87
Coordinates from ORCA-job orca E -5422.379370855258
  N      -3.933498     -3.483848      2.577994
  C      -3.931236     -4.091544      1.263170
  C      -3.146687     -5.396776      1.304936
  N      -3.596753     -6.170178      2.454900
  C      -4.817703     -6.921232      2.168230
  C      -5.693866     -6.964528      3.437297
  N      -5.909310     -5.631993      3.935428
  Mo     -4.003424     -4.796575      4.070249
  N      -2.045324     -5.191274      4.441631
  C      -1.472723     -6.269640      3.666370
  C      -2.554023     -7.061532      2.932879
  H      -0.925313     -6.990190      4.297777
  H      -0.738506     -5.884160      2.933056
  H      -3.014050     -7.763738      3.633213
  H      -2.112979     -7.642759      2.106507
  H      -6.624225     -7.501896      3.202651
  H      -5.179347     -7.573652      4.197291
  H      -5.372970     -6.396693      1.391911
  H      -4.585330     -7.933477      1.805566
  H      -3.476021     -3.456511      0.494990
  H      -4.966144     -4.290651      0.936951
  H      -2.095897     -5.144015      1.461664
  H      -3.245662     -5.967405      0.368801
  C      -1.818154      0.465840      1.368825
  C      -1.663338     -0.424959      2.339273
  C      -0.903496     -0.087349      3.588764
  C      -2.172736     -1.833155      2.225151
  C      -3.691114     -2.054431      2.542325
  C      -4.574595     -1.324313      1.509640
  C      -4.005080     -1.432129      3.902500
  C      -7.359542     -5.703910      6.838325
  C      -8.272348     -5.229439      5.998679
  C      -9.306964     -4.233325      6.431594
  C      -8.331735     -5.679969      4.571530
  C      -7.208906     -5.068909      3.649448
  C      -7.684414     -5.293918      2.190729
  C      -7.157817     -3.546834      3.830262
  C      -3.212855     -5.323093      8.360169
  C      -2.788174     -5.906102      7.241505
  C      -3.702922     -6.704248      6.371676
  C      -1.376365     -5.788679      6.766360
  C      -1.203233     -4.807489      5.550253
  C       0.303660     -4.780459      5.203526
  C      -1.552268     -3.390017      6.009042
  H      -1.446693      1.474327      1.456742
  H      -2.320686      0.228983      0.446344
  H      -1.476009     -0.343096      4.476819
  H      -0.653209      0.970827      3.620866
  H       0.024392     -0.660174      3.616267
  H      -1.632545     -2.485956      2.915267
  H      -1.987102     -2.188271      1.209206
  H      -4.496546     -0.250538      1.657512
  H      -5.613241     -1.617895      1.646161
  H      -4.289752     -1.542739      0.484025
  H      -5.066898     -1.520684      4.113643
  H      -3.439082     -1.945545      4.670125
  H      -3.746233     -0.376650      3.892004
  H      -6.659340     -6.457425      6.520840
  H      -7.301149     -5.383903      7.866680
  H     -10.284714     -4.716450      6.455380
  H      -9.369274     -3.403377      5.730863
  H      -9.092074     -3.847601      7.425732
  H      -8.233453     -6.767337      4.527563
  H      -9.301007     -5.411154      4.149769
  H      -7.788341     -6.346732      1.940253
  H      -6.980319     -4.831744      1.502782
  H      -8.654832     -4.823236      2.043530
  H      -8.019444     -3.078161      3.358095
  H      -7.150229     -3.260767      4.876766
  H      -6.242942     -3.197138      3.357439
  H      -4.225706     -5.436038      8.714252
  H      -2.556083     -4.740956      8.984430
  H      -3.906233     -6.127306      5.438262
  H      -3.232342     -7.646006      6.086467
  H      -4.638979     -6.921284      6.882173
  H      -0.734409     -5.439436      7.576402
  H      -1.020226     -6.774945      6.456522
  H       0.719664     -5.774886      5.061915
  H       0.852040     -4.301057      6.011451
  H       0.461737     -4.205649      4.293283
  H      -2.622459     -3.300963      6.143086
  H      -1.048684     -3.155911      6.944375
  H      -1.230392     -2.680198      5.252453
  N      -4.807842     -3.324151      5.382415
  H      -4.092557     -2.715441      5.777639
  H      -5.300609     -3.730701      6.176303
  H      -5.476898     -2.708956      4.921698
87
Coordinates from ORCA-job orca E -5422.405816285217
  N      -3.913784     -3.383403      2.687244
  C      -3.907542     -3.963128      1.352067
  C      -3.125137     -5.257247      1.349547
  N      -3.586069     -6.073154      2.465133
  C      -4.811715     -6.818844      2.132486
  C      -5.693588     -6.919795      3.392991
  N      -5.927544     -5.604619      3.953999
  Mo     -4.022178     -4.772211      4.151269
  N      -2.062842     -5.190358      4.523698
  C      -1.473575     -6.233629      3.700423
  C      -2.540428     -6.990128      2.919132
  H      -0.932777     -6.982462      4.304509
  H      -0.729231     -5.812114      2.997241
  H      -3.008225     -7.725521      3.582839
  H      -2.090649     -7.533622      2.070982
  H      -6.620126     -7.452781      3.130910
  H      -5.178034     -7.560594      4.128532
  H      -5.364138     -6.263498      1.371711
  H      -4.570129     -7.814620      1.728236
  H      -3.442766     -3.304943      0.607810
  H      -4.941923     -4.146782      1.010689
  H      -2.072971     -5.008965      1.520656
  H      -3.217430     -5.796053      0.393217
  C      -1.725421      0.378714      1.009576
  C      -1.571496     -0.399062      2.081838
  C      -0.769319      0.059511      3.268393
  C      -2.127044     -1.797338      2.147052
  C      -3.645044     -1.933237      2.521320
  C      -4.556729     -1.313300      1.441720
  C      -3.880828     -1.106268      3.775651
  C      -7.378432     -5.810823      6.855203
  C      -8.317555     -5.358469      6.020861
  C      -9.405130     -4.428277      6.478632
  C      -8.351224     -5.771414      4.576616
  C      -7.261202     -5.076258      3.675215
  C      -7.709813     -5.278315      2.204084
  C      -7.307519     -3.558941      3.896408
  C      -3.256479     -5.515144      8.444060
  C      -2.824803     -6.045183      7.295747
  C      -3.743356     -6.798534      6.384203
  C      -1.405870     -5.909066      6.830264
  C      -1.220023     -4.865224      5.667253
  C       0.287157     -4.826694      5.322245
  C      -1.559524     -3.473058      6.206778
  H      -1.319671      1.383156      0.969172
  H      -2.260549      0.047355      0.127912
  H      -1.327329     -0.070481      4.198564
  H      -0.484717      1.109022      3.170091
  H       0.145260     -0.538527      3.346463
  H      -1.585618     -2.382312      2.899662
  H      -1.977656     -2.278458      1.174313
  H      -4.453828     -0.227757      1.456375
  H      -5.599061     -1.566079      1.651142
  H      -4.315509     -1.659996      0.435805
  H      -4.936270     -1.111008      4.036090
  H      -3.292376     -1.510483      4.588115
  H      -3.585994     -0.073087      3.588381
  H      -6.635377     -6.521914      6.518443
  H      -7.339890     -5.514699      7.897894
  H     -10.361807     -4.961873      6.484611
  H      -9.510756     -3.578482      5.799177
  H      -9.213612     -4.058348      7.488098
  H      -8.196512     -6.853743      4.500186
  H      -9.335300     -5.541165      4.157302
  H      -7.757684     -6.330797      1.918089
  H      -7.022453     -4.757675      1.533480
  H      -8.705173     -4.851863      2.061838
  H      -8.197258     -3.132642      3.428463
  H      -7.328904     -3.301727      4.954734
  H      -6.414810     -3.132482      3.436274
  H      -4.277975     -5.643050      8.786332
  H      -2.597130     -4.964045      9.103556
  H      -3.939348     -6.179948      5.474021
  H      -3.276358     -7.730023      6.050136
  H      -4.687511     -7.034852      6.877452
  H      -0.762780     -5.603385      7.660985
  H      -1.051721     -6.883709      6.471339
  H       0.700110     -5.817790      5.125963
  H       0.838721     -4.393401      6.158975
  H       0.450986     -4.200866      4.441329
  H      -2.630434     -3.381915      6.350823
  H      -1.054058     -3.296095      7.157891
  H      -1.231497     -2.717732      5.490964
  N      -4.814808     -3.373862      5.572732
  H      -4.103979     -2.793078      6.013513
  H      -5.307433     -3.842750      6.339723
  H      -5.483565     -2.730057      5.161989
87
Coordinates from ORCA-job orca E -5422.419183482699
  N      -3.931603     -3.376424      2.643831
  C      -3.936993     -3.990237      1.302225
  C      -3.140509     -5.276772      1.309146
  N      -3.592354     -6.090054      2.446364
  C      -4.825724     -6.859978      2.132050
  C      -5.688632     -6.938208      3.400593
  N      -5.932059     -5.594303      3.925235
  Mo     -4.038753     -4.750655      4.122900
  N      -2.076735     -5.172141      4.509166
  C      -1.476621     -6.228220      3.690934
  C      -2.533254     -7.003170      2.922074
  H      -0.931672     -6.965354      4.305758
  H      -0.730362     -5.808502      2.988520
  H      -3.001874     -7.733681      3.595982
  H      -2.083662     -7.558522      2.080351
  H      -6.613730     -7.486146      3.164588
  H      -5.163667     -7.558561      4.150747
