791651      1.313206      6.429847
  H      -6.552039      0.493098      7.980305
  H      -8.595703      2.115580      6.534752
  H     -10.915222      4.113551      5.263086
  N      -3.313355      2.783352      3.851576
  N      -3.470031      3.491092      2.783425
  H      -3.244374      4.486983      2.782421
  H      -3.873322      3.065175      1.935606
96
Coordinates from ORCA-job orca E -6715.900287675721
  N      -3.110109      0.129991      4.771594
  Mo     -3.779320      1.989489      5.442183
  N      -4.797247      1.057397      6.940286
  C      -3.963982      0.540596      8.021534
  C      -2.560178      0.209930      7.530133
  N      -2.024754      1.324057      6.677551
  C      -1.012950      0.830154      5.705624
  C      -1.698358     -0.138999      4.726471
  C      -1.490223      2.435384      7.523796
  C      -1.874931      3.754258      6.884857
  N      -3.254850      3.609481      6.503528
  H      -1.249003     -0.009697      3.718607
  H      -1.503004     -1.191036      5.019765
  H      -0.622178      1.710111      5.179675
  H      -0.178892      0.344897      6.242058
  H      -1.742548      4.576694      7.612298
  H      -1.222455      3.989445      6.013288
  H      -1.977290      2.363044      8.504253
  H      -0.404287      2.314942      7.659305
  H      -4.400793     -0.376461      8.466718
  H      -3.910889      1.289257      8.833648
  H      -2.579343     -0.695476      6.917159
  H      -1.875828      0.047125      8.379202
  C       0.098755     -1.259054     -1.986961
  C      -0.950545     -0.220296     -1.683879
  O      -1.118941      0.727009     -2.449883
  C      -1.804959     -0.329159     -0.449909
  C      -2.829614      0.620785     -0.323668
  C      -3.700505      0.635061      0.759850
  O      -4.665166      1.588621      0.830605
  C      -3.541913     -0.321128      1.802764
  C      -4.447034     -0.275119      2.955557
  O      -5.470841      0.460854      2.927186
  C      -4.034708     -0.867400      4.284639
  C      -2.512727     -1.270293      1.679294
  C      -1.659924     -1.296241      0.577702
  O      -0.669202     -2.240730      0.489203
  C      -9.801414      9.279045      4.735002
  C      -9.704224      7.868724      4.218211
  O     -10.671747      7.400312      3.542856
  C      -8.548478      7.055186      4.519029
  C      -7.426258      7.553914      5.229196
  C      -6.338814      6.762944      5.535205
  O      -5.261534      7.271661      6.221198
  C      -6.314188      5.377624      5.158977
  C      -5.264853      4.471886      5.487106
  O      -5.443417      3.191149      5.267792
  C      -3.899701      4.823779      6.024910
  C      -7.435290      4.882878      4.434234
  C      -8.518777      5.682328      4.111422
  O      -9.569635      5.152887      3.440107
  C     -12.048366      5.922512      6.390314
  C     -10.760176      6.277819      7.093720
  O     -10.613397      7.412843      7.550929
  C      -9.675001      5.255799      7.275233
  C      -8.606048      5.649885      8.091716
  C      -7.546834      4.800360      8.399645
  O      -6.557216      5.254052      9.195343
  C      -7.521584      3.485975      7.841045
  C      -6.362614      2.626487      8.093496
  O      -5.487664      2.979409      8.915540
  C      -6.170784      1.309971      7.326433
  C      -8.588561      3.097018      7.013591
  C      -9.647949      3.946561      6.718808
  O     -10.604378      3.423785      5.883251
  H       0.873258     -1.261879     -1.206164
  H       0.546267     -1.029841     -2.960337
  H      -0.334059     -2.269350     -1.989106
  H      -2.936515      1.364669     -1.114043
  H      -5.236502      1.295515      1.631196
  H      -4.923707     -0.937806      4.933616
  H      -3.559588     -1.861678      4.220381
  H      -2.378357     -2.020193      2.462281
  H      -0.735215     -2.826495      1.265045
  H      -9.866754      9.267622      5.834956
  H      -8.922412      9.878865      4.457224
  H     -10.704762      9.747314      4.328746
  H      -7.422527      8.595478      5.558218
  H      -5.473165      8.187163      6.478974
  H      -3.307580      5.298993      5.206172
  H      -3.953723      5.578978      6.825657
  H      -7.442276      3.837542      4.129160
  H     -10.195493      5.958911      3.303865
  H     -11.890028      5.908602      5.297849
  H     -12.432396      4.940161      6.697132
  H     -12.785466      6.705681      6.601255
  H      -8.621422      6.658038      8.505957
  H      -5.931941      4.462772      9.289667
  H      -6.794069      1.317491      6.425375
  H      -6.556438      0.496609      7.975640
  H      -8.600531      2.116210      6.540669
  H     -10.919815      4.113253      5.270623
  N      -3.315624      2.779347      3.846285
  N      -3.473921      3.485845      2.777524
  H      -3.248439      4.481740      2.775056
  H      -3.880226      3.059559      1.931475
96
Coordinates from ORCA-job orca E -6715.900288868175
  N      -3.110635      0.129884      4.770753
  Mo     -3.779014      1.989831      5.441400
  N      -4.796340      1.058941      6.940656
  C      -3.962468      0.544110      8.022371
  C      -2.559578      0.211315      7.530060
  N      -2.023896      1.324347      6.676234
  C      -1.012851      0.829129      5.704197
  C      -1.699096     -0.140437      4.726143
  C      -1.488115      2.436116      7.521254
  C      -1.873219      3.754671      6.881915
  N      -3.253604      3.609978      6.502082
  H      -1.249458     -0.012794      3.718191
  H      -1.504831     -1.192344      5.020686
  H      -0.621885      1.708489      5.177372
  H      -0.178761      0.343887      6.240607
  H      -1.739810      4.577671      7.608523
  H      -1.221750      3.988953      6.009352
  H      -1.974078      2.364444      8.502305
  H      -0.402052      2.315475      7.655550
  H      -4.399575     -0.371463      8.470306
  H      -3.907942      1.294748      8.832546
  H      -2.580582     -0.694366      6.917552
  H      -1.874537      0.048173      8.378511
  C       0.098753     -1.261298     -1.986384
  C      -0.949179     -0.221308     -1.682774
  O      -1.115303      0.727415     -2.447538
  C      -1.804246     -0.330019     -0.449217
  C      -2.828775      0.620138     -0.323451
  C      -3.700114      0.634633      0.759720
  O      -4.664693      1.588311      0.829969
  C      -3.542108     -0.321561      1.802777
  C      -4.447712     -0.275352      2.955205
  O      -5.471016      0.461360      2.926584
  C      -4.035896     -0.867321      4.284546
  C      -2.513086     -1.270971      1.679714
  C      -1.659847     -1.297111      0.578456
  O      -0.669163     -2.241730      0.490399
  C      -9.801107      9.280262      4.737944
  C      -9.703911      7.870200      4.220524
  O     -10.671115      7.402310      3.544281
  C      -8.548237      7.056464      4.521002
  C      -7.426488      7.554526      5.232366
  C      -6.339105      6.763338      5.538065
  O      -5.262354      7.271454      6.225398
  C      -6.314074      5.378466      5.160213
  C      -5.264557      4.472594      5.487521
  O      -5.442979      3.191991      5.267227
  C      -3.899158      4.824446      6.024617
  C      -7.434783      4.884326      4.434430
  C      -8.518216      5.684020      4.111959
  O      -9.568535      5.155456      3.439114
  C     -12.050049      5.920524      6.388951
  C     -10.761788      6.276440      7.091907
  O     -10.615345      7.411593      7.548916
  C      -9.676279      5.254746      7.273829
  C      -8.608255      5.648926      8.091457
  C      -7.549064      4.799567      8.400083
  O      -6.560602      5.252933      9.197344
  C      -7.522590      3.485590      7.840614
  C      -6.363544      2.626586      8.093881
  O      -5.489820      2.979599      8.917303
  C      -6.170202      1.310419      7.326594
  C      -8.588605      3.096610      7.011878
  C      -9.648231      3.945733      6.716867
  O     -10.604165      3.422737      5.880774
  H       0.873590     -1.264966     -1.205896
  H       0.546135     -1.032517     -2.959931
  H      -0.335116     -2.271144     -1.988377
  H      -2.935150      1.364016     -1.113914
  H      -5.236073      1.295541      1.630760
  H      -4.924948     -0.936871      4.933511
  H      -3.561343     -1.861943      4.221015
  H      -2.379311     -2.021051      2.462655
  H      -0.735620     -2.827433      1.266260
  H      -9.866932      9.268091      5.837882
  H      -8.921929      9.880173      4.460903
  H     -10.704257      9.748855      4.331605
  H      -7.423067      8.595720      5.562608
  H      -5.474286      8.186706      6.483841
  H      -3.307602      5.300040      5.205708
  H      -3.952615      5.579240      6.825772
  H      -7.441343      3.839366      4.128026
  H     -10.194414      5.961875      3.303777
  H     -11.892108      5.907618      5.296400
  H     -12.432976      4.937502      6.695011
  H     -12.787732      6.702884      6.600834
  H      -8.624317      6.656871      8.506201
  H      -5.935094      4.461768      9.291649
  H      -6.793475      1.317317      6.425517
  H      -6.555003      0.496595      7.975772
  H      -8.599635      2.116087      6.538308
  H     -10.919491      4.112322      5.268225
  N      -3.315584      2.779115      3.844980
  N      -3.474188      3.485460      2.776182
  H      -3.248922      4.481404      2.773481
  H      -3.880638      3.058960      1.930291
96
Coordinates from ORCA-job orca E -6715.900498651573
  N      -3.093041      0.147467      4.763724
  Mo     -3.768401      2.004998      5.437950
  N      -4.790476      1.065245      6.928368
  C      -3.960835      0.552028      8.014065
  C      -2.556591      0.219668      7.525946
  N      -2.018378      1.337194      6.679455
  C      -1.001805      0.848337      5.709841
  C      -1.680679     -0.120103      4.725639
  C      -1.488848      2.446383      7.532389
  C      -1.874821      3.766579      6.896851
  N      -3.253466      3.619729      6.510190
  H      -1.226018      0.010376      3.720358
  H      -1.486534     -1.172379      5.018953
  H      -0.611810      1.730550      5.187015
  H      -0.168157      0.364340      6.248050
  H      -1.746727      4.588003      7.626051
  H      -1.221069      4.004973      6.027193
  H      -1.979602      2.369034      8.510537
  H      -0.403106      2.327765      7.670703
  H      -4.399230     -0.362266      8.463313
  H      -3.909390      1.304528      8.822502
  H      -2.577305     -0.682232      6.907797
  H      -1.874179      0.051127      8.375379
  C       0.075266     -1.303447     -2.006544
  C      -0.973955     -0.263886     -1.705890
  O      -1.153334      0.672858     -2.482422
  C      -1.818502     -0.361642     -0.464074
  C      -2.853807      0.577875     -0.346804
  C      -3.715929      0.601702      0.743675
  O      -4.692999      1.543031      0.803850
  C      -3.536710     -0.333168      1.802940
  C      -4.434844     -0.278609      2.961006
  O      -5.462575      0.452250      2.931355
  C      -4.015191     -0.859820      4.292492
  C      -2.498187     -1.273114      1.687030
  C      -1.654322     -1.308878      0.578864
  O      -0.653550     -2.243791      0.498093
  C      -9.806060      9.287734      4.757075
  C      -9.705617      7.879788      4.235097
  O     -10.672117      7.411416      3.557578
  C      -8.549054      7.067129      4.533580
  C      -7.429947      7.563666      5.249944
  C      -6.342712      6.772377      5.555890
  O      -5.269748      7.278727      6.250831
  C      -6.313904      5.389706      5.170472
  C      -5.263008      4.484332      5.494859
  O      -5.436555      3.204992      5.263465
  C      -3.900442      4.836258      6.038520
  C      -7.432302      4.896782      4.440134
  C      -8.517165      5.695729      4.120619
  O      -9.567745      5.168378      3.447071
  C     -12.045468      5.924739      6.369988
  C     -10.764752      6.271325      7.090786
  O     -10.626930      7.397294      7.572348
  C      -9.678275      5.248691      7.267324
  C      -8.626704      5.627222      8.112685
  C      -7.571224      4.772869      8.421682
  O      -6.596921      5.210319      9.244404
  C      -7.532150      3.471246      7.835179
  C      -6.375405      2.610766      8.090109
  O      -5.519465      2.947712      8.939213
  C      -6.168626      1.306458      7.306163
  C      -8.581465      3.098670      6.977577
  C      -9.636002      3.952921      6.680695
  O     -10.573531      3.450053      5.810958
  H       0.860307     -1.289161     -1.236391
  H       0.508248     -1.088489     -2.989705
  H      -0.352202     -2.315775     -1.985716
  H      -2.975907      1.305707     -1.149834
  H      -5.245872      1.264762      1.623230
  H      -4.900931     -0.929665      4.945739
  H      -3.534577     -1.852000      4.235588
  H      -2.350067     -2.009445      2.480427
  H      -0.706380     -2.816014      1.285002
  H      -9.873119      9.270056      5.856900
  H      -8.928162      9.890938      4.483382
  H     -10.710067      9.755788      4.352020
  H      -7.428672      8.603448      5.584704
  H      -5.484316      8.192694      6.511689
  H      -3.306495      5.316486      5.224188
  H      -3.957048      5.586130      6.843910
  H      -7.436432      3.853032      4.129638
  H     -10.193652      5.977279      3.314468
  H     -11.878284      5.943916      5.278893
  H     -12.421197      4.929607      6.643893
  H     -12.791020      6.694842      6.598096
  H      -8.651260      6.625969      8.548706
  H      -5.969523      4.418748      9.328528
  H      -6.785436      1.321698      6.400731
  H      -6.554055      0.482137      7.941815
  H      -8.579958      2.129769      6.480534
  H     -10.853000      4.148873      5.191290
  N      -3.300403      2.802739      3.846335
  N      -3.457937      3.515085      2.781699
  H      -3.295724      4.522940      2.802303
  H      -3.817520      3.081303      1.918538
96
Coordinates from ORCA-job orca E -6715.900750669363
  N      -3.091424      0.153552      4.761572
  Mo     -3.768734      2.010394      5.435244
  N      -4.787404      1.065575      6.925103
  C      -3.957490      0.553940      8.011103
  C      -2.552219      0.225166      7.523236
  N      -2.017650      1.344619      6.676882
  C      -1.000899      0.858406      5.706433
  C      -1.678455     -0.111071      4.722158
  C      -1.491115      2.453250      7.532092
  C      -1.880233      3.772878      6.897280
  N      -3.259131      3.622998      6.511483
  H      -1.225634      0.023867      3.716796
  H      -1.481314     -1.163682      5.011764
  H      -0.615135      1.741502      5.182072
  H      -0.164625      0.377676      6.243369
  H      -1.754031      4.594874      7.625989