  H      -5.388833     -6.324144      1.359508
  H      -4.571564     -7.861339      1.744536
  H      -3.479639     -3.345541      0.545137
  H      -4.974040     -4.181207      0.965675
  H      -2.084343     -5.020763      1.467742
  H      -3.234572     -5.833288      0.361644
  C      -1.677122      0.431458      1.064951
  C      -1.528533     -0.393323      2.110898
  C      -0.704003      0.000187      3.310013
  C      -2.116417     -1.785311      2.126413
  C      -3.638716     -1.909652      2.514897
  C      -4.564729     -1.232081      1.478035
  C      -3.848207     -1.131860      3.814078
  C      -7.344119     -5.754406      6.863889
  C      -8.307860     -5.353065      6.020993
  C      -9.423675     -4.445245      6.465129
  C      -8.341146     -5.805831      4.581989
  C      -7.293550     -5.095469      3.644303
  C      -7.742424     -5.359523      2.182591
  C      -7.400765     -3.572155      3.823198
  C      -3.234933     -5.483100      8.472507
  C      -2.817176     -6.022930      7.317780
  C      -3.758266     -6.789915      6.432332
  C      -1.399868     -5.887710      6.824908
  C      -1.216748     -4.842380      5.661133
  C       0.281829     -4.821087      5.280745
  C      -1.522926     -3.444893      6.211595
  H      -1.246593      1.434539      1.060732
  H      -2.229183      0.139598      0.169388
  H      -1.256679     -0.154023      4.248293
  H      -0.391284      1.050549      3.252959
  H       0.201158     -0.626541      3.361071
  H      -1.572612     -2.411160      2.850885
  H      -1.979504     -2.233990      1.132142
  H      -4.442168     -0.144727      1.539524
  H      -5.612888     -1.476338      1.702378
  H      -4.355597     -1.531646      0.445247
  H      -4.908811     -1.127147      4.095911
  H      -3.244736     -1.563373      4.618870
  H      -3.543385     -0.091134      3.662485
  H      -6.577251     -6.456582      6.539329
  H      -7.310306     -5.425723      7.905324
  H     -10.371131     -5.007359      6.487747
  H      -9.563945     -3.609651      5.763353
  H      -9.240777     -4.042251      7.469903
  H      -8.152198     -6.888653      4.526982
  H      -9.342007     -5.623019      4.165959
  H      -7.755966     -6.426355      1.924842
  H      -7.078393     -4.832799      1.482799
  H      -8.758972     -4.972784      2.038008
  H      -8.323847     -3.199645      3.363759
  H      -7.416983     -3.283654      4.881436
  H      -6.543352     -3.102952      3.321750
  H      -4.261052     -5.606345      8.826986
  H      -2.559035     -4.926102      9.123778
  H      -3.959997     -6.188654      5.507230
  H      -3.302250     -7.729624      6.089914
  H      -4.706543     -7.010993      6.933263
  H      -0.738928     -5.583679      7.647996
  H      -1.051105     -6.868811      6.461658
  H       0.681538     -5.821431      5.071860
  H       0.858835     -4.395248      6.111480
  H       0.437314     -4.189632      4.394146
  H      -2.586680     -3.338200      6.408562
  H      -0.982011     -3.274896      7.150369
  H      -1.212768     -2.682043      5.484335
  N      -4.826513     -3.328300      5.569204
  H      -4.121529     -2.732871      6.011759
  H      -5.316143     -3.806379      6.339546
  H      -5.509262     -2.691945      5.156593
87
Coordinates from ORCA-job orca E -5422.426789877686
  N      -3.960056     -3.383448      2.609035
  C      -3.976328     -4.007167      1.263847
  C      -3.152886     -5.278844      1.269828
  N      -3.589173     -6.100804      2.419018
  C      -4.822981     -6.892766      2.113472
  C      -5.675072     -6.963447      3.383578
  N      -5.924021     -5.602636      3.892119
  Mo     -4.058457     -4.742992      4.092986
  N      -2.096799     -5.152939      4.498593
  C      -1.475925     -6.207904      3.679329
  C      -2.514924     -7.001917      2.910850
  H      -0.924049     -6.933671      4.300399
  H      -0.730150     -5.776342      2.984991
  H      -2.983846     -7.734276      3.584101
  H      -2.060177     -7.557539      2.072247
  H      -6.599031     -7.519542      3.164932
  H      -5.147626     -7.571664      4.141820
  H      -5.389239     -6.367553      1.334429
  H      -4.551818     -7.892129      1.731540
  H      -3.535567     -3.351649      0.502446
  H      -5.013904     -4.209071      0.936653
  H      -2.097153     -5.011362      1.420299
  H      -3.244042     -5.844883      0.327469
  C      -1.661099      0.422313      1.094817
  C      -1.514069     -0.426968      2.124649
  C      -0.672641     -0.073532      3.324784
  C      -2.126641     -1.811077      2.115292
  C      -3.644923     -1.917749      2.516969
  C      -4.565719     -1.223621      1.492557
  C      -3.838185     -1.171406      3.840490
  C      -7.329435     -5.767565      6.861545
  C      -8.288711     -5.348268      6.018956
  C      -9.391083     -4.426798      6.469476
  C      -8.332366     -5.794826      4.574833
  C      -7.292377     -5.092073      3.626196
  C      -7.751068     -5.348495      2.167973
  C      -7.365927     -3.568536      3.823137
  C      -3.226362     -5.473535      8.494432
  C      -2.810231     -6.015192      7.337692
  C      -3.752902     -6.810079      6.478398
  C      -1.400459     -5.853097      6.824731
  C      -1.237417     -4.806144      5.663857
  C       0.256259     -4.757394      5.269532
  C      -1.568146     -3.415413      6.215404
  H      -1.212923      1.420065      1.108861
  H      -2.226886      0.152800      0.197645
  H      -1.217730     -0.237596      4.269066
  H      -0.337877      0.972962      3.290090
  H       0.221961     -0.720563      3.360382
  H      -1.581851     -2.461014      2.820135
  H      -2.003005     -2.243379      1.110253
  H      -4.428991     -0.136198      1.563623
  H      -5.617809     -1.456949      1.720308
  H      -4.365599     -1.514140      0.452173
  H      -4.899823     -1.152169      4.133220
  H      -3.229963     -1.612266      4.644220
  H      -3.521696     -0.129207      3.708561
  H      -6.573885     -6.482147      6.533713
  H      -7.293847     -5.441678      7.906465
  H     -10.351767     -4.971138      6.484761
  H      -9.521505     -3.581547      5.773456
  H      -9.206428     -4.031980      7.479282
  H      -8.162045     -6.881428      4.509913
  H      -9.336607     -5.600237      4.166264
  H      -7.779147     -6.414936      1.902532
  H      -7.089349     -4.825396      1.459774
  H      -8.767443     -4.951761      2.034683
  H      -8.295964     -3.176589      3.390716
  H      -7.355485     -3.291014      4.887890
  H      -6.518586     -3.090898      3.303556
  H      -4.250259     -5.611719      8.856400
  H      -2.550183     -4.898822      9.134338
  H      -3.968495     -6.229780      5.541683
  H      -3.291653     -7.747391      6.129410
  H      -4.698434     -7.033081      6.984267
  H      -0.736631     -5.535413      7.642766
  H      -1.033186     -6.829897      6.462462
  H       0.676269     -5.749726      5.054608
  H       0.833104     -4.322743      6.098788
  H       0.395482     -4.117714      4.383600
  H      -2.631106     -3.327207      6.450372
  H      -1.013190     -3.233789      7.145937
  H      -1.292057     -2.639338      5.484714
  N      -4.858757     -3.313052      5.572155
  H      -4.172358     -2.699435      6.022182
  H      -5.340906     -3.811256      6.335382
  H      -5.560748     -2.694708      5.156532
87
Coordinates from ORCA-job orca E -5422.432083710947
  N      -3.988907     -3.376878      2.581442
  C      -4.019716     -4.001992      1.237493
  C      -3.178920     -5.262873      1.239233
  N      -3.599291     -6.089767      2.394960
  C      -4.829389     -6.898351      2.100837
  C      -5.666538     -6.966118      3.375461
  N      -5.918555     -5.596144      3.865380
  Mo     -4.082354     -4.718958      4.066502
  N      -2.125157     -5.126172      4.489346
  C      -1.489745     -6.173355      3.665764
  C      -2.515762     -6.978487      2.895954
  H      -0.931155     -6.891609      4.289304
  H      -0.746667     -5.727582      2.979011
  H      -2.986196     -7.712013      3.566291
  H      -2.058558     -7.532237      2.058044
  H      -6.592456     -7.527386      3.175836
  H      -5.135245     -7.559900      4.140638
  H      -5.399333     -6.381462      1.319479
  H      -4.543090     -7.893844      1.721760
  H      -3.594782     -3.336036      0.474405
  H      -5.058105     -4.209444      0.923091
  H      -2.124141     -4.990201      1.381754
  H      -3.271494     -5.835616      0.301277
  C      -1.623679      0.406039      1.138378
  C      -1.483305     -0.471183      2.144957
  C      -0.623388     -0.168209      3.343092
  C      -2.128502     -1.840608      2.106808
  C      -3.640081     -1.920654      2.524189
  C      -4.551962     -1.191689      1.522192
  C      -3.807746     -1.211029      3.867762
  C      -7.291948     -5.724874      6.855535
  C      -8.263742     -5.334687      6.013904
  C      -9.374088     -4.421160      6.456208
  C      -8.312156     -5.809224      4.578862
  C      -7.300356     -5.106501      3.607429
  C      -7.755116     -5.409116      2.162419
  C      -7.397547     -3.584674      3.778145
  C      -3.203381     -5.466427      8.511606
  C      -2.797601     -6.008868      7.351644
  C      -3.744336     -6.824147      6.521599
  C      -1.400846     -5.825504      6.813768
  C      -1.262766     -4.773403      5.661664
  C       0.222998     -4.700063      5.248437
  C      -1.612382     -3.394460      6.222445
  H      -1.153217      1.391780      1.174004
  H      -2.203964      0.167878      0.243194
  H      -1.160238     -0.342292      4.289894
  H      -0.261298      0.869016      3.333341
  H       0.253780     -0.838771      3.358434
  H      -1.587777     -2.519800      2.786291
  H      -2.025015     -2.251440      1.090992
  H      -4.390893     -0.108540      1.608118
  H      -5.606781     -1.403872      1.754094
  H      -4.366186     -1.468090      0.475972
  H      -4.864525     -1.169810      4.171632
  H      -3.201634     -1.671962      4.660697
  H      -3.469494     -0.172521      3.757548
  H      -6.530852     -6.434628      6.533866
  H      -7.253354     -5.378218      7.892644
  H     -10.329528     -4.973272      6.482884
  H      -9.521502     -3.588280      5.749469
  H      -9.192155     -4.007891      7.458280
  H      -8.127806     -6.893861      4.529855
  H      -9.324325     -5.642009      4.177527
  H      -7.761019     -6.481972      1.924142
  H      -7.109973     -4.891988      1.436315
  H      -8.781035     -5.039623      2.023762
  H      -8.344755     -3.221726      3.356721
  H      -7.381985     -3.290173      4.836549
  H      -6.577672     -3.086736      3.235654
  H      -4.220451     -5.617236      8.885047
  H      -2.525508     -4.877620      9.134988
  H      -3.977137     -6.263907      5.579486
  H      -3.282805     -7.759928      6.168162
  H      -4.682355     -7.047250      7.039032
  H      -0.731061     -5.500524      7.624079
  H      -1.021159     -6.795415      6.447329
  H       0.657001     -5.682307      5.020019
  H       0.804672     -4.264594      6.073657
  H       0.342972     -4.049622      4.368638
  H      -2.667038     -3.328812      6.503538
  H      -1.035680     -3.205954      7.138351
  H      -1.376983     -2.605391      5.492919
  N      -4.873535     -3.282800      5.587256
  H      -4.200549     -2.659771      6.041272
  H      -5.345084     -3.801160      6.341847
  H      -5.588692     -2.679513      5.175032
87
Coordinates from ORCA-job orca E -5422.439349745760
  N      -4.007164     -3.370153      2.554746
  C      -4.037065     -3.994804      1.210970
  C      -3.186144     -5.248143      1.215318
  N      -3.604143     -6.076731      2.373070
  C      -4.830639     -6.896893      2.076809
  C      -5.666459     -6.965596      3.350008
  N      -5.916441     -5.588745      3.835289
  Mo     -4.109468     -4.692346      4.046402
  N      -2.158212     -5.106391      4.496401
  C      -1.507378     -6.147063      3.669703
  C      -2.518023     -6.957181      2.887089
  H      -0.949261     -6.862079      4.297467
  H      -0.761271     -5.688637      2.995545
  H      -2.995205     -7.692529      3.550019
  H      -2.052946     -7.507702      2.051618
  H      -6.594734     -7.526532      3.161195
  H      -5.136488     -7.552786      4.119734
  H      -5.395807     -6.383391      1.290987
  H      -4.530971     -7.888381      1.698834
  H      -3.619775     -3.319815      0.451220
  H      -5.073611     -4.206702      0.899042
  H      -2.133072     -4.973027      1.359825
  H      -3.273613     -5.826514      0.280259
  C      -1.589323      0.382705      1.136624
  C      -1.462152     -0.497412      2.141289
  C      -0.604401     -0.208159      3.341368
  C      -2.125097     -1.858581      2.096433
  C      -3.635946     -1.919383      2.509221
  C      -4.533947     -1.179270      1.505983
  C      -3.803740     -1.217699      3.850810
  C      -7.252895     -5.743232      6.836101
  C      -8.235707     -5.349473      6.010381
  C      -9.340671     -4.441474      6.471683
  C      -8.300642     -5.816642      4.574148
  C      -7.309030     -5.105605      3.592939
  C      -7.771865     -5.406755      2.154015
  C      -7.406551     -3.588680      3.775344
  C      -3.177537     -5.471103      8.548571
  C      -2.787727     -6.017437      7.385207
  C      -3.738936     -6.851444      6.585238
  C      -1.405582     -5.818824      6.819737
  C      -1.288865     -4.759855      5.676614
  C       0.189453     -4.671454      5.245158
  C      -1.643096     -3.393207      6.253757
  H      -1.107336      1.361253      1.177449
  H      -2.168527      0.150156      0.241232
  H      -1.144940     -0.375259      4.286428
  H      -0.226321      0.822456      3.336426
  H       0.261686     -0.891598      3.363415
  H      -1.592342     -2.546234      2.773004
  H      -2.023573     -2.267824      1.080483
  H      -4.360428     -0.098145      1.589426
  H      -5.591809     -1.376076      1.732554
  H      -4.346403     -1.458349      0.461978
  H      -4.859149     -1.158334      4.148158
  H      -3.209357     -1.678792      4.648338
  H      -3.450727     -0.183339      3.743392
  H      -6.496427     -6.449014      6.499180
  H      -7.201809     -5.402782      7.873438
  H     -10.296330     -4.991358      6.502324
  H      -9.498298     -3.603113      5.775017
  H      -9.150717     -4.036010      7.474383
  H      -8.115712     -6.900044      4.516392
  H      -9.319350     -5.654219      4.188239
  H      -7.773851     -6.477705      1.912572
  H      -7.139282     -4.884971      1.422439
  H      -8.801449     -5.044771      2.025084
  H      -8.364622     -3.229265      3.375191
  H      -7.378273     -3.303325      4.834101
  H      -6.605550     -3.073727      3.224046
  H      -4.185949     -5.631746      8.937425
  H      -2.495671     -4.868894      9.152173
  H      -3.988563     -6.312189      5.638791
  H      -3.276714     -7.787309      6.232784
  H      -4.667580     -7.075212      7.117791
  H      -0.726919     -5.490225      7.620967
  H      -1.019605     -6.783305      6.447996
  H       0.629011     -5.646056      5.000389
  H       0.779750     -4.241990      6.066751
  H       0.294599     -4.009383      4.373462
  H      -2.686585     -3.343329      6.575215
  H      -1.044951     -3.208534      7.156681
  H      -1.436758     -2.591400      5.531733
  N      -4.900254     -3.243861      5.602507
  H      -4.244278     -2.611817      6.064651
  H      -5.367344     -3.781608      6.345245
  H      -5.623238     -2.655103      5.185411
87
Coordinates from ORCA-job orca E -5422.442416383448
  N      -4.030566     -3.356924      2.543304
  C      -4.067867     -3.977867      1.204245
  C      -3.204166     -5.220987      1.204417
  N      -3.610133     -6.051126      2.359713
  C      -4.822854     -6.884795      2.064762
  C      -5.655708     -6.962004      3.338261
  N      -5.917388     -5.588936      3.814135
  Mo     -4.133603     -4.672498      4.030345
  N      -2.192210     -5.079381      4.507764
  C      -1.523444     -6.096878      3.672632
  C      -2.518685     -6.914469      2.879676
  H      -0.955417     -6.808679      4.294675
  H      -0.785073     -5.617659      3.004483
  H      -2.991767     -7.656736      3.537693
  H      -2.040564     -7.456796      2.046075
  H      -6.579020     -7.531517      3.156390
  H      -5.116929     -7.537733      4.110609
  H      -5.393528     -6.379293      1.278035
  H      -4.508535     -7.872272      1.688370
  H      -3.666948     -3.297658      0.442078
  H      -5.105427     -4.202447      0.903689
  H      -2.153569     -4.935576      1.345794
  H      -3.289504     -5.801023      0.270055
  C      -1.523847      0.330594      1.112045
  C      -1.412707     -0.552937      2.114297
  C      -0.540148     -0.286751      3.308119
  C      -2.111658     -1.895538      2.073094
  C      -3.619285     -1.918290      2.501567
  C      -4.507878     -1.144860      1.511762
  C      -3.760027     -1.222912      3.847533
  C      -7.230881     -5.769306      6.832862
  C      -8.219365     -5.370672      6.018315
  C      -9.320526     -4.465571      6.492568
  C      -8.295322     -5.831802      4.581865
  C      -7.316360     -5.114394      3.592258
  C      -7.792734     -5.411951      2.157042
  C      -7.410277     -3.598628      3.779758
  C      -3.169039     -5.505439      8.566609
  C      -2.784707     -6.036432      7.394945
  C      -3.724917     -6.886891      6.599241
  C      -1.415231     -5.800617      6.816648
  C      -1.333514     -4.722909      5.689626
  C       0.142012     -4.577519      5.261949
  C      -1.739863     -3.376256      6.277639
  H      -1.016569      1.295810      1.150239
  H      -2.114559      0.113189      0.221107
  H      -1.080345     -0.433819      4.256080
  H      -0.130629      0.731325      3.297904
  H       0.303984     -0.996412      3.328263
  H      -1.589867     -2.599179      2.741268
  H      -2.031957     -2.303558      1.055044
  H      -4.301476     -0.070171      1.595240
  H      -5.568007     -1.309809      1.750533
  H      -4.341105     -1.425610      0.465334