  H      -1.227759      4.012707      6.027146
  H      -1.983822      2.374126      8.509005
  H      -0.405356      2.336878      7.671470
  H      -4.393371     -0.361020      8.461166
  H      -3.908748      1.306700      8.819446
  H      -2.570860     -0.676578      6.904654
  H      -1.869281      0.058385      8.372383
  C       0.054225     -1.343470     -2.014816
  C      -0.953540     -0.270245     -1.691735
  O      -1.103777      0.683187     -2.453858
  C      -1.804737     -0.363290     -0.454131
  C      -2.807460      0.608585     -0.320903
  C      -3.670367      0.642705      0.768993
  O      -4.606468      1.622447      0.849072
  C      -3.526171     -0.318732      1.810392
  C      -4.425538     -0.258219      2.967246
  O      -5.436415      0.495891      2.945681
  C      -4.014031     -0.854175      4.294682
  C      -2.517691     -1.289022      1.679670
  C      -1.674081     -1.333745      0.571878
  O      -0.705664     -2.300786      0.474701
  C      -9.796481      9.301727      4.752529
  C      -9.702288      7.891763      4.235010
  O     -10.676776      7.420816      3.570406
  C      -8.546897      7.077019      4.530735
  C      -7.419636      7.575246      5.232619
  C      -6.334875      6.781289      5.539606
  O      -5.254773      7.288785      6.222563
  C      -6.315164      5.395030      5.167206
  C      -5.265770      4.488388      5.492445
  O      -5.441593      3.208523      5.266398
  C      -3.901995      4.839300      6.033525
  C      -7.441349      4.900315      4.450018
  C      -8.526049      5.700466      4.133665
  O      -9.590596      5.168193      3.485442
  C     -12.061626      5.890256      6.382455
  C     -10.776340      6.248904      7.088476
  O     -10.639673      7.378264      7.561818
  C      -9.683608      5.232068      7.263967
  C      -8.636910      5.612764      8.113848
  C      -7.580056      4.760664      8.425897
  O      -6.607928      5.201920      9.248852
  C      -7.536915      3.458507      7.840255
  C      -6.376790      2.602137      8.091675
  O      -5.523051      2.936239      8.944351
  C      -6.165939      1.301716      7.302947
  C      -8.582193      3.084322      6.977986
  C      -9.634277      3.938365      6.674029
  O     -10.558917      3.443555      5.785477
  H       0.839418     -1.374178     -1.245448
  H       0.494441     -1.125850     -2.994075
  H      -0.411596     -2.338837     -2.013371
  H      -2.901108      1.356308     -1.109201
  H      -5.157914      1.363599      1.675436
  H      -4.900496     -0.924063      4.946990
  H      -3.534369     -1.846322      4.233030
  H      -2.396228     -2.045164      2.458614
  H      -0.778029     -2.883971      1.251878
  H      -9.855970      9.287570      5.852725
  H      -8.919752      9.902544      4.470560
  H     -10.702628      9.769793      4.352497
  H      -7.409929      8.618603      5.555594
  H      -5.462989      8.206379      6.475537
  H      -3.306336      5.311539      5.215762
  H      -3.955071      5.594051      6.834305
  H      -7.454009      3.852983      4.152587
  H     -10.213149      5.979989      3.347734
  H     -11.905778      5.913701      5.290044
  H     -12.421933      4.889783      6.656608
  H     -12.812716      6.651677      6.620818
  H      -8.665059      6.610831      8.550925
  H      -5.977445      4.411947      9.333224
  H      -6.782867      1.318193      6.397751
  H      -6.549224      0.474157      7.935620
  H      -8.574071      2.117710      6.477019
  H     -10.779300      4.132423      5.130720
  N      -3.308849      2.809499      3.842214
  N      -3.474373      3.522536      2.779283
  H      -3.396027      4.539614      2.820115
  H      -3.824836      3.083535      1.916275
96
Coordinates from ORCA-job orca E -6715.901391775288
  N      -3.104085      0.159546      4.756051
  Mo     -3.772495      2.014569      5.439945
  N      -4.774509      1.063697      6.936937
  C      -3.934460      0.559342      8.017935
  C      -2.534479      0.228352      7.516035
  N      -2.008822      1.346631      6.662410
  C      -1.003631      0.859541      5.680763
  C      -1.692621     -0.112716      4.708153
  C      -1.472179      2.452687      7.513893
  C      -1.872736      3.772092      6.886993
  N      -3.258732      3.621471      6.525845
  H      -1.247478      0.016111      3.698853
  H      -1.497699     -1.164944      4.999981
  H      -0.628728      1.741742      5.147208
  H      -0.158198      0.383252      6.207076
  H      -1.734286      4.594419      7.612968
  H      -1.235850      4.012016      6.005326
  H      -1.953284      2.371475      8.496354
  H      -0.384713      2.337272      7.638786
  H      -4.364520     -0.353158      8.478044
  H      -3.878799      1.316450      8.821995
  H      -2.561747     -0.674058      6.898627
  H      -1.842453      0.062286      8.357633
  C       0.042122     -1.332121     -1.984209
  C      -0.964139     -0.257151     -1.662642
  O      -1.101761      0.703830     -2.417380
  C      -1.823162     -0.353231     -0.430851
  C      -2.825758      0.618845     -0.301109
  C      -3.696969      0.649703      0.782533
  O      -4.639277      1.623088      0.853036
  C      -3.556756     -0.312029      1.824452
  C      -4.448843     -0.241348      2.985895
  O      -5.441400      0.536905      2.977749
  C      -4.036168     -0.847413      4.308591
  C      -2.548630     -1.283129      1.696683
  C      -1.699814     -1.326927      0.593067
  O      -0.731092     -2.293869      0.499243
  C      -9.749742      9.350844      4.761679
  C      -9.673509      7.934874      4.257349
  O     -10.659561      7.466272      3.607810
  C      -8.524182      7.110924      4.550086
  C      -7.382250      7.604691      5.230883
  C      -6.305164      6.800699      5.538391
  O      -5.210310      7.303568      6.200505
  C      -6.306701      5.409419      5.185353
  C      -5.262636      4.495849      5.508976
  O      -5.447829      3.216365      5.291630
  C      -3.893982      4.839293      6.041322
  C      -7.446637      4.919681      4.486529
  C      -8.526105      5.728024      4.174881
  O      -9.613156      5.196081      3.561623
  C     -12.077318      5.803803      6.335408
  C     -10.787819      6.195258      7.014814
  O     -10.651785      7.339911      7.448815
  C      -9.687565      5.190097      7.213142
  C      -8.650052      5.589247      8.064897
  C      -7.593423      4.745387      8.401284
  O      -6.629931      5.205199      9.223585
  C      -7.543768      3.431667      7.841221
  C      -6.377942      2.586433      8.102448
  O      -5.516531      2.942473      8.938377
  C      -6.153454      1.285699      7.319310
  C      -8.583636      3.038368      6.980269
  C      -9.630363      3.887162      6.646996
  O     -10.535060      3.389265      5.739435
  H       0.820431     -1.369417     -1.208233
  H       0.491500     -1.109899     -2.958138
  H      -0.426741     -2.325836     -1.992557
  H      -2.915619      1.367110     -1.089172
  H      -5.207323      1.353366      1.663806
  H      -4.916682     -0.910956      4.969621
  H      -3.561383     -1.841068      4.242099
  H      -2.428440     -2.038252      2.476575
  H      -0.807054     -2.878100      1.275195
  H      -9.799129      9.349021      5.861901
  H      -8.870350      9.940553      4.465446
  H     -10.655241      9.823274      4.365583
  H      -7.354459      8.652822      5.536405
  H      -5.402249      8.228086      6.440671
  H      -3.297503      5.298330      5.216469
  H      -3.936099      5.601456      6.835366
  H      -7.476988      3.868145      4.206281
  H     -10.224356      6.015165      3.411418
  H     -11.935741      5.810535      5.241592
  H     -12.414853      4.801388      6.628729
  H     -12.836834      6.557492      6.571635
  H      -8.684348      6.594318      8.484981
  H      -5.999179      4.417432      9.330893
  H      -6.773899      1.288899      6.416699
  H      -6.524662      0.457222      7.957870
  H      -8.566568      2.065327      6.493084
  H     -10.651710      4.039257      5.017858
  N      -3.326155      2.824436      3.849186
  N      -3.500382      3.545185      2.792523
  H      -3.469176      4.564171      2.851867
  H      -3.893301      3.114157      1.945152
96
Coordinates from ORCA-job orca E -6715.901935355568
  N      -3.086121      0.155835      4.776938
  Mo     -3.766428      2.003072      5.460211
  N      -4.769551      1.043382      6.950131
  C      -3.929380      0.546979      8.034847
  C      -2.526147      0.222266      7.538120
  N      -2.002457      1.344152      6.687818
  C      -0.991402      0.864980      5.708020
  C      -1.673127     -0.110859      4.733657
  C      -1.474702      2.450943      7.543994
  C      -1.885741      3.769398      6.922664
  N      -3.270930      3.609812      6.559606
  H      -1.226876      0.020914      3.725426
  H      -1.473819     -1.162007      5.025324
  H      -0.622734      1.750387      5.175299
  H      -0.142999      0.394449      6.234930
  H      -1.754507      4.590041      7.652016
  H      -1.250011      4.017757      6.042403
  H      -1.954912      2.361728      8.526342
  H      -0.386419      2.343459      7.668767
  H      -4.356842     -0.365828      8.496638
  H      -3.879024      1.306814      8.837162
  H      -2.545971     -0.680834      6.921696
  H      -1.836835      0.060507      8.382914
  C      -0.026125     -1.243629     -2.014889
  C      -1.056757     -0.196375     -1.679385
  O      -1.218306      0.769922     -2.422405
  C      -1.892517     -0.313433     -0.433172
  C      -2.914701      0.635019     -0.285240
  C      -3.768730      0.643837      0.812784
  O      -4.738979      1.587712      0.896563
  C      -3.587305     -0.313934      1.850965
  C      -4.455824     -0.255488      3.030137
  O      -5.461773      0.505479      3.040431
  C      -4.014855     -0.862019      4.344539
  C      -2.560651     -1.262712      1.704721
  C      -1.729696     -1.285812      0.586991
  O      -0.741059     -2.230291      0.475161
  C      -9.749315      9.326248      4.652151
  C      -9.649426      7.911125      4.149327
  O     -10.609478      7.439412      3.463866
  C      -8.505463      7.091523      4.474096
  C      -7.382692      7.585872      5.186058
  C      -6.315008      6.781067      5.524748
  O      -5.239745      7.283208      6.218057
  C      -6.305937      5.389721      5.171618
  C      -5.265870      4.478430      5.515539
  O      -5.446002      3.198076      5.300893
  C      -3.904820      4.825412      6.067034
  C      -7.428311      4.899957      4.443445
  C      -8.498083      5.708682      4.103776
  O      -9.575255      5.178082      3.465374
  C     -12.039017      5.823555      6.363111
  C     -10.745500      6.212990      7.034459
  O     -10.604518      7.353564      7.476383
  C      -9.647205      5.203237      7.221392
  C      -8.622746      5.574827      8.100045
  C      -7.579679      4.713732      8.435742
  O      -6.623611      5.147685      9.280247
  C      -7.536873      3.408628      7.855970
  C      -6.381921      2.550053      8.122555
  O      -5.532962      2.890786      8.976698
  C      -6.151109      1.258421      7.325777
  C      -8.563688      3.044634      6.967001
  C      -9.588598      3.916047      6.622967
  O     -10.466150      3.466796      5.664535
  H       0.761053     -1.264847     -1.247011
  H       0.408035     -1.005856     -2.992138
  H      -0.470257     -2.248764     -2.022922
  H      -3.036166      1.381252     -1.071167
  H      -5.288088      1.300809      1.713303
  H      -4.883690     -0.935152      5.019656
  H      -3.530725     -1.850110      4.269118
  H      -2.409186     -2.014470      2.482552
  H      -0.789003     -2.815969      1.252328
  H      -9.838552      9.324122      5.749563
  H      -8.861733      9.919611      4.388612
  H     -10.641808      9.795672      4.224077
  H      -7.362630      8.634774      5.489899
  H      -5.438247      8.207640      6.453654
  H      -3.298968      5.286097      5.249781
  H      -3.958417      5.588490      6.859523
  H      -7.451660      3.848261      4.162436
  H     -10.169367      6.003879      3.279142
  H     -11.914515      5.862863      5.269554
  H     -12.355258      4.806775      6.627555
  H     -12.804811      6.559542      6.634382
  H      -8.656893      6.570273      8.543120
  H      -6.003188      4.352304      9.382500
  H      -6.763966      1.269951      6.418264
  H      -6.525344      0.423239      7.953893
  H      -8.546998      2.082595      6.458593
  H     -10.445703      4.091499      4.905798
  N      -3.311944      2.822843      3.876501
  N      -3.478448      3.546184      2.817756
  H      -3.467061      4.566695      2.880676
  H      -3.886324      3.115804      1.976700
96
Coordinates from ORCA-job orca E -6715.901702769490
  N      -3.058857      0.160740      4.819846
  Mo     -3.734599      2.007128      5.504029
  N      -4.739553      1.050267      6.992608
  C      -3.902026      0.564939      8.084136
  C      -2.499583      0.231711      7.588886
  N      -1.970959      1.347177      6.732251
  C      -0.961859      0.861414      5.753473
  C      -1.647040     -0.113908      4.781025
  C      -1.437179      2.455701      7.582954
  C      -1.847129      3.772820      6.958906
  N      -3.235379      3.616032      6.604072
  H      -1.198904      0.011424      3.772844
  H      -1.454332     -1.164725      5.077193
  H      -0.590201      1.744328      5.218460
  H      -0.114705      0.388944      6.280630
  H      -1.709007      4.596300      7.683934
  H      -1.216014      4.015336      6.073693
  H      -1.914115      2.371110      8.567411
  H      -0.348800      2.345610      7.704362
  H      -4.331828     -0.343319      8.552799
  H      -3.850800      1.331380      8.880248
  H      -2.524085     -0.674790      6.977549
  H      -1.810369      0.071287      8.434065
  C      -0.178064     -1.202189     -2.090816
  C      -1.199690     -0.158475     -1.718620
  O      -1.385630      0.811209     -2.451487
  C      -1.995778     -0.282401     -0.447156
  C      -3.015644      0.662305     -0.264541
  C      -3.834441      0.665688      0.860059
  O      -4.801933      1.608856      0.979582
  C      -3.620004     -0.296038      1.887620
  C      -4.458094     -0.245007      3.088937
  O      -5.483120      0.490628      3.118095
  C      -3.991687     -0.857857      4.392534
  C      -2.595609     -1.241353      1.707002
  C      -1.798238     -1.257310      0.564843
  O      -0.810344     -2.197877      0.419892
  C      -9.707080      9.342568      4.675044
  C      -9.624525      7.912776      4.212282
  O     -10.598702      7.428878      3.555575
  C      -8.475770      7.096839      4.530746
  C      -7.335166      7.600932      5.206870