  H      -4.811076     -1.139650      4.152137
  H      -3.171204     -1.704166      4.635524
  H      -3.382712     -0.196993      3.743756
  H      -6.475837     -6.470645      6.484671
  H      -7.172528     -5.436370      7.871564
  H     -10.276695     -5.013737      6.520534
  H      -9.478769     -3.620240      5.805433
  H      -9.126212     -4.071076      7.498372
  H      -8.109332     -6.914378      4.518599
  H      -9.318326     -5.672114      4.207484
  H      -7.794253     -6.481476      1.912419
  H      -7.169152     -4.885700      1.421620
  H      -8.824276     -5.053290      2.038422
  H      -8.377878     -3.240282      3.402632
  H      -7.360783     -3.314861      4.837468
  H      -6.622433     -3.082025      3.213024
  H      -4.166794     -5.691689      8.968407
  H      -2.492710     -4.891592      9.163524
  H      -3.989819     -6.354904      5.655534
  H      -3.247890     -7.816598      6.250403
  H      -4.644472     -7.126952      7.140757
  H      -0.736837     -5.467148      7.615811
  H      -1.009154     -6.750494      6.430397
  H       0.615354     -5.531943      5.003449
  H       0.716887     -4.141498      6.090421
  H       0.225873     -3.898384      4.401585
  H      -2.776084     -3.380972      6.625579
  H      -1.129201     -3.165497      7.166257
  H      -1.587941     -2.563572      5.555405
  N      -4.935146     -3.238798      5.608503
  H      -4.291980     -2.597854      6.076168
  H      -5.392612     -3.796764      6.341480
  H      -5.670388     -2.665240      5.191541
87
Coordinates from ORCA-job orca E -5422.445209227621
  N      -4.038922     -3.335987      2.532346
  C      -4.082827     -3.955217      1.198875
  C      -3.214672     -5.193896      1.197394
  N      -3.618082     -6.021102      2.350695
  C      -4.820625     -6.860778      2.055504
  C      -5.650906     -6.943711      3.329573
  N      -5.920017     -5.575368      3.796323
  Mo     -4.152102     -4.645087      4.015498
  N      -2.226557     -5.060997      4.529175
  C      -1.545482     -6.054637      3.682879
  C      -2.527926     -6.873607      2.877664
  H      -0.970410     -6.768262      4.296381
  H      -0.812565     -5.556948      3.021551
  H      -2.999305     -7.621629      3.530481
  H      -2.036245     -7.409430      2.047352
  H      -6.571887     -7.517728      3.151955
  H      -5.105336     -7.512650      4.102499
  H      -5.396604     -6.360867      1.268803
  H      -4.497948     -7.846327      1.680451
  H      -3.698009     -3.271718      0.431751
  H      -5.121552     -4.192386      0.910344
  H      -2.165003     -4.903069      1.336234
  H      -3.299967     -5.775865      0.263888
  C      -1.468858      0.297001      1.074847
  C      -1.376929     -0.574218      2.089498
  C      -0.510823     -0.302293      3.287096
  C      -2.092905     -1.907332      2.060952
  C      -3.603133     -1.905619      2.481373
  C      -4.476918     -1.128389      1.478191
  C      -3.752788     -1.198947      3.820240
  C      -7.187301     -5.750774      6.831627
  C      -8.193068     -5.369776      6.029715
  C      -9.297555     -4.472777      6.511848
  C      -8.283069     -5.844786      4.599047
  C      -7.327536     -5.121464      3.591695
  C      -7.811006     -5.442198      2.163092
  C      -7.444166     -3.605434      3.762298
  C      -3.145080     -5.576468      8.595181
  C      -2.776563     -6.086533      7.409441
  C      -3.714559     -6.938539      6.613436
  C      -1.420619     -5.823011      6.813164
  C      -1.371024     -4.715790      5.713411
  C       0.099289     -4.531149      5.280618
  C      -1.800915     -3.395332      6.340553
  H      -0.949745      1.256319      1.103230
  H      -2.055722      0.074938      0.182294
  H      -1.063433     -0.422592      4.231646
  H      -0.083744      0.708284      3.262379
  H       0.320346     -1.026142      3.327679
  H      -1.583966     -2.610792      2.739216
  H      -2.015117     -2.326994      1.047421
  H      -4.253415     -0.056524      1.547450
  H      -5.540108     -1.273452      1.716297
  H      -4.311021     -1.426527      0.435851
  H      -4.807183     -1.104965      4.109356
  H      -3.180744     -1.685817      4.614868
  H      -3.363501     -0.177552      3.716114
  H      -6.427131     -6.443226      6.475937
  H      -7.116601     -5.410611      7.867381
  H     -10.248065     -5.029906      6.550520
  H      -9.468675     -3.631131      5.823407
  H      -9.096068     -4.073883      7.514519
  H      -8.082149     -6.925130      4.543102
  H      -9.313333     -5.704287      4.237490
  H      -7.796123     -6.514712      1.931512
  H      -7.200424     -4.913658      1.418156
  H      -8.849078     -5.102476      2.046944
  H      -8.424316     -3.269806      3.396974
  H      -7.387708     -3.307482      4.815225
  H      -6.672466     -3.084477      3.177997
  H      -4.132806     -5.780940      9.012790
  H      -2.466223     -4.961807      9.188334
  H      -3.991149     -6.405435      5.677607
  H      -3.229999     -7.865218      6.266283
  H      -4.624930     -7.190671      7.166281
  H      -0.733074     -5.500450      7.609183
  H      -1.007442     -6.757560      6.398734
  H       0.587413     -5.469706      4.991876
  H       0.672494     -4.109282      6.117252
  H       0.165361     -3.826206      4.439313
  H      -2.824115     -3.447138      6.721218
  H      -1.167188     -3.182271      7.212627
  H      -1.694087     -2.565256      5.632143
  N      -4.950989     -3.219682      5.609713
  H      -4.312997     -2.576982      6.081409
  H      -5.405926     -3.791560      6.333398
  H      -5.690469     -2.653612      5.190768
87
Coordinates from ORCA-job orca E -5422.447656698445
  N      -4.044957     -3.315205      2.515379
  C      -4.093292     -3.939361      1.184778
  C      -3.220788     -5.176205      1.185114
  N      -3.622613     -5.998743      2.341139
  C      -4.816135     -6.847864      2.045744
  C      -5.646788     -6.933885      3.320032
  N      -5.924877     -5.567211      3.778471
  Mo     -4.167439     -4.620872      3.996244
  N      -2.259919     -5.041949      4.550064
  C      -1.561890     -6.013201      3.693892
  C      -2.529481     -6.839375      2.877470
  H      -0.976757     -6.726152      4.298662
  H      -0.835981     -5.497739      3.037890
  H      -2.995473     -7.593755      3.526908
  H      -2.021662     -7.369436      2.052811
  H      -6.563914     -7.514654      3.144299
  H      -5.095242     -7.497551      4.092731
  H      -5.398504     -6.356376      1.258248
  H      -4.485936     -7.832503      1.673981
  H      -3.722339     -3.257968      0.409609
  H      -5.132216     -4.189530      0.906791
  H      -2.172127     -4.879691      1.320789
  H      -3.305138     -5.761713      0.253551
  C      -1.419709      0.276101      1.040682
  C      -1.340644     -0.596058      2.056063
  C      -0.471564     -0.335728      3.255217
  C      -2.076459     -1.917536      2.029923
  C      -3.582744     -1.891676      2.458490
  C      -4.449479     -1.094864      1.462490
  C      -3.717318     -1.183659      3.799600
  C      -7.141629     -5.722231      6.837287
  C      -8.164722     -5.362548      6.046312
  C      -9.272335     -4.471877      6.534168
  C      -8.270869     -5.856975      4.622750
  C      -7.340215     -5.132347      3.594097
  C      -7.839984     -5.472258      2.173934
  C      -7.476590     -3.615603      3.747801
  C      -3.134473     -5.663931      8.622922
  C      -2.772338     -6.141809      7.422036
  C      -3.698608     -6.999076      6.616459
  C      -1.429639     -5.834200      6.814587
  C      -1.417140     -4.698210      5.740405
  C       0.047958     -4.459975      5.312597
  C      -1.888597     -3.407983      6.402084
  H      -0.886573      1.228000      1.067107
  H      -2.010417      0.062832      0.148041
  H      -1.029825     -0.442063      4.198453
  H      -0.026258      0.666958      3.226661
  H       0.346026     -1.074766      3.299518
  H      -1.575723     -2.629636      2.705175
  H      -2.013459     -2.337498      1.015188
  H      -4.202144     -0.028214      1.531175
  H      -5.512990     -1.218819      1.711647
  H      -4.299873     -1.394453      0.418076
  H      -4.770354     -1.081213      4.091691
  H      -3.149178     -1.686171      4.587462
  H      -3.315675     -0.166731      3.699336
  H      -6.377347     -6.408862      6.478568
  H      -7.059394     -5.370249      7.868569
  H     -10.216783     -5.038206      6.587123
  H      -9.456964     -3.636785      5.841053
  H      -9.062335     -4.064411      7.531770
  H      -8.055494     -6.935106      4.576591
  H      -9.308258     -5.734765      4.274970
  H      -7.815167     -6.546896      1.952694
  H      -7.243960     -4.942915      1.417457
  H      -8.883462     -5.145903      2.067490
  H      -8.468787     -3.300293      3.397288
  H      -7.407476     -3.302365      4.795705
  H      -6.721345     -3.094092      3.142705
  H      -4.111236     -5.898316      9.051506
  H      -2.460973     -5.046550      9.219751
  H      -3.984866     -6.460891      5.689230