  C      -6.263665      6.797845      5.539580
  O      -5.173509      7.308335      6.202353
  C      -6.264295      5.400885      5.208927
  C      -5.224298      4.489504      5.550929
  O      -5.410761      3.209188      5.343239
  C      -3.862018      4.832712      6.102169
  C      -7.404355      4.902382      4.514844
  C      -8.481488      5.706261      4.193413
  O      -9.585255      5.163362      3.605459
  C     -12.033481      5.734885      6.151663
  C     -10.771599      6.149494      6.864767
  O     -10.656685      7.295856      7.296787
  C      -9.666515      5.155480      7.097283
  C      -8.671062      5.549322      7.997563
  C      -7.623887      4.705185      8.364810
  O      -6.690107      5.162172      9.221198
  C      -7.553988      3.392860      7.805027
  C      -6.395411      2.551806      8.113262
  O      -5.572933      2.917187      8.982606
  C      -6.129445      1.249956      7.344877
  C      -8.556623      3.005934      6.897498
  C      -9.579632      3.863898      6.514125
  O     -10.437650      3.404017      5.540457
  H       0.634549     -1.222842     -1.349847
  H       0.222625     -0.961009     -3.081532
  H      -0.619537     -2.208631     -2.086195
  H      -3.162611      1.412000     -1.042938
  H      -5.315417      1.325612      1.820267
  H      -4.849479     -0.938370      5.080427
  H      -3.504720     -1.843111      4.304830
  H      -2.418893     -1.995913      2.476978
  H      -0.832542     -2.786496      1.196065
  H      -9.773203      9.375377      5.773211
  H      -8.822096      9.922937      4.375680
  H     -10.605927      9.804036      4.251455
  H      -7.304997      8.655682      5.489211
  H      -5.362812      8.238470      6.422860
  H      -3.251121      5.285353      5.284254
  H      -3.912561      5.600534      6.890370
  H      -7.438648      3.844823      4.256893
  H     -10.180212      5.991831      3.414054
  H     -11.873770      5.784317      5.064231
  H     -12.329570      4.706748      6.392553
  H     -12.824480      6.450557      6.405801
  H      -8.726770      6.549736      8.427777
  H      -6.054616      4.380865      9.336441
  H      -6.726643      1.235736      6.427010
  H      -6.502160      0.419657      7.980791
  H      -8.520823      2.035759      6.405709
  H     -10.332534      3.978537      4.742937
  N      -3.271020      2.828508      3.924254
  N      -3.425790      3.553822      2.863571
  H      -3.408960      4.575078      2.925278
  H      -3.842817      3.126191      2.023624
96
Coordinates from ORCA-job orca E -6715.902343163625
  N      -3.065446      0.178010      4.773333
  Mo     -3.737938      2.025373      5.459541
  N      -4.761987      1.072653      6.940548
  C      -3.930418      0.584324      8.035670
  C      -2.529186      0.239629      7.547701
  N      -1.985484      1.353166      6.699053
  C      -0.971938      0.862485      5.727453
  C      -1.655373     -0.106899      4.748109
  C      -1.449639      2.459057      7.553459
  C      -1.851035      3.780599      6.931934
  N      -3.237124      3.631158      6.565369
  H      -1.196344      0.014540      3.743939
  H      -1.473820     -1.158983      5.047228
  H      -0.588100      1.744046      5.198687
  H      -0.133635      0.382110      6.261566
  H      -1.714964      4.600267      7.661743
  H      -1.213467      4.024745      6.051954
  H      -1.927065      2.372609      8.537541
  H      -0.361843      2.344645      7.676843
  H      -4.369818     -0.318316      8.506471
  H      -3.874677      1.353892      8.827972
  H      -2.556924     -0.664941      6.933589
  H      -1.846959      0.070193      8.397051
  C      -0.064270     -1.333364     -2.055925
  C      -1.059819     -0.256543     -1.708059
  O      -1.218091      0.702768     -2.461013
  C      -1.890995     -0.353331     -0.456410
  C      -2.898556      0.610766     -0.310582
  C      -3.745790      0.641909      0.792374
  O      -4.695080      1.608132      0.875037
  C      -3.574736     -0.312362      1.836125
  C      -4.441376     -0.241977      3.017040
  O      -5.450599      0.515665      3.022342
  C      -3.999665     -0.836663      4.336244
  C      -2.562977     -1.277274      1.691366
  C      -1.737326     -1.320402      0.570138
  O      -0.763811     -2.280675      0.460091
  C      -9.762351      9.319186      4.710156
  C      -9.657119      7.904577      4.210817
  O     -10.617710      7.426590      3.530106
  C      -8.498595      7.098325      4.518876
  C      -7.370421      7.604337      5.214136
  C      -6.287021      6.811545      5.533158
  O      -5.213359      7.323482      6.221812
  C      -6.262216      5.423173      5.166896
  C      -5.221225      4.512630      5.507200
  O      -5.405834      3.233182      5.285477
  C      -3.863656      4.852677      6.072807
  C      -7.387118      4.924997      4.448203
  C      -8.476127      5.718486      4.143015
  O      -9.567578      5.171539      3.535809
  C     -12.089110      5.795077      6.326973
  C     -10.814028      6.187184      7.029325
  O     -10.689264      7.322880      7.489205
  C      -9.705770      5.185856      7.215829
  C      -8.697816      5.553784      8.113930
  C      -7.640506      4.702966      8.435243
  O      -6.702998      5.130298      9.302859
  C      -7.566840      3.415063      7.821061
  C      -6.406088      2.563848      8.094804
  O      -5.589462      2.889764      8.985605
  C      -6.152681      1.278151      7.294344
  C      -8.578845      3.056676      6.912812
  C      -9.620249      3.915621      6.584130
  O     -10.506953      3.473800      5.627182
  H       0.741674     -1.365881     -1.308114
  H       0.351199     -1.117837     -3.046609
  H      -0.533346     -2.327366     -2.040753
  H      -3.011151      1.355038     -1.100041
  H      -5.235901      1.349908      1.707723
  H      -4.869373     -0.904435      5.010443
  H      -3.519120     -1.826973      4.267279
  H      -2.421279     -2.027804      2.472921
  H      -0.815951     -2.859601      1.242228
  H      -9.841155      9.317837      5.809429
  H      -8.881082      9.918281      4.437576
  H     -10.662054      9.781488      4.289001
  H      -7.360871      8.651568      5.525128
  H      -5.423039      8.243100      6.466934
  H      -3.248447      5.317055      5.265150
  H      -3.921798      5.610819      6.870160
  H      -7.402104      3.873612      4.163595
  H     -10.196443      5.990395      3.402918
  H     -11.954082      5.887651      5.238259
  H     -12.375437      4.756351      6.532146
  H     -12.877712      6.495363      6.627924
  H      -8.754383      6.536923      8.582516
  H      -6.064759      4.347124      9.385045
  H      -6.750451      1.290731      6.376497
  H      -6.530690      0.436734      7.912469
  H      -8.548308      2.102304      6.389346
  H     -10.455814      4.084475      4.851129
  N      -3.256744      2.848724      3.885291
  N      -3.401656      3.576928      2.825057
  H      -3.399890      4.597047      2.898795
  H      -3.845677      3.157137      1.993953
96
Coordinates from ORCA-job orca E -6715.901122307761
  N      -3.102437      0.113111      4.778231
  Mo     -3.777639      1.964864      5.446668
  N      -4.789759      1.029852      6.946253
  C      -3.949209      0.552222      8.038744
  C      -2.550564      0.206308      7.544619
  N      -2.016371      1.313732      6.682143
  C      -1.007114      0.815708      5.709780
  C      -1.692177     -0.168911      4.747578
  C      -1.481040      2.431130      7.521299
  C      -1.893600      3.743787      6.887349
  N      -3.282264      3.584433      6.535896
  H      -1.238912     -0.058048      3.739595
  H      -1.505545     -1.216937      5.058135
  H      -0.632673      1.692422      5.166768
  H      -0.162206      0.347097      6.243594
  H      -1.754158      4.572524      7.605937
  H      -1.265058      3.979900      5.998684
  H      -1.952290      2.353638      8.508975
  H      -0.392037      2.323630      7.638900
  H      -4.383265     -0.345380      8.523316
  H      -3.888452      1.330537      8.822301
  H      -2.580283     -0.703643      6.938286
  H      -1.862537      0.046473      8.390820
  C       0.001782     -1.129322     -1.984299
  C      -1.006906     -0.073436     -1.611629
  O      -1.149262      0.920808     -2.320863
  C      -1.864811     -0.230107     -0.384749
  C      -2.880873      0.721608     -0.218056
  C      -3.754365      0.696343      0.864253
  O      -4.714973      1.648711      0.967381
  C      -3.598584     -0.301881      1.868226
  C      -4.480014     -0.277454      3.038668
  O      -5.470333      0.503165      3.069111
  C      -4.037113     -0.899063      4.343708
  C      -2.576926     -1.253073      1.704115
  C      -1.727804     -1.242013      0.599963
  O      -0.744825     -2.189734      0.468537
  C      -9.806241      9.229707      4.556902
  C      -9.707366      7.801657      4.095528
  O     -10.694997      7.291986      3.479046
  C      -8.544914      7.004849      4.410825
  C      -7.420469      7.525721      5.101493
  C      -6.339931      6.739915      5.445429
  O      -5.268199      7.264836      6.127064
  C      -6.314877      5.344086      5.112970
  C      -5.271524      4.443489      5.469712
  O      -5.452413      3.161058      5.267579
  C      -3.913401      4.796118      6.025101
  C      -7.433210      4.830370      4.395316
  C      -8.516958      5.617664      4.058447
  O      -9.588646      5.060180      3.426795
  C     -11.986052      5.960424      6.459981
  C     -10.678116      6.311979      7.122183
  O     -10.508674      7.441294      7.582986
  C      -9.598118      5.275956      7.288956
  C      -8.575600      5.606366      8.184496
  C      -7.543871      4.721572      8.495728
  O      -6.595703      5.114750      9.367571
  C      -7.511864      3.435635      7.871283
  C      -6.376039      2.546751      8.128062
  O      -5.517601      2.857131      8.984642
  C      -6.170064      1.257516      7.321550
  C      -8.535642      3.117353      6.960840
  C      -9.549886      4.011095      6.641942
  O     -10.433861      3.619626      5.662209
  H       0.788444     -1.193642     -1.218414
  H       0.441166     -0.866185     -2.952666
  H      -0.462626     -2.124377     -2.027484
  H      -2.981510      1.499307     -0.975878
  H      -5.288110      1.334089      1.756692
  H      -4.903335     -0.974696      5.022200
  H      -3.555933     -1.887532      4.256603
  H      -2.444331     -2.034008      2.456422
  H      -0.809034     -2.803366      1.222609
  H      -9.849181      9.260977      5.657080
  H      -8.938677      9.825408      4.238147
  H     -10.722115      9.674109      4.152184
  H      -7.413455      8.578650      5.391727
  H      -5.475726      8.190637      6.348897
  H      -3.301675      5.247328      5.207372
  H      -3.971586      5.568065      6.809111
  H      -7.441509      3.775519      4.125667
  H     -10.196234      5.879979      3.226425
  H     -11.881908      6.057706      5.367690
  H     -12.295192      4.929025      6.667349
  H     -12.744068      6.680774      6.789617
  H      -8.601724      6.585457      8.663254
  H      -5.990151      4.305547      9.458235
  H      -6.785498      1.280458      6.415673
  H      -6.551123      0.425073      7.949109
  H      -8.529662      2.171261      6.422073
  H     -10.306726      4.215531      4.882831
  N      -3.308902      2.772034      3.861291
  N      -3.459730      3.485559      2.792315
  H      -3.483748      4.505628      2.855377
  H      -3.870367      3.047001      1.956307
96
Coordinates from ORCA-job orca E -6715.902589565236
  N      -3.058489      0.174160      4.795585
  Mo     -3.725506      2.023161      5.476141
  N      -4.757919      1.074013      6.952946
  C      -3.929237      0.587652      8.050875
  C      -2.526887      0.239303      7.567486
  N      -1.977557      1.349337      6.718395
  C      -0.964827      0.853485      5.748169
  C      -1.650112     -0.117274      4.771753
  C      -1.439252      2.454582      7.571006
  C      -1.838701      3.775988      6.948226
  N      -3.225820      3.629806      6.585564
  H      -1.189747     -0.001082      3.767520
  H      -1.472676     -1.168842      5.075189
  H      -0.579686      1.732762      5.216898
  H      -0.127558      0.373161      6.283641
  H      -1.698965      4.595470      7.677436
  H      -1.202168      4.018135      6.066894
  H      -1.914725      2.370152      8.556161
  H      -0.351535      2.338620      7.692787
  H      -4.370542     -0.313271      8.522698
  H      -3.874178      1.359070      8.841403
  H      -2.553707     -0.666835      6.955414
  H      -1.848516      0.070333      8.419843
  C      -0.130995     -1.298462     -2.075516
  C      -1.114551     -0.217338     -1.708092
  O      -1.262957      0.757027     -2.443173
  C      -1.932071     -0.319348     -0.448266
  C      -2.927358      0.653631     -0.279215
  C      -3.762833      0.678139      0.832599
  O      -4.700726      1.652773      0.940838
  C      -3.590636     -0.290686      1.861176
  C      -4.446131     -0.224781      3.049489
  O      -5.446956      0.542881      3.069711
  C      -3.997459     -0.834343      4.359334
  C      -2.589721     -1.263238      1.695072
  C      -1.776696     -1.300512      0.564545
  O      -0.813978     -2.268317      0.431420
  C      -9.717006      9.331597      4.701047
  C      -9.627182      7.909835      4.218785
  O     -10.621612      7.411438      3.604127
  C      -8.462892      7.106048      4.508173
  C      -7.321959      7.615887      5.179847
  C      -6.240858      6.820425      5.499283
  O      -5.151108      7.334360      6.160043
  C      -6.232365      5.425918      5.160437
  C      -5.197737      4.513021      5.509413
  O      -5.388805      3.233317      5.296906
  C      -3.840911      4.849946      6.076700
  C      -7.364666      4.925513      4.455270
  C      -8.448599      5.722259      4.145611
  O      -9.542339      5.172600      3.542270
  C     -12.146970      5.719880      6.337768
  C     -10.847204      6.144914      6.971610
  O     -10.711513      7.298986      7.379105
  C      -9.730155      5.154751      7.169479
  C      -8.724600      5.544511      8.060809
  C      -7.661737      4.706484      8.396340
  O      -6.733342      5.153179      9.264034
  C      -7.575925      3.411162      7.798187
  C      -6.411413      2.569232      8.085251
  O      -5.586305      2.916657      8.959600
  C      -6.150500      1.277142      7.298789
  C      -8.583340      3.033503      6.892207
  C      -9.633398      3.877644      6.552907
  O     -10.508372      3.427683      5.589730
  H       0.677852     -1.350221     -1.332065
  H       0.282414     -1.072914     -3.064620