  H      -3.197432     -7.917363      6.269803
  H      -4.600642     -7.272694      7.174188
  H      -0.738549     -5.516441      7.609736
  H      -0.999968     -6.748203      6.372398
  H       0.561512     -5.377001      4.998759
  H       0.609563     -4.044855      6.160334
  H       0.093664     -3.731822      4.489607
  H      -2.901610     -3.514722      6.800975
  H      -1.244461     -3.184024      7.263642
  H      -1.826676     -2.562195      5.706888
  N      -4.966988     -3.202784      5.593736
  H      -4.331356     -2.559580      6.067151
  H      -5.422020     -3.782108      6.311720
  H      -5.708269     -2.641920      5.171399
87
Coordinates from ORCA-job orca E -5422.450034109968
  N      -4.042646     -3.292590      2.495898
  C      -4.094972     -3.928652      1.168071
  C      -3.219926     -5.166012      1.173930
  N      -3.624126     -5.981856      2.336002
  C      -4.811405     -6.839772      2.039995
  C      -5.644036     -6.925159      3.313962
  N      -5.930347     -5.557042      3.763083
  Mo     -4.178200     -4.595948      3.977560
  N      -2.291939     -5.028180      4.576282
  C      -1.575998     -5.978906      3.710501
  C      -2.528292     -6.813426      2.883128
  H      -0.981138     -6.690799      4.306933
  H      -0.856126     -5.447515      3.060515
  H      -2.989755     -7.573426      3.529254
  H      -2.004099     -7.338670      2.065664
  H      -6.556712     -7.512792      3.138443
  H      -5.088427     -7.484374      4.087134
  H      -5.398722     -6.356457      1.250690
  H      -4.476320     -7.824725      1.673216
  H      -3.736669     -3.252961      0.382136
  H      -5.134101     -4.190924      0.901708
  H      -2.171700     -4.866394      1.307002
  H      -3.303669     -5.756355      0.245564
  C      -1.383200      0.267380      0.994888
  C      -1.314543     -0.595879      2.019068
  C      -0.449443     -0.328975      3.221068
  C      -2.058155     -1.912937      2.002488
  C      -3.564172     -1.873174      2.427532
  C      -4.422270     -1.074632      1.425518
  C      -3.699251     -1.156287      3.765724
  C      -7.091270     -5.690611      6.846216
  C      -8.130326     -5.347557      6.067342
  C      -9.237008     -4.460018      6.564395
  C      -8.257402     -5.858187      4.650097
  C      -7.350382     -5.136380      3.598510
  C      -7.870578     -5.492046      2.187629
  C      -7.497870     -3.617892      3.735914
  C      -3.127091     -5.778296      8.651008
  C      -2.768572     -6.216074      7.434067
  C      -3.681947     -7.072683      6.611269
  C      -1.439284     -5.860962      6.820395
  C      -1.463029     -4.693394      5.776632
  C      -0.005109     -4.404036      5.354860
  C      -1.970822     -3.439144      6.481454
  H      -0.844444      1.216613      1.013530
  H      -1.971145      0.050277      0.100877
  H      -1.015195     -0.419083      4.161567
  H       0.004310      0.669724      3.181935
  H       0.361686     -1.074439      3.277465
  H      -1.563327     -2.622479      2.684822
  H      -1.999094     -2.341618      0.991041
  H      -4.160103     -0.010901      1.486593
  H      -5.486506     -1.184443      1.679098
  H      -4.279205     -1.383665      0.382655
  H      -4.754049     -1.052180      4.051755
  H      -3.138274     -1.666729      4.554814
  H      -3.291938     -0.141816      3.667450
  H      -6.325993     -6.375154      6.484753
  H      -6.996356     -5.327761      7.873009
  H     -10.177034     -5.032247      6.632631
  H      -9.433583     -3.629938      5.868288
  H      -9.015297     -4.046104      7.556979
  H      -8.032091     -6.934722      4.611231
  H      -9.301627     -5.748245      4.318786
  H      -7.842719     -6.568472      1.975172
  H      -7.287107     -4.965106      1.419200
  H      -8.917386     -5.172245      2.093801
  H      -8.499789     -3.316222      3.401742
  H      -7.410488     -3.289530      4.778193
  H      -6.757148     -3.101108      3.108763
  H      -4.093901     -6.043384      9.085240
  H      -2.460519     -5.161992      9.257336
  H      -3.974073     -6.521465      5.696364
  H      -3.163564     -7.979477      6.258864
  H      -4.577490     -7.371521      7.168001
  H      -0.745009     -5.551245      7.616081
  H      -0.994521     -6.751697      6.346680
  H       0.529063     -5.298321      5.010079
  H       0.547679     -4.002468      6.214907
  H       0.019248     -3.649885      4.554639
  H      -2.972936     -3.598458      6.891979
  H      -1.318609     -3.212470      7.335871
  H      -1.949100     -2.575046      5.805938
  N      -4.982943     -3.182397      5.563778
  H      -4.347407     -2.538768      6.036358
  H      -5.441492     -3.761802      6.280225
  H      -5.723561     -2.624763      5.135598
87
Coordinates from ORCA-job orca E -5422.452300118436
  N      -4.040793     -3.265709      2.476292
  C      -4.098198     -3.915518      1.150169
  C      -3.222171     -5.154815      1.161016
  N      -3.627595     -5.965767      2.330536
  C      -4.810380     -6.832857      2.034605
  C      -5.643646     -6.917585      3.308939
  N      -5.937517     -5.546111      3.751422
  Mo     -4.188631     -4.568338      3.960414
  N      -2.324573     -5.014884      4.598791
  C      -1.588571     -5.944886      3.722328
  C      -2.525669     -6.789490      2.885300
  H      -0.981328     -6.653100      4.310186
  H      -0.877221     -5.395567      3.078254
  H      -2.981787     -7.556073      3.527308
  H      -1.987357     -7.307993      2.073013
  H      -6.551948     -7.511571      3.133035
  H      -5.085214     -7.473091      4.082668
  H      -5.401871     -6.355724      1.244169
  H      -4.471044     -7.817625      1.671556
  H      -3.749152     -3.246416      0.354238
  H      -5.138372     -4.184994      0.895755
  H      -2.173642     -4.854780      1.291675
  H      -3.306884     -5.749170      0.235669
  C      -1.336207      0.250539      0.948016
  C      -1.280557     -0.603212      1.981165
  C      -0.415949     -0.332644      3.183604
  C      -2.038673     -1.912613      1.975038
  C      -3.543444     -1.853052      2.400038
  C      -4.392218     -1.047860      1.396791
  C      -3.669949     -1.135027      3.740218
  C      -7.034488     -5.653316      6.855313
  C      -8.092434     -5.333082      6.090770
  C      -9.199841     -4.451696      6.598289
  C      -8.241792     -5.862207      4.681570
  C      -7.362200     -5.142290      3.605596
  C      -7.901919     -5.517515      2.205972
  C      -7.525397     -3.622967      3.726841
  C      -3.129382     -5.898573      8.671818
  C      -2.764579     -6.291475      7.441715
  C      -3.656326     -7.153482      6.598357
  C      -1.450916     -5.876395      6.828998
  C      -1.515612     -4.683015      5.811855
  C      -0.068410     -4.330113      5.402370
  C      -2.075863     -3.468715      6.548546
  H      -0.787114      1.194277      0.958111
  H      -1.923498      0.031865      0.053581
  H      -0.986823     -0.402434      4.122685
  H       0.051038      0.659549      3.132100
  H       0.385367     -1.088016      3.251423
  H      -1.550854     -2.622744      2.662765
  H      -1.987391     -2.349406      0.966440
  H      -4.112073      0.011797      1.453172
  H      -5.456940     -1.140693      1.655828
  H      -4.258734     -1.363293      0.354308
  H      -4.724522     -1.026809      4.027124
  H      -3.113419     -1.658222      4.526387
  H      -3.253783     -0.124020      3.647449
  H      -6.266024     -6.333622      6.491270
  H      -6.926154     -5.276107      7.875980
  H     -10.132992     -5.032690      6.686007
  H      -9.414403     -3.629155      5.898209
  H      -8.965659     -4.027756      7.583940
  H      -8.002817     -6.936173      4.650462
  H      -9.293418     -5.767755      4.369046
  H      -7.868821     -6.595897      2.003849
  H      -7.332673     -4.993977      1.424121
  H      -8.952503     -5.206257      2.125383
  H      -8.535955     -3.336837      3.405549
  H      -7.424003     -3.280779      4.763460
  H      -6.799315     -3.107012      3.081373
  H      -4.085334     -6.203633      9.104872
  H      -2.478780     -5.277813      9.291546
  H      -3.955620     -6.586996      5.697349
  H      -3.114320     -8.042505      6.235485
  H      -4.545550     -7.484857      7.147917
  H      -0.760416     -5.565057      7.627369
  H      -0.981942     -6.740718      6.330098
  H       0.495457     -5.195734      5.032058
  H       0.469153     -3.934114      6.274741
  H      -0.072027     -3.553848      4.622966
  H      -3.067781     -3.684042      6.960781
  H      -1.426390     -3.229011      7.401129
  H      -2.098643     -2.590966      5.888826
  N      -4.994807     -3.158266      5.531125
  H      -4.353144     -2.518425      6.001317
  H      -5.459541     -3.731696      6.249476
  H      -5.731201     -2.596856      5.099541
87
Coordinates from ORCA-job orca E -5422.454355581452
  N      -4.042634     -3.235841      2.451444
  C      -4.103719     -3.902667      1.130697
  C      -3.223990     -5.140649      1.151892
  N      -3.629210     -5.945143      2.329212
  C      -4.804886     -6.823284      2.033037
  C      -5.640495     -6.906011      3.305089
  N      -5.945282     -5.531464      3.738805
  Mo     -4.204847     -4.531349      3.943350
  N      -2.363591     -4.990168      4.623569
  C      -1.603055     -5.897673      3.740310
  C      -2.520472     -6.756468      2.894125
  H      -0.981740     -6.596817      4.324070
  H      -0.901675     -5.327683      3.103778
  H      -2.972098     -7.529167      3.531534
  H      -1.967152     -7.267184      2.087496
  H      -6.543254     -7.507727      3.128970
  H      -5.080827     -7.453641      4.083090
  H      -5.397595     -6.353439      1.238948
  H      -4.457890     -7.807335      1.676117
  H      -3.761154     -3.241766      0.324956
  H      -5.144666     -4.177824      0.887593
  H      -2.176089     -4.838725      1.282192
  H      -3.306968     -5.741505      0.230941
  C      -1.285477      0.229249      0.901395
  C      -1.239685     -0.624402      1.934770
  C      -0.362507     -0.368758      3.131425
  C      -2.022122     -1.919787      1.933620
  C      -3.522496     -1.833874      2.368859
  C      -4.362795     -1.014092      1.372434
  C      -3.625999     -1.121174      3.713911
  C      -6.979989     -5.648524      6.858201
  C      -8.055052     -5.341922      6.112544
  C      -9.162286     -4.473058      6.641711
  C      -8.227396     -5.871924      4.706497
  C      -7.374842     -5.145352      3.612681
  C      -7.932815     -5.530977      2.223070
  C      -7.551514     -3.626971      3.731976
  C      -3.132994     -6.005668      8.689100
  C      -2.764039     -6.354002      7.447209
  C      -3.633417     -7.221711      6.584335
  C      -1.469085     -5.879535      6.838426
  C      -1.574582     -4.663292      5.850704
  C      -0.140828     -4.251718      5.452424
  C      -2.180095     -3.491144      6.619778
  H      -0.718821      1.162488      0.907188
  H      -1.882037      0.021649      0.010602
  H      -0.927855     -0.425722      4.074473
  H       0.123167      0.614023      3.074318
  H       0.424837     -1.139004      3.194666
  H      -1.541618     -2.638774      2.617270
  H      -1.987423     -2.357003      0.924576
  H      -4.059691      0.039534      1.424970
  H      -5.426705     -1.084417      1.641227
  H      -4.245614     -1.333663      0.329389
  H      -4.676362     -1.003268      4.012219
  H      -3.069396     -1.660334      4.490535
  H      -3.196422     -0.115597      3.626132
  H      -6.208140     -6.319949      6.484062
  H      -6.861017     -5.269467      7.876757
  H     -10.088226     -5.063197      6.742399
  H      -9.396171     -3.650114      5.948434
  H      -8.915875     -4.050543      7.624896
  H      -7.976325     -6.942881      4.670924
  H      -9.285963     -5.788328      4.415311
  H      -7.894960     -6.609587      2.024094
  H      -7.378085     -5.006902      1.431208
  H      -8.986585     -5.227262      2.157689
  H      -8.569433     -3.351255      3.425648
  H      -7.435372     -3.281634      4.765749
  H      -6.840354     -3.105128      3.074556
  H      -4.075326     -6.350831      9.120686
  H      -2.498470     -5.379830      9.320364
  H      -3.940720     -6.641307      5.696206
  H      -3.068881     -8.090853      6.207921
  H      -4.516571     -7.584880      7.123961
  H      -0.783475     -5.566032      7.639944
  H      -0.976739     -6.716459      6.315954
  H       0.447921     -5.088666      5.055743
  H       0.385880     -3.863808      6.334915
  H      -0.173118     -3.455197      4.694381
  H      -3.161146     -3.754017      7.031504
  H      -1.534348     -3.244869      7.473079
  H      -2.242296     -2.599316      5.980855
  N      -5.028019     -3.122584      5.488735
  H      -4.384826     -2.483789      5.958096
  H      -5.500975     -3.687046      6.209175
  H      -5.759227     -2.559487      5.049740
87
Coordinates from ORCA-job orca E -5422.456207587483
  N      -4.042181     -3.211518      2.426091
  C      -4.111981     -3.891968      1.112300
  C      -3.230131     -5.128602      1.140503
  N      -3.631469     -5.927293      2.325131
  C      -4.801128     -6.814431      2.033131
  C      -5.635165     -6.894170      3.305103
  N      -5.947864     -5.516976      3.729260
  Mo     -4.218695     -4.496590      3.927182
  N      -2.400462     -4.974292      4.642752
  C      -1.617156     -5.857530      3.751413
  C      -2.516299     -6.727046      2.896836
  H      -0.981063     -6.546828      4.330290
  H      -0.927943     -5.265413      3.122193
  H      -2.964309     -7.505839      3.529006
  H      -1.951381     -7.228775      2.092883
  H      -6.534717     -7.500870      3.131898
  H      -5.074406     -7.433104      4.088011
  H      -5.395353     -6.350655      1.236448
  H      -4.447523     -7.797776      1.681250
  H      -3.777447     -3.237339      0.297600
  H      -5.155048     -4.169817      0.883633
  H      -2.182084     -4.826648      1.267573
  H      -3.314903     -5.735484      0.223671
  C      -1.244520      0.217780      0.866469
  C      -1.205441     -0.639034      1.897227
  C      -0.320929     -0.397997      3.091026
  C      -2.004747     -1.924281      1.895345
  C      -3.502010     -1.820187      2.339064
  C      -4.335924     -0.989024      1.348705
  C      -3.584407     -1.115613      3.688590
  C      -6.912373     -5.611534      6.856921
  C      -8.010491     -5.330323      6.134253
  C      -9.119095     -4.474677      6.681574
  C      -8.205982     -5.875824      4.737547
  C      -7.382836     -5.149977      3.620402
  C      -7.956757     -5.556992      2.244414
  C      -7.576218     -3.633106      3.726513
  C      -3.140450     -6.116286      8.698161
  C      -2.763624     -6.420074      7.447116
  C      -3.605924     -7.295780      6.565613
  C      -1.489093     -5.885455      6.846498
  C      -1.633781     -4.651298      5.886318
  C      -0.213772     -4.178155      5.509109
  C      -2.290019     -3.523041      6.678117
  H      -0.666091      1.143698      0.872970
  H      -1.847143      0.020212     -0.022362
  H      -0.881863     -0.451569      4.036999
  H       0.176648      0.578833      3.034981
  H       0.457605     -1.177510      3.148457
  H      -1.529428     -2.650709      2.574185
  H      -1.980821     -2.358499      0.884935
  H      -4.014508      0.059569      1.394079
  H      -5.398675     -1.039371      1.626054
  H      -4.232865     -1.315760      0.306173
  H      -4.629788     -0.987664      3.998905
  H      -3.027063     -1.668719      4.455493
  H      -3.142289     -0.114948      3.605540
  H      -6.136475     -6.271715      6.471500
  H      -6.776802     -5.222145      7.869675
  H     -10.034301     -5.077126      6.804594
  H      -9.380203     -3.659276      5.989033
  H      -8.859174     -4.042553      7.657002
  H      -7.939980     -6.943270      4.707377
  H      -9.271302     -5.809722      4.467562
  H      -7.912511     -6.637287      2.056965
  H      -7.417124     -5.038332      1.438639
  H      -9.013844     -5.262730      2.190868
  H      -8.601233     -3.372182      3.431212
  H      -7.449005     -3.277184      4.754846
  H      -6.881229     -3.107100      3.054972
  H      -4.069820     -6.503331      9.122664
  H      -2.526461     -5.483466      9.342616
  H      -3.923139     -6.704665      5.690141
  H      -3.018305     -8.143412      6.175712
  H      -4.482902     -7.690163      7.093090
  H      -0.812536     -5.565542      7.653011
  H      -0.969772     -6.694523      6.306724
  H       0.404658     -4.983779      5.093633
  H       0.296073     -3.795275      6.403569
  H      -0.271628     -3.364902      4.770439
  H      -3.266423     -3.827479      7.074715
  H      -1.659615     -3.273270      7.541841
  H      -2.379517     -2.617722      6.062422
  N      -5.054824     -3.086330      5.453528
  H      -4.407950     -2.452124      5.924615
  H      -5.537313     -3.641926      6.174763
  H      -5.778051     -2.516659      5.009559
87
Coordinates from ORCA-job orca E -5422.457764071331
  N      -4.041157     -3.185915      2.399972
  C      -4.116437     -3.878702      1.094468
  C      -3.233397     -5.113803      1.132684
  N      -3.631742     -5.905430      2.323612
  C      -4.794875     -6.800385      2.036254
  C      -5.628471     -6.876682      3.306354
  N      -5.950026     -5.498167      3.720090
  Mo     -4.235341     -4.455973      3.911800
  N      -2.439328     -4.953908      4.661708
  C      -1.632223     -5.810100      3.764197
  C      -2.511129     -6.691516      2.902552
  H      -0.979403     -6.486375      4.339293
  H      -0.958230     -5.193879      3.141549
  H      -2.954982     -7.476486      3.529572
  H      -1.934552     -7.183376      2.100936
  H      -6.525027     -7.488152      3.136248
  H      -5.067574     -7.405537      4.095472
  H      -5.389704     -6.343204      1.236182
  H      -4.433962     -7.783046      1.690133
  H      -3.786568     -3.230484      0.272178
  H      -5.161042     -4.158156      0.876357