  H      -0.610385     -2.287389     -2.072573
  H      -3.040991      1.409219     -1.057363
  H      -5.233381      1.388121      1.774777
  H      -4.862605     -0.904814      5.039677
  H      -3.520169     -1.824993      4.276692
  H      -2.447249     -2.023989      2.466034
  H      -0.861881     -2.856350      1.206838
  H      -9.749911      9.348321      5.802148
  H      -8.849968      9.928495      4.382797
  H     -10.634802      9.784792      4.310648
  H      -7.302063      8.667278      5.474991
  H      -5.347123      8.260310      6.391634
  H      -3.219013      5.302680      5.267552
  H      -3.899655      5.616779      6.866022
  H      -7.387470      3.871453      4.183238
  H     -10.158343      5.993678      3.379277
  H     -12.057809      5.778787      5.241609
  H     -12.414058      4.685812      6.585753
  H     -12.928319      6.423078      6.650132
  H      -8.791029      6.532251      8.517615
  H      -6.094013      4.373183      9.367896
  H      -6.744450      1.278779      6.378497
  H      -6.527668      0.440817      7.923508
  H      -8.541660      2.074517      6.378207
  H     -10.394442      3.993384      4.782739
  N      -3.235620      2.844118      3.905090
  N      -3.369004      3.570494      2.841508
  H      -3.395694      4.590229      2.915847
  H      -3.760356      3.140287      1.990908
96
Coordinates from ORCA-job orca E -6715.901843070702
  N      -3.066415      0.188738      4.778858
  Mo     -3.746654      2.026925      5.476921
  N      -4.758654      1.059423      6.955476
  C      -3.917952      0.577429      8.046441
  C      -2.516821      0.242366      7.551058
  N      -1.983067      1.361701      6.703910
  C      -0.972032      0.879509      5.725694
  C      -1.655391     -0.091548      4.748383
  C      -1.449142      2.467386      7.559144
  C      -1.865926      3.788337      6.947009
  N      -3.254604      3.631032      6.593803
  H      -1.200806      0.032929      3.742774
  H      -1.468528     -1.143224      5.045687
  H      -0.596699      1.764591      5.196952
  H      -0.127935      0.402811      6.253963
  H      -1.728268      4.605501      7.679398
  H      -1.238716      4.040838      6.061928
  H      -1.916692      2.372611      8.547172
  H      -0.359409      2.361359      7.672306
  H      -4.348042     -0.328130      8.519883
  H      -3.862963      1.347690      8.838514
  H      -2.541958     -0.660274      6.933896
  H      -1.830547      0.073430      8.397203
  C      -0.094069     -1.337873     -2.070546
  C      -1.082957     -0.256173     -1.719049
  O      -1.226835      0.712668     -2.462455
  C      -1.907603     -0.347540     -0.462885
  C      -2.908909      0.622145     -0.311963
  C      -3.751908      0.656058      0.794108
  O      -4.697576      1.624931      0.880750
  C      -3.581141     -0.298856      1.836723
  C      -4.441207     -0.222761      3.022395
  O      -5.447306      0.538606      3.032330
  C      -3.997813     -0.825533      4.338002
  C      -2.574515     -1.268661      1.687604
  C      -1.753852     -1.315386      0.562925
  O      -0.784303     -2.279042      0.448606
  C      -9.734990      9.345651      4.653283
  C      -9.644498      7.919561      4.183002
  O     -10.588828      7.450356      3.473779
  C      -8.502606      7.102589      4.520322
  C      -7.369747      7.606309      5.209391
  C      -6.294474      6.806986      5.538431
  O      -5.205367      7.319726      6.201825
  C      -6.284764      5.413203      5.195743
  C      -5.243353      4.503836      5.537308
  O      -5.423725      3.223462      5.317450
  C      -3.885507      4.848876      6.097958
  C      -7.417030      4.914565      4.487618
  C      -8.497114      5.715576      4.171913
  O      -9.598707      5.170761      3.578117
  C     -12.062092      5.775681      6.304775
  C     -10.784764      6.173643      6.997489
  O     -10.642780      7.321656      7.416880
  C      -9.686658      5.166034      7.208374
  C      -8.691367      5.527471      8.122094
  C      -7.641165      4.670822      8.452116
  O      -6.710486      5.090193      9.330852
  C      -7.563573      3.387102      7.831568
  C      -6.408482      2.533751      8.115400
  O      -5.590659      2.866267      9.002284
  C      -6.148392      1.252053      7.312442
  C      -8.563755      3.036842      6.907051
  C      -9.598341      3.900330      6.571094
  O     -10.470626      3.484930      5.589741
  H       0.711437     -1.379188     -1.322733
  H       0.323310     -1.121148     -3.060081
  H      -0.569995     -2.328505     -2.059756
  H      -3.022128      1.366767     -1.100847
  H      -5.239401      1.363954      1.710715
  H      -4.866002     -0.900915      5.013762
  H      -3.513971     -1.813271      4.259994
  H      -2.432355     -2.019139      2.468774
  H      -0.833991     -2.857234      1.231360
  H      -9.843717      9.368282      5.749123
  H      -8.834645      9.921866      4.393933
  H     -10.613372      9.817352      4.199198
  H      -7.344361      8.660184      5.495789
  H      -5.399526      8.247112      6.429508
  H      -3.272178      5.311749      5.288124
  H      -3.945432      5.610165      6.892380
  H      -7.442859      3.859644      4.218711
  H     -10.228648      5.990651      3.462788
  H     -11.924242      5.853555      5.215315
  H     -12.349113      4.739443      6.520426
  H     -12.847992      6.482004      6.597944
  H      -8.748495      6.509649      8.592347
  H      -6.072198      4.306760      9.410444
  H      -6.747119      1.262831      6.395313
  H      -6.519262      0.406753      7.929274
  H      -8.525549      2.088132      6.374273
  H     -10.333385      4.066610      4.800303
  N      -3.275444      2.864746      3.909072
  N      -3.426485      3.599390      2.853611
  H      -3.462193      4.618221      2.938402
  H      -3.842684      3.174726      2.012010
96
Coordinates from ORCA-job orca E -6715.902879060745
  N      -3.069371      0.179555      4.778367
  Mo     -3.738160      2.025137      5.466044
  N      -4.765384      1.073603      6.945491
  C      -3.931701      0.593430      8.042408
  C      -2.531812      0.243541      7.554142
  N      -1.984778      1.352835      6.702597
  C      -0.974222      0.856252      5.730767
  C      -1.661356     -0.115138      4.756987
  C      -1.444126      2.459497      7.552365
  C      -1.850383      3.780386      6.932762
  N      -3.239632      3.631799      6.578809
  H      -1.199858     -0.003095      3.752932
  H      -1.486542     -1.166350      5.063496
  H      -0.589933      1.735180      5.198229
  H      -0.135933      0.376024      6.264906
  H      -1.707136      4.599880      7.661461
  H      -1.220239      4.023867      6.047173
  H      -1.912872      2.373256      8.540624
  H      -0.355314      2.346358      7.667259
  H      -4.370403     -0.305163      8.521130
  H      -3.872969      1.369254      8.828581
  H      -2.562360     -0.662518      6.942195
  H      -1.850497      0.073598      8.404054
  C      -0.079322     -1.345174     -2.062390
  C      -1.055452     -0.253363     -1.706734
  O      -1.190205      0.718539     -2.447794
  C      -1.887313     -0.344445     -0.455420
  C      -2.881455      0.632679     -0.304510
  C      -3.729716      0.667360      0.797340
  O      -4.667341      1.644279      0.885910
  C      -3.572464     -0.294732      1.835061
  C      -4.439333     -0.217488      3.015089
  O      -5.438586      0.552583      3.021176
  C      -4.007790     -0.825346      4.331761
  C      -2.572867     -1.271782      1.686570
  C      -1.746747     -1.319083      0.565896
  O      -0.784517     -2.289819      0.451298
  C      -9.747196      9.324606      4.701075
  C      -9.660912      7.897983      4.233116
  O     -10.648170      7.401407      3.605869
  C      -8.494907      7.096902      4.522490
  C      -7.352438      7.609435      5.189200
  C      -6.267767      6.816819      5.503568
  O      -5.175056      7.335274      6.156412
  C      -6.257144      5.421823      5.165221
  C      -5.217728      4.511436      5.508555
  O      -5.404910      3.231170      5.292954
  C      -3.860536      4.851119      6.073647
  C      -7.392621      4.918302      4.466665
  C      -8.480223      5.712912      4.163223
  O      -9.577430      5.162990      3.565914
  C     -12.114496      5.769259      6.350888
  C     -10.825250      6.174132      7.017998
  O     -10.685719      7.321647      7.441751
  C      -9.717925      5.172812      7.214073
  C      -8.717453      5.540712      8.119785
  C      -7.657058      4.692891      8.439821
  O      -6.727065      5.118967      9.315848
  C      -7.572245      3.410955      7.814589
  C      -6.413107      2.559945      8.094262
  O      -5.596628      2.887393      8.984348
  C      -6.156699      1.274079      7.296337
  C      -8.576105      3.055412      6.895943
  C      -9.622595      3.909182      6.571278
  O     -10.500040      3.485087      5.598406
  H       0.725583     -1.398614     -1.314784
  H       0.340739     -1.129495     -3.050985
  H      -0.566676     -2.330265     -2.055393
  H      -2.984292      1.382778     -1.089553
  H      -5.216317      1.382213      1.710416
  H      -4.880272     -0.892978      5.002919
  H      -3.532833     -1.817579      4.255223
  H      -2.441077     -2.027314      2.464632
  H      -0.842925     -2.872117      1.230368
  H      -9.785229      9.351104      5.801960
  H      -8.876241      9.915249      4.381385
  H     -10.661428      9.777769      4.302238
  H      -7.333014      8.661491      5.482329
  H      -5.371701      8.261573      6.386311
  H      -3.241125      5.307186      5.264552
  H      -3.920146      5.616183      6.864549
  H      -7.414295      3.863999      4.195079
  H     -10.200056      5.983438      3.421060
  H     -12.001768      5.853430      5.258709
  H     -12.389725      4.730248      6.567740
  H     -12.899057      6.468328      6.664450
  H      -8.780384      6.520631      8.593893
  H      -6.082600      4.339979      9.393364
  H      -6.753032      1.283268      6.377643
  H      -6.532401      0.433003      7.915867
  H      -8.534728      2.107568      6.361708
  H     -10.381969      4.070579      4.806949
  N      -3.250363      2.853311      3.898521
  N      -3.386981      3.583672      2.838162
  H      -3.415318      4.602773      2.920720
  H      -3.815918      3.161942      2.001386
96
Coordinates from ORCA-job orca E -6715.902185500163
  N      -3.073083      0.127344      4.829324
  Mo     -3.735305      1.980788      5.495856
  N      -4.759005      1.048760      6.990401
  C      -3.918884      0.579325      8.087425
  C      -2.521186      0.222980      7.597090
  N      -1.976296      1.321765      6.731050
  C      -0.971346      0.813892      5.758338
  C      -1.664949     -0.164205      4.794952
  C      -1.430176      2.437550      7.565079
  C      -1.838012      3.752504      6.933790
  N      -3.227878      3.602090      6.584055
  H      -1.213196     -0.056141      3.785951
  H      -1.484676     -1.213237      5.105848
  H      -0.586574      1.687626      5.217731
  H      -0.132397      0.335621      6.293126
  H      -1.692864      4.578045      7.655302
  H      -1.209400      3.988184      6.045067
  H      -1.891375      2.361823      8.557761
  H      -0.340659      2.325122      7.674273
  H      -4.356134     -0.313815      8.577497
  H      -3.854863      1.363341      8.864871
  H      -2.552532     -0.690963      6.996977
  H      -1.837499      0.063462      8.447242
  C      -0.170184     -1.101484     -2.072137
  C      -1.166784     -0.046745     -1.665266
  O      -1.339260      0.944053     -2.372614
  C      -1.979067     -0.202356     -0.407372
  C      -2.994113      0.744308     -0.208736
  C      -3.827524      0.718338      0.904563
  O      -4.787911      1.667486      1.042044
  C      -3.632959     -0.276451      1.903916
  C      -4.485440     -0.258648      3.096228
  O      -5.495786      0.494792      3.139395
  C      -4.014292     -0.878824      4.392968
  C      -2.611973     -1.222477      1.708596
  C      -1.800775     -1.209325      0.576126
  O      -0.817502     -2.151600      0.413428
  C      -9.678912      9.310383      4.550318
  C      -9.604884      7.873271      4.113566
  O     -10.587826      7.378528      3.478094
  C      -8.455052      7.062726      4.440566
  C      -7.315752      7.576847      5.111831
  C      -6.241863      6.780660      5.452854
  O      -5.148160      7.302556      6.101409
  C      -6.240697      5.379183      5.142809
  C      -5.207410      4.469790      5.505871
  O      -5.398854      3.186152      5.311955
  C      -3.848440      4.814856      6.064139
  C      -7.374060      4.871875      4.443009
  C      -8.449349      5.671255      4.109594
  O      -9.541671      5.119610      3.504454
  C     -12.085971      5.759054      6.318251
  C     -10.783709      6.171342      6.954794
  O     -10.626844      7.331355      7.336845
  C      -9.687765      5.164148      7.180675
  C      -8.682591      5.550216      8.073836
  C      -7.630083      4.702901      8.418865
  O      -6.702323      5.143429      9.290309
  C      -7.553520      3.404415      7.826672
  C      -6.398109      2.553657      8.122903
  O      -5.566426      2.905062      8.989327
  C      -6.148250      1.253508      7.346585
  C      -8.562014      3.030465      6.920837
  C      -9.605462      3.880347      6.576150
  O     -10.492537      3.431910      5.623827
  H       0.647114     -1.162187     -1.338718
  H       0.229754     -0.841864     -3.058514
  H      -0.634643     -2.097472     -2.092789
  H      -3.125624      1.519707     -0.964327
  H      -5.320537      1.358932      1.860542
  H      -4.870592     -0.960376      5.083297
  H      -3.534309     -1.866783      4.293532
  H      -2.451361     -2.001176      2.457831
  H      -0.849849     -2.762086      1.172163
  H      -9.737514      9.361640      5.649334
  H      -8.792891      9.880644      4.235238
  H     -10.578164      9.768568      4.124106
  H      -7.287908      8.634921      5.381781
  H      -5.338020      8.234746      6.312358
  H      -3.230388      5.260703      5.248430
  H      -3.906714      5.590515      6.845066
  H      -7.401802      3.813149      4.190022
  H     -10.160828      5.940857      3.345212
  H     -11.989314      5.812447      5.222255
  H     -12.366941      4.729004      6.567869
  H     -12.860030      6.473047      6.624509
  H      -8.738553      6.543223      8.520774
  H      -6.074032      4.356007      9.404363
  H      -6.750001      1.248210      6.431364
  H      -6.519417      0.423248      7.982887
  H      -8.528793      2.067406      6.413525
  H     -10.371184      3.986756      4.809783