  H      -2.185437     -4.811618      1.257792
  H      -3.318115     -5.727697      0.220350
  C      -1.200862      0.199031      0.824594
  C      -1.165826     -0.660412      1.853065
  C      -0.267346     -0.435671      3.038845
  C      -1.984895     -1.933583      1.854148
  C      -3.476873     -1.807520      2.312824
  C      -4.303544     -0.958353      1.333315
  C      -3.530023     -1.115430      3.669499
  C      -6.864948     -5.608402      6.862541
  C      -7.977144     -5.341847      6.157452
  C      -9.088059     -4.503561      6.724877
  C      -8.189500     -5.886764      4.763471
  C      -7.392974     -5.152831      3.631237
  C      -7.977655     -5.575690      2.265821
  C      -7.608982     -3.639335      3.734346
  C      -3.147685     -6.204636      8.704116
  C      -2.766575     -6.470593      7.445774
  C      -3.581070     -7.355391      6.547532
  C      -1.512688     -5.883647      6.853849
  C      -1.691363     -4.635868      5.919281
  C      -0.284299     -4.114038      5.559731
  C      -2.387032     -3.545272      6.727164
  H      -0.608449      1.115869      0.828877
  H      -1.813727      0.011981     -0.059141
  H      -0.818679     -0.483528      3.990596
  H       0.244578      0.533518      2.980916
  H       0.500238     -1.226401      3.087377
  H      -1.514184     -2.669660      2.525801
  H      -1.976419     -2.363631      0.841801
  H      -3.960583      0.083592      1.372014
  H      -5.364048     -0.985187      1.621684
  H      -4.218540     -1.290975      0.290905
  H      -4.567708     -0.970360      3.995969
  H      -2.972743     -1.687011      4.424005
  H      -3.069876     -0.122358      3.591746
  H      -6.084419     -6.256195      6.466354
  H      -6.723151     -5.219852      7.874361
  H      -9.994461     -5.117230      6.856410
  H      -9.369776     -3.687395      6.041319
  H      -8.820978     -4.073627      7.699186
  H      -7.911312     -6.950836      4.727846
  H      -9.259956     -5.833515      4.512183
  H      -7.923586     -6.656349      2.083999
  H      -7.453278     -5.056835      1.450314
  H      -9.038448     -5.293671      2.222878
  H      -8.640416     -3.394824      3.447686
  H      -7.476903     -3.278914      4.759671
  H      -6.930140     -3.101931      3.055299
  H      -4.062587     -6.628597      9.123116
  H      -2.551971     -5.564441      9.358067
  H      -3.909779     -6.758016      5.680828
  H      -2.970988     -8.181138      6.145710
  H      -4.452008     -7.778849      7.062015
  H      -0.844905     -5.557975      7.665244
  H      -0.969381     -6.666799      6.299910
  H       0.355960     -4.893758      5.128297
  H       0.214025     -3.737849      6.463277
  H      -0.362327     -3.287492      4.837977
  H      -3.363025     -3.877304      7.103590
  H      -1.773581     -3.298963      7.604115
  H      -2.489332     -2.627129      6.133357
  N      -5.096743     -3.043312      5.415909
  H      -4.450739     -2.412718      5.893069
  H      -5.591395     -3.591827      6.134703
  H      -5.810284     -2.467577      4.964359
87
Coordinates from ORCA-job orca E -5422.458945904646
  N      -4.040645     -3.170070      2.379740
  C      -4.121552     -3.868657      1.080123
  C      -3.238396     -5.103287      1.122780
  N      -3.631672     -5.890410      2.318168
  C      -4.788423     -6.793259      2.038424
  C      -5.618886     -6.866895      3.309430
  N      -5.948826     -5.487929      3.710963
  Mo     -4.250788     -4.427523      3.897459
  N      -2.475820     -4.948235      4.674537
  C      -1.646088     -5.772436      3.768556
  C      -2.505480     -6.663984      2.900547
  H      -0.973324     -6.434851      4.336312
  H      -0.992382     -5.129808      3.150669
  H      -2.942957     -7.456445      3.522409
  H      -1.918398     -7.144294      2.099475
  H      -6.512856     -7.483001      3.144846
  H      -5.055477     -7.385208      4.103479
  H      -5.386865     -6.343846      1.236567
  H      -4.421123     -7.775257      1.696876
  H      -3.798573     -3.223530      0.252382
  H      -5.167354     -4.150696      0.871426
  H      -2.190177     -4.800781      1.243805
  H      -3.324706     -5.721796      0.213466
  C      -1.166332      0.185862      0.802545
  C      -1.136860     -0.674221      1.830705
  C      -0.230427     -0.459973      3.011961
  C      -1.968897     -1.939277      1.832344
  C      -3.458835     -1.800062      2.297412
  C      -4.278579     -0.938101      1.323833
  C      -3.498531     -1.115602      3.658901
  C      -6.793098     -5.564146      6.856469
  C      -7.927916     -5.320585      6.177340
  C      -9.036487     -4.492108      6.762762
  C      -8.164356     -5.886045      4.795220
  C      -7.397515     -5.160285      3.638396
  C      -7.997480     -5.609188      2.288319
  C      -7.631109     -3.648692      3.720455
  C      -3.161503     -6.289559      8.702028
  C      -2.772897     -6.520901      7.439186
  C      -3.556358     -7.419276      6.527537
  C      -1.537253     -5.885593      6.857940
  C      -1.746962     -4.629726      5.943004
  C      -0.352887     -4.061904      5.602468
  C      -2.481604     -3.570526      6.755331
  H      -0.564126      1.096181      0.805811
  H      -1.783948      0.004753     -0.078940
  H      -0.776347     -0.501815      3.966988
  H       0.292270      0.503310      2.952242
  H       0.528658     -1.259039      3.056750
  H      -1.502706     -2.681815      2.500126
  H      -1.967437     -2.365781      0.818561
  H      -3.920849      0.098973      1.355539
  H      -5.337481     -0.948187      1.619025
  H      -4.205252     -1.277653      0.282623
  H      -4.532223     -0.955010      3.989256
  H      -2.948292     -1.698432      4.410762
  H      -3.024514     -0.128636      3.585664
  H      -6.014064     -6.205357      6.446757
  H      -6.629417     -5.163924      7.860619
  H      -9.932321     -5.115548      6.918427
  H      -9.344707     -3.684588      6.080173
  H      -8.754361     -4.051166      7.727807
  H      -7.876268     -6.947812      4.769003
  H      -9.239883     -5.847269      4.564103
  H      -7.939899     -6.692053      2.122368
  H      -7.487332     -5.100673      1.457501
  H      -9.060440     -5.334189      2.254497
  H      -8.667956     -3.421592      3.439296
  H      -7.494497     -3.269918      4.738005
  H      -6.966679     -3.112097      3.026504
  H      -4.061926     -6.751908      9.112425
  H      -2.587541     -5.640547      9.366392
  H      -3.898725     -6.823780      5.666780
  H      -2.922666     -8.224705      6.121250
  H      -4.420474     -7.869628      7.030981
  H      -0.880847     -5.551036      7.675120
  H      -0.968169     -6.644099      6.295854
  H       0.310338     -4.816773      5.161511
  H       0.131250     -3.688750      6.514875
  H      -0.448495     -3.225761      4.894441
  H      -3.460679     -3.923324      7.103918
  H      -1.891814     -3.327775      7.649598
  H      -2.584731     -2.642565      6.176622
  N      -5.138995     -3.016215      5.389580
  H      -4.496325     -2.392308      5.879894
  H      -5.646238     -3.565270      6.099535
  H      -5.841325     -2.431586      4.932001
87
Coordinates from ORCA-job orca E -5422.459814614007
  N      -4.030298     -3.155031      2.360746
  C      -4.116137     -3.863217      1.068758
  C      -3.236869     -5.100148      1.120368
  N      -3.630744     -5.876225      2.322412
  C      -4.787249     -6.778644      2.049499
  C      -5.617844     -6.843605      3.319083
  N      -5.948591     -5.462117      3.708461
  Mo     -4.256873     -4.393302      3.889229
  N      -2.501999     -4.941211      4.691938
  C      -1.657683     -5.743161      3.780787
  C      -2.504291     -6.642755      2.911000
  H      -0.969926     -6.393992      4.343653
  H      -1.020543     -5.083462      3.163530
  H      -2.938997     -7.437555      3.531765
  H      -1.910002     -7.118779      2.112601
  H      -6.512242     -7.459621      3.157602
  H      -5.056528     -7.355948      4.118232
  H      -5.386524     -6.334106      1.245254
  H      -4.420311     -7.762882      1.713637
  H      -3.797878     -3.225279      0.233484
  H      -5.163095     -4.147552      0.867661
  H      -2.187089     -4.800894      1.236133
  H      -3.326814     -5.725762      0.216175
  C      -1.134271      0.171270      0.758570
  C      -1.108546     -0.681356      1.793433
  C      -0.197115     -0.464866      2.970424
  C      -1.948814     -1.940905      1.805138
  C      -3.436196     -1.790244      2.274757
  C      -4.252858     -0.924649      1.301612
  C      -3.467571     -1.101490      3.635390
  C      -6.795458     -5.611081      6.873103
  C      -7.922510     -5.349573      6.192161
  C      -9.027342     -4.525695      6.790211
  C      -8.165771     -5.890947      4.802381
  C      -7.406007     -5.150708      3.651092
  C      -8.000834     -5.603111      2.299724
  C      -7.663263     -3.643163      3.739905
  C      -3.149426     -6.347299      8.708502
  C      -2.765945     -6.557879      7.440278
  C      -3.530653     -7.465090      6.520408