  N      -3.253363      2.783105      3.913705
  N      -3.389073      3.494835      2.839315
  H      -3.420975      4.515796      2.896059
  H      -3.736715      3.045442      1.979232
96
Coordinates from ORCA-job orca E -6715.902851413539
  N      -3.066417      0.184077      4.783327
  Mo     -3.742687      2.023494      5.477930
  N      -4.764848      1.060376      6.953036
  C      -3.926943      0.579270      8.046521
  C      -2.525844      0.238110      7.555442
  N      -1.984864      1.354512      6.709398
  C      -0.973180      0.867599      5.733791
  C      -1.656940     -0.102728      4.756535
  C      -1.449254      2.459216      7.564599
  C      -1.864719      3.781192      6.953562
  N      -3.253566      3.626937      6.600556
  H      -1.198650      0.017342      3.751960
  H      -1.475393     -1.154537      5.057164
  H      -0.594103      1.750888      5.204864
  H      -0.131920      0.389101      6.264694
  H      -1.725434      4.596944      7.687152
  H      -1.237186      4.033938      6.068734
  H      -1.914882      2.364240      8.553476
  H      -0.359498      2.352261      7.676128
  H      -4.360679     -0.322854      8.522926
  H      -3.870459      1.352380      8.835429
  H      -2.552022     -0.665033      6.938850
  H      -1.843588      0.067158      8.404330
  C      -0.108372     -1.324598     -2.075272
  C      -1.081701     -0.233016     -1.711592
  O      -1.216672      0.743031     -2.447014
  C      -1.906774     -0.327043     -0.456030
  C      -2.900053      0.649581     -0.297176
  C      -3.742186      0.681529      0.809577
  O      -4.676853      1.660128      0.906787
  C      -3.579195     -0.283886      1.843670
  C      -4.441382     -0.213290      3.027509
  O      -5.442068      0.554285      3.041492
  C      -4.001167     -0.824656      4.339346
  C      -2.579676     -1.259801      1.687354
  C      -1.760005     -1.304032      0.561961
  O      -0.798297     -2.274243      0.438893
  C      -9.727506      9.331148      4.626530
  C      -9.642533      7.900867      4.168750
  O     -10.624470      7.406231      3.531136
  C      -8.488754      7.092563      4.485919
  C      -7.353113      7.603927      5.165520
  C      -6.276920      6.808315      5.500346
  O      -5.186871      7.326631      6.157808
  C      -6.268954      5.410915      5.173964
  C      -5.231711      4.502211      5.526435
  O      -5.415273      3.221575      5.311074
  C      -3.877215      4.844963      6.095928
  C      -7.398251      4.906609      4.465994
  C      -8.477156      5.704088      4.140484
  O      -9.568215      5.152149      3.533181
  C     -12.100802      5.774088      6.375896
  C     -10.796016      6.176791      7.013128
  O     -10.641042      7.327474      7.421502
  C      -9.696867      5.167400      7.214888
  C      -8.698302      5.530526      8.124109
  C      -7.647541      4.674631      8.453476
  O      -6.723936      5.093819      9.339300
  C      -7.568215      3.390683      7.830647
  C      -6.413198      2.534668      8.111251
  O      -5.584145      2.868935      8.987238
  C      -6.155820      1.252669      7.307806
  C      -8.570793      3.040135      6.908227
  C      -9.608865      3.901201      6.575987
  O     -10.480846      3.487203      5.594140
  H       0.699529     -1.381963     -1.331248
  H       0.307829     -1.105820     -3.064749
  H      -0.597042     -2.308986     -2.069971
  H      -3.006857      1.402047     -1.079286
  H      -5.216569      1.401425      1.738172
  H      -4.870080     -0.899665      5.014461
  H      -3.521066     -1.813916      4.256005
  H      -2.443893     -2.017827      2.462157
  H      -0.851096     -2.857924      1.217266
  H      -9.784551      9.366754      5.725748
  H      -8.847026      9.913235      4.317995
  H     -10.631393      9.787859      4.208765
  H      -7.330271      8.658918      5.447456
  H      -5.379955      8.256249      6.376878
  H      -3.256565      5.303929      5.289499
  H      -3.941884      5.609046      6.887481
  H      -7.420787      3.850598      4.201913
  H     -10.188154      5.973271      3.374517
  H     -12.010226      5.856978      5.281436
  H     -12.374219      4.736208      6.599322
  H     -12.876151      6.476243      6.704894
  H      -8.756540      6.511488      8.596429
  H      -6.093402      4.304781      9.433599
  H      -6.755050      1.262695      6.391084
  H      -6.525654      0.408194      7.925956
  H      -8.531321      2.092644      6.373318
  H     -10.317156      4.047745      4.791074
  N      -3.260462      2.861260      3.914538
  N      -3.400509      3.595636      2.856945
  H      -3.450634      4.613610      2.943209
  H      -3.791098      3.168396      2.005251
96
Coordinates from ORCA-job orca E -6715.902104319338
  N      -3.088301      0.168793      4.774552
  Mo     -3.750748      2.016878      5.459122
  N      -4.774387      1.072908      6.947593
  C      -3.935152      0.593775      8.041013
  C      -2.537487      0.241958      7.548031
  N      -1.991692      1.346490      6.689662
  C      -0.986343      0.842809      5.716378
  C      -1.680708     -0.127767      4.746738
  C      -1.444551      2.456573      7.530932
  C      -1.851166      3.776412      6.908976
  N      -3.241568      3.629801      6.559929
  H      -1.224175     -0.017412      3.740261
  H      -1.505838     -1.178894      5.053601
  H      -0.597667      1.718673      5.181944
  H      -0.149944      0.358628      6.250079
  H      -1.703851      4.596699      7.636247
  H      -1.223190      4.017489      6.021152
  H      -1.905893      2.374578      8.523114
  H      -0.355071      2.342579      7.639433
  H      -4.372179     -0.304461      8.522126
  H      -3.871831      1.370420      8.826162
  H      -2.569739     -0.667110      6.940710
  H      -1.853689      0.075149      8.396779
  C      -0.022093     -1.335861     -2.034397
  C      -1.008998     -0.249564     -1.691602
  O      -1.138097      0.722442     -2.433614
  C      -1.854785     -0.343586     -0.449802
  C      -2.853985      0.630199     -0.310622
  C      -3.715988      0.660938      0.780522
  O      -4.660087      1.632972      0.857120
  C      -3.568319     -0.300481      1.819842
  C      -4.448818     -0.225110      2.990445
  O      -5.448683      0.543923      2.984736
  C      -4.027792     -0.828970      4.312906
  C      -2.564016     -1.274521      1.683071
  C      -1.723517     -1.318217      0.572852
  O      -0.755819     -2.284841      0.470667
  C      -9.758541      9.323533      4.718561
  C      -9.684007      7.889778      4.271763
  O     -10.681663      7.385488      3.667992
  C      -8.512358      7.092866      4.545763
  C      -7.356804      7.607660      5.186975
  C      -6.268063      6.814758      5.485358
  O      -5.161283      7.336636      6.111873
  C      -6.267100      5.416396      5.157477
  C      -5.225564      4.505650      5.495375
  O      -5.415630      3.223080      5.289248
  C      -3.865270      4.846959      6.052997
  C      -7.417208      4.911217      4.482947
  C      -8.507738      5.708631      4.194744
  O      -9.618943      5.165954      3.617648
  C     -12.090530      5.793913      6.327719
  C     -10.821179      6.186299      7.038798
  O     -10.679164      7.335868      7.456767
  C      -9.720973      5.179758      7.245690
  C      -8.716066      5.547442      8.147016
  C      -7.649271      4.701888      8.453607
  O      -6.705638      5.129847      9.314292
  C      -7.566052      3.423476      7.822930
  C      -6.408070      2.570757      8.100315
  O      -5.605448      2.882744      9.008038
  C      -6.162485      1.279875      7.306630
  C      -8.575374      3.067761      6.911576
  C      -9.628909      3.917223      6.600708
  O     -10.524834      3.486060      5.648226
  H       0.773520     -1.386195     -1.276706
  H       0.409596     -1.117764     -3.017525
  H      -0.504881     -2.323330     -2.034306
  H      -2.950623      1.379863     -1.096977
  H      -5.227809      1.358739      1.664632
  H      -4.906022     -0.894024      4.976724
  H      -3.557072     -1.823565      4.239673
  H      -2.438524     -2.028785      2.463485
  H      -0.821585     -2.867422      1.248980
  H      -9.773062      9.366975      5.820139
  H      -8.893540      9.907436      4.370979
  H     -10.680314      9.772005      4.331805
  H      -7.329975      8.661529      5.473185
  H      -5.351751      8.265009      6.338673
  H      -3.249542      5.302291      5.240796
  H      -3.923045      5.613996      6.842421
  H      -7.447219      3.855139      4.218665
  H     -10.239571      5.992988      3.489668
  H     -11.939983      5.883576      5.240290
  H     -12.380701      4.755780      6.529526
  H     -12.880253      6.496812      6.619147
  H      -8.774603      6.528624      8.619243
  H      -6.045924      4.361920      9.362528
  H      -6.762629      1.290068      6.390360
  H      -6.539491      0.442311      7.930196
  H      -8.538654      2.119112      6.378233
  H     -10.460638      4.095833      4.871687
  N      -3.267476      2.838500      3.887838
  N      -3.406850      3.564763      2.824940
  H      -3.413549      4.584839      2.898192
  H      -3.830564      3.140569      1.986509
96
Coordinates from ORCA-job orca E -6715.902971611331
  N      -3.075707      0.161910      4.791344
  Mo     -3.742048      2.009498      5.471792
  N      -4.770726      1.063939      6.954822
  C      -3.935204      0.584542      8.051115
  C      -2.535173      0.234106      7.563389
  N      -1.987836      1.340796      6.708745
  C      -0.978362      0.840626      5.737464
  C      -1.667464     -0.131068      4.764991
  C      -1.446392      2.449676      7.554918
  C      -1.853241      3.769461      6.933333
  N      -3.242110      3.620691      6.578995
  H      -1.209312     -0.017977      3.759570
  H      -1.490408     -1.182186      5.070732
  H      -0.591674      1.718001      5.204174
  H      -0.141562      0.359071      6.272740
  H      -1.710399      4.589332      7.661761
  H      -1.222463      4.012541      6.048067
  H      -1.912538      2.365098      8.544556
  H      -0.357263      2.337450      7.667926
  H      -4.373363     -0.313649      8.531059
  H      -3.875685      1.361012      8.836453
  H      -2.564174     -0.674019      6.954421
  H      -1.854521      0.067058      8.414463
  C      -0.082362     -1.273038     -2.059298
  C      -1.069094     -0.193865     -1.694641
  O      -1.212301      0.783642     -2.426585
  C      -1.898921     -0.303032     -0.443351
  C      -2.902343      0.663146     -0.283665
  C      -3.749902      0.679938      0.819147
  O      -4.697789      1.646003      0.917560
  C      -3.582545     -0.289357      1.848100
  C      -4.451165     -0.229561      3.027688
  O      -5.454015      0.535004      3.038414
  C      -4.014190     -0.840893      4.341006
  C      -2.573686     -1.255445      1.691078
  C      -1.747976     -1.284980      0.569475
  O      -0.776469     -2.245223      0.445580
  C      -9.726453      9.319069      4.646361
  C      -9.648790      7.886848      4.194290
  O     -10.640530      7.389289      3.574303
  C      -8.486894      7.082755      4.490809
  C      -7.339461      7.598740      5.146670
  C      -6.257078      6.805626      5.466784
  O      -5.157090      7.328328      6.104094
  C      -6.254356      5.405945      5.148421
  C      -5.217610      4.496385      5.500147
  O      -5.407416      3.214382      5.295257
  C      -3.861346      4.837687      6.066842
  C      -7.394222      4.898232      4.459980
  C      -8.479497      5.693538      4.150079
  O      -9.582094      5.138285      3.567664
  C     -12.113845      5.779708      6.382022
  C     -10.809841      6.186109      7.018776
  O     -10.656552      7.338610      7.423761
  C      -9.707517      5.179709      7.218333
  C      -8.703767      5.547874      8.120210
  C      -7.647440      4.696148      8.443252
  O      -6.717775      5.119594      9.320957
  C      -7.567836      3.411956      7.821657
  C      -6.411489      2.557511      8.102552
  O      -5.589811      2.887450      8.986891
  C      -6.160777      1.267409      7.309166
  C      -8.575031      3.056540      6.906533
  C      -9.619664      3.912342      6.581235
  O     -10.502453      3.488489      5.613323
  H       0.722908     -1.326012     -1.312085
  H       0.335807     -1.044863     -3.045873
  H      -0.560828     -2.262532     -2.061273
  H      -3.013384      1.418769     -1.062222
  H      -5.243669      1.369724      1.738863
  H      -4.885298     -0.912338      5.013549
  H      -3.538719     -1.832599      4.259043
  H      -2.434264     -2.016147      2.462645
  H      -0.827766     -2.834279      1.220037
  H      -9.763012      9.359252      5.746767
  H      -8.852259      9.900340      4.318599
  H     -10.638375      9.773132      4.243293
  H      -7.313331      8.654832      5.424379
  H      -5.347525      8.258923      6.321480
  H      -3.239514      5.290813      5.258086
  H      -3.923782      5.606247      6.854389
  H      -7.421575      3.840421      4.203289
  H     -10.207979      5.958268      3.422318
  H     -12.022393      5.858318      5.287335
  H     -12.387607      4.742898      6.610106
  H     -12.889916      6.482964      6.707223
  H      -8.761866      6.529846      8.590584
  H      -6.080325      4.335685      9.405947
  H      -6.759820      1.274332      6.392253
  H      -6.535659      0.429506      7.933218
  H      -8.537731      2.106750      6.375397
  H     -10.373818      4.061780      4.813502
  N      -3.254277      2.831418      3.902008
  N      -3.389126      3.557042      2.837735
  H      -3.412514      4.576791      2.913901
  H      -3.808425      3.131306      1.998488
96
Coordinates from ORCA-job orca E -6715.902700622146
  N      -3.071197      0.176917      4.795582
  Mo     -3.751973      2.013102      5.492903
  N      -4.763793      1.047797      6.974948
  C      -3.915651      0.575631      8.064528
  C      -2.517169      0.236912      7.565560
  N      -1.983970      1.353459      6.715114
  C      -0.975843      0.868393      5.734753
  C      -1.661039     -0.105436      4.762234
  C      -1.447047      2.462389      7.564307
  C      -1.874616      3.781984      6.956213
  N      -3.265016      3.621029      6.612801
  H      -1.207494      0.013501      3.755309
  H      -1.474993     -1.156079      5.064661
  H      -0.601697      1.752452      5.203573
  H      -0.130781      0.392710      6.262186
  H      -1.733951      4.598141      7.689267
  H      -1.254788      4.038242      6.066936
  H      -1.901434      2.365055      8.558214
  H      -0.355578      2.362071      7.665209
  H      -4.342787     -0.325247      8.549270
  H      -3.855474      1.353680      8.848394
  H      -2.544352     -0.667260      6.950503
  H      -1.829983      0.068704      8.411125
  C      -0.132547     -1.285344     -2.090990
  C      -1.098442     -0.192727     -1.710876
  O      -1.238059      0.787769     -2.439558
  C      -1.920390     -0.297207     -0.454040
  C      -2.915159      0.676412     -0.286137
  C      -3.755117      0.698669      0.822395
  O      -4.690384      1.676218      0.928473
  C      -3.588772     -0.274372      1.849285
  C      -4.449842     -0.216516      3.035340
  O      -5.461216      0.536905      3.052936
  C      -4.003316     -0.830870      4.343715
  C      -2.587078     -1.246694      1.684020
  C      -1.769466     -1.280995      0.556711
  O      -0.805552     -2.247877      0.425126
  C      -9.730085      9.320569      4.575331
  C      -9.647291      7.884457      4.136413
  O     -10.623377      7.386626      3.492284
  C      -8.497746      7.076844      4.468438
  C      -7.368128      7.587340      5.158254
  C      -6.296413      6.790348      5.503580
  O      -5.208812      7.309474      6.165008
  C      -6.288811      5.391386      5.182093
  C      -5.251175      4.485010      5.541020
  O      -5.429645      3.202156      5.329676
  C      -3.897847      4.834910      6.109333
  C      -7.413132      4.887706      4.464630
  C      -8.485344      5.689049      4.124391
  O      -9.566940      5.147052      3.492342
  C     -12.032495      5.807327      6.312015
  C     -10.745317      6.190573      6.995279
  O     -10.577349      7.344988      7.388088
  C      -9.666332      5.166290      7.225799
  C      -8.671732      5.524663      8.141464
  C      -7.629800      4.661272      8.480038
  O      -6.706184      5.076173      9.367954
  C      -7.555307      3.376363      7.859118
  C      -6.408477      2.512735      8.147247
  O      -5.582929      2.841042      9.028802
  C      -6.152916      1.232983      7.339934
  C      -8.555894      3.029511      6.933932
  C      -9.588134      3.894896      6.596371
  O     -10.466342      3.478529      5.621751
  H       0.683104     -1.349774     -1.356099
  H       0.273973     -1.062155     -3.083566
  H      -0.624350     -2.268240     -2.086309
  H      -3.024742      1.434632     -1.062346
  H      -5.231094      1.408313      1.757001
  H      -4.871258     -0.913089      5.019232
  H      -3.520346     -1.818404      4.254614
  H      -2.448486     -2.010132      2.453103
  H      -0.855321     -2.837113      1.199549
  H      -9.794999      9.369860      5.673816
  H      -8.844959      9.895281      4.265899
  H     -10.629033      9.775529      4.145119
  H      -7.345319      8.643126      5.437353
  H      -5.401210      8.240484      6.378758
  H      -3.280785      5.298456      5.302920
  H      -3.966872      5.598581      6.901161
  H      -7.433692      3.832200      4.198255
  H     -10.178598      5.974786      3.328747
  H     -11.899782      5.888999      5.221401
  H     -12.330400      4.773883      6.525004
  H     -12.808295      6.521636      6.612597
  H      -8.722205      6.509835      8.605948
  H      -6.078296      4.285206      9.462038
  H      -6.758226      1.242704      6.427144
  H      -6.514547      0.385954      7.959425
  H      -8.521455      2.079289      6.403331
  H     -10.321497      4.049080      4.823196
  N      -3.277018      2.851909      3.928540
  N      -3.422406      3.584157      2.870226
  H      -3.472160      4.602137      2.955346
  H      -3.812865      3.154482      2.018710
96
Coordinates from ORCA-job orca E -6715.902994483567
  N      -3.077146      0.166904      4.788166
  Mo     -3.746380      2.011193      5.474839
  N      -4.770084      1.058779      6.956762
  C      -3.930750      0.579874      8.050387
  C      -2.531416      0.232683      7.558560
  N      -1.988116      1.343218      6.706258
  C      -0.979611      0.848197      5.731412
  C      -1.668333     -0.122823      4.758085
  C      -1.447574      2.450779      7.554732
  C      -1.860576      3.771325      6.938796
  N      -3.250194      3.619742      6.588231
  H      -1.212492     -0.006167      3.752003
  H      -1.488378     -1.174317      5.060848
  H      -0.596700      1.727939      5.199325
  H      -0.140241      0.367677      6.263536
  H      -1.717857      4.589358      7.669292
  H      -1.233432      4.019047      6.052237
  H      -1.910276      2.361267      8.545515
  H      -0.357728      2.341772      7.663700
  H      -4.365882     -0.319204      8.531367
  H      -3.870498      1.356100      8.835908
  H      -2.560606     -0.673388      6.946472
  H      -1.848662      0.063801      8.407542
  C      -0.087930     -1.279785     -2.059306
  C      -1.063298     -0.192117     -1.689423
  O      -1.196429      0.790229     -2.416747
  C      -1.896630     -0.300096     -0.440350
  C      -2.894121      0.671904     -0.279676
  C      -3.744515      0.690479      0.820980
  O      -4.685254      1.663444      0.919026
  C      -3.585254     -0.283286      1.847805
  C      -4.453377     -0.223223      3.028126
  O      -5.453448      0.544998      3.043232
  C      -4.014647     -0.837246      4.339328
  C      -2.581475     -1.254530      1.689752
  C      -1.753982     -1.286009      0.569606
  O      -0.787947     -2.251658      0.444689
  C      -9.726925      9.321467      4.617627
  C      -9.647325      7.886554      4.174120
  O     -10.637511      7.384126      3.555189
  C      -8.487992      7.082957      4.480094
  C      -7.342558      7.598953      5.139427
  C      -6.263693      6.804269      5.467560
  O      -5.163851      7.326878      6.105342
  C      -6.263074      5.403265      5.155204
  C      -5.227095      4.494288      5.510140
  O      -5.415457      3.212154      5.305090
  C      -3.871622      4.836673      6.078063
  C      -7.401206      4.895413      4.463732
  C      -8.482584      5.692520      4.145477
  O      -9.584012      5.139829      3.557972
  C     -12.099073      5.784363      6.383784
  C     -10.795166      6.186483      7.023066
  O     -10.634034      7.340992      7.418319
  C      -9.698203      5.175342      7.227647
  C      -8.694904      5.540116      8.130931
  C      -7.641796      4.684553      8.454625
  O      -6.709709      5.105877      9.330474
  C      -7.566206      3.400024      7.833125
  C      -6.411942      2.542920      8.113027
  O      -5.589926      2.869906      8.998359
  C      -6.159756      1.256500      7.314434
  C      -8.574244      3.047865      6.917377
  C      -9.615094      3.907734      6.591067
  O     -10.498244      3.490735      5.620376
  H       0.717356     -1.343596     -1.312996
  H       0.331683     -1.051903     -3.045319
  H      -0.576138     -2.264458     -2.064739
  H      -2.998375      1.430850     -1.055901
  H      -5.237025      1.388767      1.737579
  H      -4.884588     -0.911157      5.013172
  H      -3.537639     -1.827978      4.254571
  H      -2.447907     -2.018415      2.459237
  H      -0.843902     -2.842462      1.217489
  H      -9.766854      9.368630      5.717372
  H      -8.851977      9.901040      4.288991
  H     -10.637769      9.772760      4.209114
  H      -7.314548      8.656328      5.411884
  H      -5.351878      8.259325      6.316762
  H      -3.249712      5.291937      5.270640
  H      -3.935757      5.603924      6.866776
  H      -7.429471      3.836932      4.210084
  H     -10.204842      5.963093      3.406150
  H     -12.005105      5.869136      5.289643
  H     -12.373553      4.746316      6.604858
  H     -12.874744      6.486731      6.711731
  H      -8.748544      6.522988      8.599887
  H      -6.072271      4.320997      9.411941
  H      -6.760831      1.264754      6.398899
  H      -6.530574      0.415353      7.936534
  H      -8.538985      2.098598      6.385251
  H     -10.346882      4.050956      4.814523
  N      -3.263525      2.839686      3.907378
  N      -3.402327      3.568822      2.845853
  H      -3.456430      4.586813      2.930075
  H      -3.805504      3.139013      2.000587
96
Coordinates from ORCA-job orca E -6715.902902817454
  N      -3.074460      0.163377      4.794444
  Mo     -3.742927      2.009598      5.475769
  N      -4.772476      1.063519      6.958798
  C      -3.934936      0.587342      8.055091
  C      -2.535294      0.236585      7.567102
  N      -1.987761      1.342941      6.712345
  C      -0.977900      0.842895      5.741346
  C      -1.666235     -0.129605      4.769388
  C      -1.446464      2.452882      7.557396
  C      -1.856737      3.772354      6.937385
  N      -3.245912      3.621933      6.585145
  H      -1.207091     -0.018387      3.764172
  H      -1.489573     -1.180277      5.077140
  H      -0.591200      1.720374      5.208195
  H      -0.141200      0.361613      6.277057
  H      -1.713555      4.591674      7.666487
  H      -1.227784      4.017150      6.051243
  H      -1.909147      2.366778      8.548572
  H      -0.356776      2.342888      7.667356
  H      -4.372129     -0.309932      8.537638
  H      -3.874742      1.365859      8.838427
  H      -2.564428     -0.671639      6.958339
  H      -1.854777      0.069477      8.418341
  C      -0.089950     -1.280142     -2.072423
  C      -1.073329     -0.198714     -1.705352
  O      -1.210819      0.782739     -2.433117
  C      -1.899429     -0.305452     -0.451381
  C      -2.901619      0.661791     -0.289915
  C      -3.746110      0.679821      0.815056
  O      -4.692569      1.647420      0.916808
  C      -3.577653     -0.288937      1.843749
  C      -4.447383     -0.229349      3.022512
  O      -5.455630      0.528151      3.028073
  C      -4.011601     -0.838165      4.337549
  C      -2.569828     -1.255842      1.685474
  C      -1.746421     -1.286457      0.562081
  O      -0.775475     -2.247006      0.436852
  C      -9.736928      9.308933      4.645443
  C      -9.658123      7.876427      4.195366
  O     -10.649824      7.377277      3.576347
  C      -8.493708      7.075302      4.489418
  C      -7.347558      7.593172      5.146050
  C      -6.263366      6.802202      5.465063
  O      -5.164165      7.326982      6.102241
  C      -6.257939      5.402425      5.146163
  C      -5.221001      4.494249      5.501144
  O      -5.408706      3.211366      5.296855
  C      -3.867278      4.837872      6.072647
  C      -7.395534      4.893526      4.454613
  C      -8.481982      5.687414      4.144366
  O      -9.581187      5.132837      3.555474
  C     -12.097809      5.796112      6.369341
  C     -10.795790      6.197075      7.013812
  O     -10.640345      7.348922      7.420508
  C      -9.700014      5.185209      7.221228
  C      -8.700750      5.547625      8.130642
  C      -7.648546      4.691743      8.456846
  O      -6.727777      5.105478      9.348462
  C      -7.565788      3.411912      7.826766
  C      -6.413164      2.553541      8.110909
  O      -5.589654      2.883733      8.993497
  C      -6.162570      1.264777      7.315288
  C      -8.568747      3.062170      6.905169
  C      -9.612566      3.919311      6.580929
  O     -10.496353      3.497093      5.613586
  H       0.717904     -1.334422     -1.328034
  H       0.325448     -1.053493     -3.060555
  H      -0.570568     -2.268622     -2.072095
  H      -3.013902      1.417284     -1.068480
  H      -5.235383      1.371896      1.740398
  H      -4.884550     -0.910601      5.007575
  H      -3.535959     -1.829944      4.256781
  H      -2.429848     -2.016433      2.457118
  H      -0.825246     -2.835710      1.211705
  H      -9.770355      9.350319      5.746206
  H      -8.864465      9.891036      4.314279
  H     -10.650665      9.761029      4.244188
  H      -7.324197      8.648897      5.425565
  H      -5.356220      8.257262      6.319621
  H      -3.244075      5.294671      5.267102
  H      -3.934840      5.605024      6.861382
  H      -7.419958      3.836195      4.195446
  H     -10.210295      5.952660      3.416286
  H     -12.000341      5.880014      5.275349
  H     -12.375786      4.759155      6.591377
  H     -12.873783      6.500049      6.693622
  H      -8.759974      6.527476      8.605387
  H      -6.096034      4.317355      9.437682
  H      -6.762978      1.272096      6.399219
  H      -6.534968      0.425628      7.939154
  H      -8.530754      2.114136      6.370751
  H     -10.384054      4.083451      4.820977
  N      -3.251665      2.834174      3.909122
  N      -3.382905      3.560902      2.844593
  H      -3.389496      4.581364      2.917552
  H      -3.794656      3.136603      2.000100
96
Coordinates from ORCA-job orca E -6715.903017420602
  N      -3.076717      0.163066      4.792602
  Mo     -3.746811      2.007943      5.476206
  N      -4.772296      1.057290      6.958551
  C      -3.933556      0.577674      8.052483
  C      -2.533351      0.231505      7.562435
  N      -1.989503      1.341634      6.710011
  C      -0.979731      0.846151      5.736697
  C      -1.667420     -0.124358      4.761820
  C      -1.450362      2.450145      7.558186
  C      -1.862010      3.770324      6.940535
  N      -3.250657      3.618570      6.586592
  H      -1.212013     -0.005545      3.755817
  H      -1.485863     -1.175984      5.063135
  H      -0.594879      1.725738      5.205752
  H      -0.141842      0.364682      6.270334
  H      -1.721084      4.588553      7.671205
  H      -1.232599      4.017839      6.055531
  H      -1.914433      2.361374      8.548416
  H      -0.360660      2.341297      7.669003
  H      -4.368806     -0.322220      8.531883
  H      -3.874564      1.353043      8.838932
  H      -2.560665     -0.675112      6.951129
  H      -1.851656      0.063866      8.412564
  C      -0.088835     -1.266324     -2.064284
  C      -1.069068     -0.183481     -1.693117
  O      -1.210229      0.796730     -2.421801
  C      -1.899264     -0.294918     -0.442208
  C      -2.902051      0.671515     -0.280594
  C      -3.750047      0.686190      0.821900
  O      -4.696552      1.653521      0.921965
  C      -3.583555     -0.285636      1.848893
  C      -4.452298     -0.229468      3.028908
  O      -5.458116      0.531148      3.040947
  C      -4.012545     -0.841421      4.340973
  C      -2.574840     -1.251552      1.689991
  C      -1.749052     -1.279122      0.568403
  O      -0.777873     -2.239437      0.442441
  C      -9.724892      9.318561      4.615740
  C      -9.649749      7.882677      4.175196
  O     -10.642586      7.381898      3.558931
  C      -8.489798      7.078553      4.477585
  C      -7.342295      7.595496      5.132606
  C      -6.262483      6.801450      5.458765
  O      -5.160294      7.325436      6.091474
  C      -6.262992      5.399700      5.149481
  C      -5.227157      4.491186      5.506011
  O      -5.415450      3.208335      5.303401
  C      -3.872537      4.834778      6.075459
  C      -7.402505      4.890952      4.460793
  C      -8.484725      5.687670      4.143778
  O      -9.586311      5.134290      3.557543
  C     -12.093343      5.792403      6.380149
  C     -10.789538      6.192565      7.021030
  O     -10.626752      7.347420      7.415036
  C      -9.695138      5.179295      7.228904
  C      -8.692889      5.542565      8.134156
  C      -7.641186      4.685603      8.459087
  O      -6.711894      5.103756      9.339506
  C      -7.564761      3.402356      7.835031
  C      -6.411562      2.544001      8.115304
  O      -5.588407      2.870761      8.999673
  C      -6.161621      1.256960      7.316975
  C      -8.571703      3.051689      6.917719
  C      -9.612568      3.911688      6.591971
  O     -10.496818      3.494133      5.622779
  H       0.719032     -1.324859     -1.320332
  H       0.326581     -1.037619     -3.051902
  H      -0.571818     -2.253627     -2.066904
  H      -3.012233      1.429216     -1.057249
  H      -5.243249      1.376382      1.742843
  H      -4.883053     -0.916625      5.013904
  H      -3.534283     -1.831651      4.256878
  H      -2.435974     -2.014206      2.459771
  H      -0.829079     -2.830024      1.215748
  H      -9.761265      9.367855      5.715692
  H      -8.849666      9.895523      4.283114
  H     -10.636028      9.771000      4.209096
  H      -7.313465      8.653348      5.403268
  H      -5.347422      8.258448      6.301232
  H      -3.250036      5.291133      5.269190
  H      -3.938804      5.601875      6.864305
  H      -7.431153      3.832153      4.208468
  H     -10.209164      5.957379      3.408442
  H     -11.997466      5.876771      5.286062
  H     -12.370525      4.755146      6.601447
  H     -12.868132      6.496573      6.706469
  H      -8.746674      6.524980      8.604107
  H      -6.076565      4.317335      9.422630
  H      -6.763175      1.266084      6.401701
  H      -6.533241      0.416401      7.939370
  H      -8.536486      2.102615      6.385099
  H     -10.354824      4.060713      4.819740
  N      -3.262942      2.833918      3.907981
  N      -3.400825      3.561389      2.845014
  H      -3.438765      4.580439      2.925642
  H      -3.814605      3.133933      2.003543
96
Coordinates from ORCA-job orca E -6715.903016546397
  N      -3.078122      0.165376      4.790266
  Mo     -3.748308      2.009319      5.476123
  N      -4.773290      1.056758      6.957650
  C      -3.933630      0.577143      8.050847
  C      -2.533637      0.231477      7.559918
  N      -1.990287      1.342382      6.708195
  C      -0.981008      0.847855      5.733889
  C      -1.668963     -0.122458      4.759165
  C      -1.450758      2.450228      7.556906
  C      -1.864160      3.770830      6.941317
  N      -3.253338      3.618824      6.589603
  H      -1.213609     -0.003776      3.753105
  H      -1.487630     -1.174160      5.060423
  H      -0.597122      1.727905      5.203024
  H      -0.142435      0.366593      6.266612
  H      -1.722314      4.588269      7.672707
  H      -1.236301      4.019650      6.055544
  H      -1.913255      2.360014      8.547744
  H      -0.360825      2.342047      7.665994
  H      -4.368266     -0.322929      8.530458
  H      -3.874317      1.352458      8.837339
  H      -2.561122     -0.674665      6.947898
  H      -1.851660      0.063266      8.409690
  C      -0.084650     -1.276139     -2.061883
  C      -1.062044     -0.190021     -1.692811
  O      -1.193195      0.794127     -2.418032
  C      -1.894401     -0.298219     -0.443095
  C      -2.893234      0.672443     -0.282511
  C      -3.743185      0.690012      0.818433
  O      -4.685534      1.661582      0.916922
  C      -3.582355     -0.283043      1.845391
  C      -4.452019     -0.224603      3.024698
  O      -5.455762      0.538749      3.036673
  C      -4.014266     -0.837924      4.336706
  C      -2.577153     -1.252821      1.687660
  C      -1.749787     -1.283365      0.567339
  O      -0.782144     -2.247351      0.442639
  C      -9.730235      9.316129      4.612566
  C      -9.651940      7.880073      4.172954
  O     -10.644144      7.375863      3.558460
  C      -8.491188      7.077928      4.476381
  C      -7.343941      7.595705      5.131211
  C      -6.264042      6.801976      5.457875
  O      -5.161603      7.326437      6.089733
  C      -6.264558      5.399919      5.149747
  C      -5.229004      4.491596      5.507299
  O      -5.417318      3.208735      5.304949
  C      -3.874937      4.835078      6.078147
  C      -7.403767      4.890688      4.460917
  C      -8.485870      5.687205      4.143282
  O      -9.588056      5.134026      3.557929
  C     -12.093756      5.794993      6.389921
  C     -10.787174      6.194976      7.025285
  O     -10.622462      7.349854      7.418326
  C      -9.693684      5.180619      7.232176
  C      -8.690550      5.542600      8.136938
  C      -7.639540      4.684461      8.460961
  O      -6.709672      5.101151      9.341437
  C      -7.564654      3.401436      7.836182
  C      -6.412488      2.541615      8.116381
  O      -5.588560      2.867883      9.000203
  C      -6.162541      1.255235      7.316990
  C      -8.572385      3.052196      6.919160
  C      -9.612764      3.913277      6.594545
  O     -10.497700      3.497327      5.625496
  H       0.720417     -1.338691     -1.315210
  H       0.335153     -1.047773     -3.047711
  H      -0.571423     -2.261530     -2.067412
  H      -2.998969      1.430990     -1.058934
  H      -5.236380      1.385850      1.735669
  H      -4.885506     -0.912917      5.008744
  H      -3.536889     -1.828535      4.252051
  H      -2.442361     -2.016159      2.457478
  H      -0.836877     -2.838079      1.215583
  H      -9.765951      9.366380      5.712448
  H      -8.856622      9.894854      4.278813
  H     -10.642690      9.766083      4.206161
  H      -7.315317      8.653748      5.401018
  H      -5.348432      8.259733      6.298473
  H      -3.251661      5.291939      5.272775
  H      -3.942252      5.601939      6.867168
  H      -7.432411      3.831704      4.209414
  H     -10.211040      5.956969      3.409868
  H     -12.002569      5.881239      5.295559
  H     -12.369778      4.757418      6.610979
  H     -12.867283      6.498593      6.720462
  H      -8.743091      6.524849      8.607362
  H      -6.074920      4.314125      9.423693
  H      -6.764618      1.264371      6.402109
  H      -6.533130      0.414147      7.939249
  H      -8.538283      2.103422      6.386020
  H     -10.355347      4.063920      4.822319
  N      -3.264083      2.838012      3.909791
  N      -3.401184      3.567137      2.847739
  H      -3.442655      4.585972      2.929534
  H      -3.804286      3.138872      2.001476
96
Coordinates from ORCA-job orca E -6715.903021398354
  N      -3.078352      0.164253      4.791740
  Mo     -3.748198      2.008592      5.476879
  N      -4.772859      1.056761      6.959170
  C      -3.932844      0.577895      8.052450
  C      -2.533083      0.231712      7.561278
  N      -1.989831      1.342120      6.708833
  C      -0.980820      0.847004      5.734562
  C      -1.669120     -0.123254      4.759958
  C      -1.449971      2.450347      7.556886
  C      -1.863428      3.770720      6.940853
  N      -3.252641      3.618648      6.589291
  H      -1.214262     -0.004304      3.753718
  H      -1.487510     -1.174982      5.060955
  H      -0.596534      1.726800      5.203561
  H      -0.142448      0.365490      6.267385
  H      -1.721468      4.588447      7.671907
  H      -1.235672      4.019173      6.054907
  H      -1.912150      2.360549      8.547913
  H      -0.360003      2.342165      7.665664
  H      -4.367402     -0.321758      8.532935
  H      -3.873180      1.353818      8.838300
  H      -2.560904     -0.674693      6.949668
  H      -1.850869      0.063783      8.410924
  C      -0.087810     -1.271345     -2.063947
  C      -1.064222     -0.185277     -1.692147
  O      -1.198722      0.798020     -2.417912
  C      -1.895939     -0.295326     -0.442142
  C      -2.896475      0.673509     -0.280977
  C      -3.745826      0.689349      0.820444
  O      -4.690127      1.658960      0.919881
  C      -3.582776     -0.283491      1.847076
  C      -4.452658     -0.226448      3.026253
  O      -5.457099      0.535962      3.037840
  C      -4.014441     -0.839197      4.338426
  C      -2.576054     -1.251577      1.688759
  C      -1.749168     -1.280473      0.568012
  O      -0.779948     -2.242799      0.442624
  C      -9.725988      9.318023      4.610711
  C      -9.650225      7.881490      4.172400
  O     -10.643607      7.378688      3.558484
  C      -8.489993      7.078262      4.475162
  C      -7.342042      7.595862      5.128934
  C      -6.262480      6.801815      5.455798
  O      -5.159368      7.326248      6.086572
  C      -6.263932      5.399465      5.149067
  C      -5.228628      4.491089      5.507153
  O      -5.417188      3.208052      5.305696
  C      -3.874568      4.834785      6.077911
  C      -7.403700      4.890243      4.461140
  C      -8.485596      5.687034      4.143269
  O      -9.588075      5.133673      3.558719
  C     -12.092968      5.793061      6.385584
  C     -10.787396      6.193287      7.022877
  O     -10.622604      7.348739      7.414195
  C      -9.694149      5.179014      7.231565
  C      -8.692229      5.541103      8.137604
  C      -7.641307      4.683126      8.462545
  O      -6.712749      5.099546      9.344497
  C      -7.565112      3.400502      7.837086
  C      -6.412748      2.541192      8.117763
  O      -5.589985      2.867187      9.002834
  C      -6.162165      1.254756      7.318655
  C      -8.571790      3.051142      6.918953
  C      -9.612263      3.911840      6.593735
  O     -10.496478      3.495831      5.624071
  H       0.719484     -1.333515     -1.319659
  H       0.329011     -1.043108     -3.051077
  H      -0.574350     -2.256873     -2.067797
  H      -3.003934      1.432029     -1.057202
  H      -5.239270      1.382129      1.739334
  H      -4.885576     -0.914117      5.010582
  H      -3.536943     -1.829798      4.254110
  H      -2.439707     -2.014915      2.458306
  H      -0.833306     -2.833778      1.215476
  H      -9.761009      9.369204      5.710587
  H      -8.851637      9.895073      4.275957
  H     -10.637971      9.769078      4.204445
  H      -7.312622      8.654149      5.397760
  H      -5.345452      8.259946      6.294193
  H      -3.251333      5.291887      5.272683
  H      -3.942064      5.601569      6.867030
  H      -7.432922      3.831054      4.210554
  H     -10.210983      5.957065      3.410141
  H     -12.000135      5.880521      5.291432
  H     -12.368752      4.755124      6.605152
  H     -12.867294      6.496018      6.715647
  H      -8.745458      6.523250      8.608178
  H      -6.077817      4.312616      9.426987
  H      -6.764389      1.263377      6.403855
  H      -6.532221      0.413587      7.941142
  H      -8.536659      2.102603      6.385434
  H     -10.354071      4.062894      4.821184
  N      -3.264436      2.836354      3.909952
  N      -3.402065      3.565021      2.847686
  H      -3.444857      4.583738      2.929985
  H      -3.810175      3.137004      2.003720
96
Coordinates from ORCA-job orca E -6715.903023455839
  N      -3.078977      0.162622      4.793044
  Mo     -3.749312      2.006957      5.477534
  N      -4.774134      1.054866      6.959671
  C      -3.934223      0.574921      8.052629
  C      -2.533986      0.229967      7.561853
  N      -1.991066      1.340929      6.709899
  C      -0.981545      0.846463      5.735855
  C      -1.669353     -0.122867      4.759760
  C      -1.452088      2.449126      7.558543
  C      -1.865169      3.769597      6.942456
  N      -3.253927      3.617347      6.589332
  H      -1.215399     -0.001262      3.753445
  H      -1.486186     -1.174933      5.058577
  H      -0.596530      1.726607      5.205966
  H      -0.143735      0.364232      6.268925
  H      -1.724196      4.587063      7.674000
  H      -1.236449      4.018564      6.057345
  H      -1.915128      2.359049      8.549141
  H      -0.362189      2.341119      7.668252
  H      -4.368533     -0.325602      8.531724
  H      -3.875323      1.349803      8.839563
  H      -2.560731     -0.676307      6.950009
  H      -1.852038      0.062369      8.411787
  C      -0.086819     -1.265059     -2.064185
  C      -1.064270     -0.180184     -1.691654
  O      -1.200636      0.802896     -2.417349
  C      -1.895845     -0.291917     -0.441686
  C      -2.898252      0.674966     -0.280497
  C      -3.747658      0.689022      0.820914
  O      -4.694021      1.656618      0.920330
  C      -3.582731     -0.283560      1.847475
  C      -4.452916     -0.228367      3.026574
  O      -5.459229      0.531521      3.037798
  C      -4.014144     -0.841097      4.338635
  C      -2.574126     -1.249671      1.689117
  C      -1.747177     -1.276866      0.568369
  O      -0.776039     -2.237246      0.442883
  C      -9.724153      9.317726      4.605032
  C      -9.650156      7.880321      4.169368
  O     -10.644551      7.377589      3.556835
  C      -8.490305      7.076684      4.472205
  C      -7.341472      7.594618      5.124206
  C      -6.262244      6.800408      5.451609
  O      -5.158047      7.325232      6.080217
  C      -6.264893      5.397460      5.147503
  C      -5.229869      4.489259      5.506615
  O      -5.418573      3.205934      5.306411
  C      -3.876185      4.833354      6.078164
  C      -7.405439      4.887830      4.461110
  C      -8.487063      5.684791      4.142618
  O      -9.590099      5.131289      3.559346
  C     -12.091301      5.795701      6.389456
  C     -10.784205      6.195752      7.023783
  O     -10.617457      7.351821      7.412379
  C      -9.691776      5.180671      7.232898
  C      -8.688760      5.542877      8.137639
  C      -7.638282      4.684254      8.462470
  O      -6.708359      5.100748      9.342930
  C      -7.563861      3.400935      7.838205
  C      -6.412011      2.540869      8.118515
  O      -5.588366      2.866594      9.002893
  C      -6.163060      1.253795      7.319967
  C      -8.571594      3.051555      6.921263
  C      -9.611620      3.912808      6.596165
  O     -10.497118      3.496674      5.627834
  H       0.721111     -1.326192     -1.320502
  H       0.328969     -1.036338     -3.051640
  H      -0.572134     -2.251200     -2.067632
  H      -3.007195      1.433337     -1.056658
  H      -5.242666      1.378440      1.739667
  H      -4.885374     -0.916955      5.010554
  H      -3.535922     -1.831342      4.253980
  H      -2.436233     -2.012750      2.458643
  H      -0.828214     -2.828438      1.215654
  H      -9.758373      9.370964      5.704836
  H      -8.849446      9.893258      4.268584
  H     -10.635957      9.768964      4.198562
  H      -7.311050      8.653396      5.391002
  H      -5.343039      8.259614      6.285733
  H      -3.252637      5.291460      5.273802
  H      -3.944757      5.599607      6.867771
  H      -7.435414      3.828257      4.212253
  H     -10.212761      5.955137      3.410124
  H     -12.000584      5.883880      5.295157
  H     -12.366887      4.757780      6.609147
  H     -12.864762      6.498798      6.721287
  H      -8.740494      6.525633      8.607112
  H      -6.073768      4.313424      9.425071
  H      -6.765931      1.262485      6.405575
  H      -6.533263      0.413145      7.943048
  H      -8.537628      2.102472      6.388620
  H     -10.355622      4.063314      4.824448
  N      -3.266140      2.834266      3.910391
  N      -3.404067      3.562765      2.847966
  H      -3.443619      4.581678      2.929704
  H      -3.814298      3.135296      2.004759
96
Coordinates from ORCA-job orca E -6715.903025075696
  N      -3.080384      0.161697      4.794786
  Mo     -3.750269      2.006174      5.479138
  N      -4.774282      1.053766      6.961840
  C      -3.933321      0.574064      8.054169
  C      -2.533297      0.229407      7.562583
  N      -1.991083      1.340514      6.710316
  C      -0.982088      0.846168      5.735707
  C      -1.670478     -0.122160      4.758841
  C      -1.451750      2.448719      7.558746
  C      -1.865617      3.769222      6.943278
  N      -3.254503      3.616766      6.590840
  H      -1.218184      0.001825      3.752084
  H      -1.485895     -1.174603      5.055452
  H      -0.596528      1.726447      5.206442
  H      -0.144534      0.363059      6.268393
  H      -1.724402      4.586463      7.675046
  H      -1.237426      4.018684      6.057924
  H      -1.913940      2.358242      8.549703
  H      -0.361721      2.341053      7.667513
  H      -4.367019     -0.326523      8.533717
  H      -3.874113      1.349050      8.840973
  H      -2.560093     -0.676813      6.950659
  H      -1.850880      0.061992      8.412182
  C      -0.090353     -1.260933     -2.065876
  C      -1.064866     -0.174542     -1.690092
  O      -1.199121      0.810786     -2.413105
  C      -1.896504     -0.287720     -0.440276
  C      -2.899739      0.678215     -0.278601
  C      -3.749348      0.690639      0.822682
  O      -4.696901      1.657054      0.922538
  C      -3.583575     -0.282378      1.848657
  C      -4.454404     -0.228979      3.027398
  O      -5.461341      0.529999      3.038468
  C      -4.015290     -0.841718      4.339378
  C      -2.573992     -1.247390      1.689899
  C      -1.747006     -1.273172      0.569133
  O      -0.774789     -2.232392      0.443125
  C      -9.720869      9.318437      4.597706
  C      -9.648031      7.880099      4.165000
  O     -10.643935      7.376383      3.555365
  C      -8.488393      7.076449      4.467735
  C      -7.338424      7.594892      5.117421
  C      -6.259871      6.800316      5.445928
  O      -5.154367      7.325405      6.072101
  C      -6.264347      5.396504      5.145649
  C      -5.230256      4.488344      5.507061
  O      -5.419724      3.204613      5.309267
  C      -3.877173      4.832711      6.079986
  C      -7.405672      4.886452      4.460849
  C      -8.486799      5.683710      4.141351
  O      -9.591135      5.130075      3.560778
  C     -12.089569      5.794767      6.389163
  C     -10.781833      6.195054      7.022155
  O     -10.612957      7.352377      7.405910
  C      -9.690548      5.179256      7.233675
  C      -8.688582      5.541070      8.139635
  C      -7.639031      4.681723      8.465860
  O      -6.710411      5.097240      9.348076
  C      -7.564264      3.398619      7.841085
  C      -6.412644      2.538430      8.121760
  O      -5.589665      2.863761      9.007001
  C      -6.163134      1.251405      7.323321
  C      -8.571247      3.049621      6.923146
  C      -9.610600      3.911313      6.597075
  O     -10.495165      3.496001      5.627732
  H       0.719310     -1.323856     -1.324213
  H       0.323493     -1.032172     -3.054142
  H      -0.577284     -2.246270     -2.068794
  H      -3.009271      1.437041     -1.054231
  H      -5.245303      1.377667      1.741657
  H      -4.886608     -0.917773      5.011141
  H      -3.537100     -1.832010      4.254564
  H      -2.435368     -2.010759      2.459004
  H      -0.826382     -2.824187      1.215474
  H      -9.753447      9.374057      5.697425
  H      -8.846452      9.892915      4.258694
  H     -10.633110      9.769151      4.191631
  H      -7.306667      8.654328      5.381448
  H      -5.337603      8.260870      6.274240
  H      -3.252948      5.292349      5.277121
  H      -3.947332      5.598140      6.870368
  H      -7.436805      3.826288      4.214678
  H     -10.213648      5.954615      3.411344
  H     -12.000101      5.887445      5.295052
  H     -12.363648      4.755844      6.605507
  H     -12.863365      6.496046      6.724140
  H      -8.740068      6.523919      8.608941
  H      -6.076590      4.309224      9.431071
  H      -6.766953      1.259025      6.409543
  H      -6.531658      0.410532      7.947068
  H      -8.536692      2.100754      6.390151
  H     -10.353031      4.063011      4.824508
  N      -3.268070      2.833337      3.912018
  N      -3.406410      3.562170      2.849789
  H      -3.447525      4.580925      2.932581
  H      -3.818739      3.135062      2.007456
96
Coordinates from ORCA-job orca E -6715.903026170837
  N      -3.081167      0.162601      4.795031
  Mo     -3.750946      2.006726      5.480432
  N      -4.773984      1.053421      6.963310
  C      -3.932000      0.574850      8.055302
  C      -2.532385      0.230025      7.562733
  N      -1.990756      1.341169      6.710126
  C      -0.982423      0.846946      5.734789
  C      -1.671319     -0.121348      4.758329
  C      -1.450719      2.449346      7.558138
  C      -1.866108      3.769826      6.943656
  N      -3.255518      3.616965      6.593446
  H      -1.219480      0.002562      3.751355
  H      -1.486699     -1.173818      5.054867
  H      -0.597345      1.727299      5.205300
  H      -0.144440      0.363903      6.266852
  H      -1.723925      4.586920      7.675414
  H      -1.239451      4.019739      6.057321
  H      -1.911362      2.358353      8.549773
  H      -0.360483      2.342170      7.665234
  H      -4.365108     -0.325353      8.536094
  H      -3.872210      1.350608      8.841334
  H      -2.559799     -0.676124      6.950718
  H      -1.849378      0.062513      8.411828
  C      -0.093441     -1.265233     -2.067922
  C      -1.063216     -0.175412     -1.689808
  O      -1.193654      0.811764     -2.410985
  C      -1.895375     -0.287731     -0.440289
  C      -2.897194      0.679668     -0.278593
  C      -3.747260      0.692838      0.822324
  O      -4.693486      1.660583      0.922134
  C      -3.583217     -0.280736      1.848046
  C      -4.454467     -0.226728      3.026440
  O      -5.460667      0.533233      3.037292
  C      -4.016298     -0.840055      4.338451
  C      -2.574874     -1.247061      1.689375
  C      -1.747610     -1.273715      0.568835
  O      -0.776530     -2.234086      0.442946
  C      -9.720979      9.318482      4.595938
  C      -9.647820      7.880116      4.163428
  O     -10.643270      7.376453      3.552921
  C      -8.488468      7.076473      4.467012
  C      -7.338985      7.594886      5.117610
  C      -6.260783      6.800250      5.447023
  O      -5.155709      7.325229      6.074058
  C      -6.265150      5.396385      5.146890
  C      -5.231352      4.488295      5.509254
  O      -5.420774      3.204458      5.311854
  C      -3.878633      4.832847      6.082885
  C      -7.405938      4.886386      4.461175
  C      -8.486745      5.683720      4.140668
  O      -9.590625      5.130293      3.559188
  C     -12.088908      5.793517      6.388941
  C     -10.780235      6.194413      7.019712
  O     -10.611114      7.351929      7.402731
  C      -9.689474      5.178319      7.232374
  C      -8.687970      5.540069      8.138854
  C      -7.638839      4.680485      8.465916
  O      -6.710515      5.095979      9.348439
  C      -7.564160      3.397211      7.841499
  C      -6.413355      2.536419      8.123699
  O      -5.591184      2.861605      9.009750
  C      -6.162920      1.249542      7.325365
  C      -8.570600      3.048334      6.922952
  C      -9.609559      3.910207      6.596105
  O     -10.493419      3.494820      5.626295
  H       0.717488     -1.331073     -1.327890
  H       0.319359     -1.037579     -3.056882
  H      -0.583748     -2.248878     -2.070117
  H      -3.005315      1.438987     -1.053937
  H      -5.243013      1.381396      1.740575
  H      -4.888017     -0.915849      5.009730
  H      -3.538685     -1.830626      4.253552
  H      -2.437461     -2.010750      2.458375
  H      -0.829222     -2.826123      1.215031
  H      -9.754348      9.374188      5.695625
  H      -8.846320      9.892930      4.257494
  H     -10.632920      9.769155      4.189153
  H      -7.307393      8.654339      5.381569
  H      -5.338752      8.260889      6.275461
  H      -3.254222      5.293420      5.280723
  H      -3.949615      5.597780      6.873716
  H      -7.436894      3.826207      4.215030
  H     -10.212974      5.954988      3.409365
  H     -12.001507      5.888519      5.294825
  H     -12.361690      4.754039      6.604050
  H     -12.862707      6.493622      6.726397
  H      -8.739312      6.523098      8.607796
  H      -6.076555      4.308077      9.431433
  H      -6.767194      1.256060      6.411893
  H      -6.530033      0.408450      7.949633
  H      -8.535965      2.099343      6.390226
  H     -10.352876      4.063334      4.823922
  N      -3.268901      2.835135      3.914168
  N      -3.407019      3.564970      2.852598
  H      -3.449160      4.583576      2.936313
  H      -3.816306      3.138023      2.008703
96
Coordinates from ORCA-job orca E -6715.903026687683
  N      -3.080805      0.162337      4.795279
  Mo     -3.750959      2.006530      5.480190
  N      -4.774375      1.052896      6.962583
  C      -3.933042      0.572991      8.054497
  C      -2.532927      0.229152      7.562526
  N      -1.991304      1.340856      6.710630
  C      -0.982367      0.847222      5.735642
  C      -1.670713     -0.120308      4.757866
  C      -1.452062      2.448805      7.559428
  C      -1.866474      3.769432      6.944601
  N      -3.255456      3.616746      6.592703
  H      -1.219269      0.005574      3.750962
  H      -1.485129     -1.173038      5.052788
  H      -0.596682      1.727871      5.207095
  H      -0.144884      0.363641      6.268002
  H      -1.725125      4.586424      7.676622
  H      -1.238699      4.019401      6.059086
  H      -1.914091      2.357819      8.550415
  H      -0.361990      2.341359      7.667930
  H      -4.366262     -0.328025      8.533663
  H      -3.874071      1.347608      8.841719
  H      -2.559507     -0.676753      6.950116
  H      -1.850262      0.061662      8.411898
  C      -0.093006     -1.264592     -2.067733
  C      -1.063332     -0.175163     -1.689893
  O      -1.193186      0.812495     -2.410503
  C      -1.895385     -0.287634     -0.440319
  C      -2.897607      0.679335     -0.278701
  C      -3.747671      0.692277      0.822245
  O      -4.694273      1.659628      0.921830
  C      -3.583093     -0.281104      1.848115
  C      -4.454060     -0.227417      3.026749
  O      -5.460774      0.531867      3.037880
  C      -4.015399     -0.840731      4.338611
  C      -2.574263     -1.246935      1.689515
  C      -1.747067     -1.273374      0.568937
  O      -0.775434     -2.233211      0.443138
  C      -9.720950      9.318489      4.595404
  C      -9.647843      7.879979      4.163352
  O     -10.643563      7.375966      3.553566
  C      -8.488418      7.076445      4.466864
  C      -7.338576      7.595027      5.116692
  C      -6.260348      6.800396      5.446048
  O      -5.154980      7.325512      6.072441
  C      -6.264981      5.396407      5.146451
  C      -5.231243      4.488297      5.508844
  O      -5.420811      3.204442      5.311558
  C      -3.878533      4.832776      6.082567
  C      -7.406155      4.886255      4.461489
  C      -8.487037      5.683542      4.141211
  O      -9.591349      5.130004      3.560677
  C     -12.089345      5.793855      6.390575
  C     -10.780605      6.194782      7.021200
  O     -10.611505      7.352292      7.404236
  C      -9.689329      5.178978      7.232684
  C      -8.686924      5.541068      8.138017
  C      -7.637584      4.681541      8.464539
  O      -6.708295      5.097434      9.345883
  C      -7.563809      3.397840      7.840986
  C      -6.412772      2.537111      8.122513
  O      -5.589407      2.862958      9.007189
  C      -6.163196      1.249830      7.324595
  C      -8.571096      3.048597      6.923503
  C      -9.610027      3.910585      6.596871
  O     -10.494598      3.494856      5.627798
  H       0.717728     -1.330038     -1.327443
  H       0.320019     -1.036755     -3.056555
  H      -0.582871     -2.248451     -2.070055
  H      -3.006106      1.438502     -1.054142
  H      -5.243727      1.380449      1.740326
  H      -4.887042     -0.917010      5.009938
  H      -3.537271     -1.831042      4.253552
  H      -2.436312     -2.010361      2.458683
  H      -0.827766     -2.825175      1.215302
  H      -9.754107      9.374494      5.695087
  H      -8.846410      9.892911      4.256625
  H     -10.633010      9.768979      4.188683
  H      -7.306747      8.654597      5.380145
  H      -5.337770      8.261334      6.273325
  H      -3.254128      5.293804      5.280673
  H      -3.949652      5.597313      6.873774
  H      -7.437389      3.825952      4.215903
  H     -10.213467      5.954734      3.410466
  H     -12.002307      5.889608      5.296490
  H     -12.361775      4.754184      6.605151
  H     -12.863225      6.493571      6.728650
  H      -8.737810      6.524273      8.606636
  H      -6.074611      4.309368      9.429059
  H      -6.767574      1.256426      6.411183
  H      -6.530767      0.409131      7.949114
  H      -8.537122      2.099248      6.391377
  H     -10.354692      4.063223      4.825246
  N      -3.269185      2.834507      3.913607
  N      -3.407367      3.564353      2.852053
  H      -3.449689      4.582949      2.935824
  H      -3.816623      3.137412      2.008147