  C      -1.546261     -5.889894      6.861438
  C      -1.780078     -4.625842      5.965290
  C      -0.396037     -4.025790      5.636347
  C      -2.536900     -3.590945      6.787508
  H      -0.525746      1.077456      0.754143
  H      -1.755037     -0.012859     -0.120224
  H      -0.740100     -0.495178      3.927771
  H       0.332567      0.494113      2.902084
  H       0.556245     -1.269237      3.019069
  H      -1.485187     -2.682824      2.475360
  H      -1.952875     -2.372181      0.793291
  H      -3.883765      0.108739      1.320302
  H      -5.309592     -0.920807      1.605115
  H      -4.191390     -1.276074      0.263378
  H      -4.499246     -0.927750      3.965696
  H      -2.923726     -1.685011      4.391627
  H      -2.984742     -0.119033      3.557864
  H      -6.017739     -6.253250      6.462028
  H      -6.641324     -5.225997      7.883992
  H      -9.928667     -5.145515      6.928066
  H      -9.327270     -3.701049      6.124192
  H      -8.746682     -4.107694      7.765951
  H      -7.883444     -6.953736      4.756971
  H      -9.242631     -5.844368      4.578431
  H      -7.934644     -6.685172      2.131017
  H      -7.494360     -5.088332      1.470309
  H      -9.066113     -5.337112      2.265048
  H      -8.701503     -3.431433      3.452023
  H      -7.541575     -3.265977      4.759361
  H      -7.003163     -3.092155      3.052868
  H      -4.035607     -6.832857      9.121465
  H      -2.584288     -5.691624      9.373965
  H      -3.886603     -6.873784      5.660672
  H      -2.879416     -8.253855      6.109198
  H      -4.386439     -7.937182      7.019107
  H      -0.893510     -5.553717      7.681168
  H      -0.963284     -6.628791      6.287524
  H       0.281036     -4.760752      5.182639
  H       0.081484     -3.660826      6.555719
  H      -0.505140     -3.178827      4.943639
  H      -3.520756     -3.954672      7.110239
  H      -1.964878     -3.362282      7.697179
  H      -2.632031     -2.651491      6.225931
  N      -5.161511     -2.973400      5.368407
  H      -4.518507     -2.360654      5.872801
  H      -5.685618     -3.520844      6.068287
  H      -5.846925     -2.374977      4.903485
87
Coordinates from ORCA-job orca E -5422.460581937718
  N      -4.022419     -3.145893      2.349473
  C      -4.110112     -3.859002      1.060437
  C      -3.233975     -5.099135      1.116835
  N      -3.626986     -5.869554      2.323352
  C      -4.780434     -6.776756      2.055785
  C      -5.612666     -6.835414      3.324756
  N      -5.948099     -5.452202      3.701509
  Mo     -4.264933     -4.374295      3.880596
  N      -2.530316     -4.945123      4.708692
  C      -1.667059     -5.718514      3.791320
  C      -2.497220     -6.628065      2.916018
  H      -0.962391     -6.356215      4.348011
  H      -1.048743     -5.039006      3.176409
  H      -2.925947     -7.428512      3.533473
  H      -1.892864     -7.096126      2.120476
  H      -6.505351     -7.454251      3.165469
  H      -5.050830     -7.341189      4.127549
  H      -5.382197     -6.340386      1.248799
  H      -4.411616     -7.762531      1.726243
  H      -3.795293     -3.225450      0.220614
  H      -5.157308     -4.146116      0.863043
  H      -2.183296     -4.801124      1.228151
  H      -3.326383     -5.728644      0.215656
  C      -1.126186      0.166432      0.721958
  C      -1.096773     -0.682425      1.759938
  C      -0.175846     -0.465271      2.929536
  C      -1.941035     -1.938763      1.781406
  C      -3.422867     -1.783047      2.263479
  C      -4.243839     -0.910031      1.299713
  C      -3.442946     -1.097469      3.626643
  C      -6.739596     -5.579652      6.858703
  C      -7.883917     -5.325755      6.200806
  C      -8.980742     -4.504248      6.817709
  C      -8.149503     -5.877680      4.818950
  C      -7.406528     -5.147853      3.652503
  C      -8.012366     -5.616980      2.310593
  C      -7.668132     -3.639475      3.722635
  C      -3.153802     -6.419719      8.707759
  C      -2.766005     -6.604452      7.437145
  C      -3.505636     -7.521778      6.508780
  C      -1.560970     -5.901549      6.867607
  C      -1.824930     -4.630999      5.990933
  C      -0.456059     -3.986140      5.682551
  C      -2.617068     -3.633794      6.827010
  H      -0.514318      1.070267      0.709896
  H      -1.753776     -0.018658     -0.151835
  H      -0.712406     -0.488553      3.890743
  H       0.357546      0.491009      2.853066
  H       0.573930     -1.273078      2.975769
  H      -1.474297     -2.681177      2.448729
  H      -1.955603     -2.371264      0.770056
  H      -3.865196      0.119921      1.310936
  H      -5.296286     -0.897183      1.617486
  H      -4.199455     -1.264943      0.261819
  H      -4.472538     -0.917690      3.961032
  H      -2.900985     -1.684577      4.381213
  H      -2.955337     -0.117501      3.548251
  H      -5.968339     -6.220277      6.432551
  H      -6.561705     -5.188996      7.863969
  H      -9.876898     -5.127348      6.973035
  H      -9.296255     -3.681532      6.156526
  H      -8.683447     -4.083802      7.787468
  H      -7.869543     -6.941437      4.779291
  H      -9.229180     -5.831184      4.608879
  H      -7.950339     -6.701226      2.154744
  H      -7.510381     -5.113280      1.471661
  H      -9.077312     -5.349055      2.279420
  H      -8.707648     -3.435665      3.434102
  H      -7.545167     -3.245133      4.735581
  H      -7.011514     -3.097375      3.025200
  H      -4.027747     -6.933438      9.114112
  H      -2.605336     -5.758424      9.381481
  H      -3.874075     -6.937063      5.651886
  H      -2.834866     -8.294895      6.099263
  H      -4.352911     -8.015643      7.001814
  H      -0.917137     -5.561704      7.692952
  H      -0.959093     -6.617603      6.284483
  H       0.242826     -4.691763      5.215036
  H       0.007342     -3.630439      6.612799
  H      -0.584478     -3.126027      5.009742
  H      -3.604899     -4.019630      7.107883
  H      -2.073593     -3.427853      7.759391
  H      -2.705899     -2.678155      6.292777
  N      -5.194094     -2.957430      5.351756
  H      -4.554899     -2.357077      5.875960
  H      -5.733382     -3.510385      6.035473
  H      -5.864214     -2.346060      4.881415
87
Coordinates from ORCA-job orca E -5422.461132443757
  N      -4.012756     -3.137167      2.339200
  C      -4.102132     -3.855274      1.052028
  C      -3.230397     -5.099524      1.114133
  N      -3.624514     -5.863882      2.325572
  C      -4.776861     -6.773558      2.061407
  C      -5.612453     -6.824914      3.328821
  N      -5.950854     -5.439142      3.695469
  Mo     -4.270799     -4.355526      3.873446
  N      -2.554849     -4.948404      4.723497
  C      -1.675489     -5.699023      3.802228
  C      -2.492184     -6.617466      2.922637
  H      -0.957592     -6.324636      4.355291
  H      -1.072471     -5.005042      3.188323
  H      -2.917073     -7.421430      3.537958
  H      -1.879790     -7.080410      2.130437
  H      -6.503736     -7.445620      3.169345
  H      -5.051732     -7.326789      4.134817
  H      -5.379057     -6.343623      1.251105
  H      -4.407953     -7.761449      1.738440
  H      -3.787115     -3.226509      0.208512
  H      -5.149807     -4.142161      0.855838
  H      -2.178386     -4.804514      1.221936
  H      -3.325969     -5.732594      0.215977
  C      -1.114779      0.163998      0.691001
  C      -1.082659     -0.684585      1.729206
  C      -0.151581     -0.472517      2.892028
  C      -1.932258     -1.936947      1.756784
  C      -3.408577     -1.776627      2.252118
  C      -4.235211     -0.897903      1.298291
  C      -3.415790     -1.098524      3.619809
  C      -6.697607     -5.557642      6.846531
  C      -7.855276     -5.310050      6.207605
  C      -8.946242     -4.493850      6.842296
  C      -8.139234     -5.866187      4.830684
  C      -7.410278     -5.141642      3.653815
  C      -8.023292     -5.625141      2.319489
  C      -7.681157     -3.633498      3.710447
  C      -3.145934     -6.479578      8.709103
  C      -2.756161     -6.643947      7.436430
  C      -3.475430     -7.571850      6.502683
  C      -1.567734     -5.907670      6.872593
  C      -1.864981     -4.632489      6.012169
  C      -0.516392     -3.940374      5.720536
  C      -2.694513     -3.673841      6.858780
  H      -0.498172      1.064658      0.673855
  H      -1.749631     -0.017875     -0.178421
  H      -0.681827     -0.490267      3.856860
  H       0.387900      0.479936      2.809970
  H       0.592401     -1.285952      2.933504
  H      -1.461869     -2.681867      2.418595
  H      -1.957761     -2.368042      0.745129
  H      -3.846711      0.128487      1.301866
  H      -5.282764     -0.876366      1.631500
  H      -4.209191     -1.256046      0.260539
  H      -4.442952     -0.912884      3.959092
  H      -2.876175     -1.693475      4.371254
  H      -2.921732     -0.121604      3.543488
  H      -5.929357     -6.192993      6.406682
  H      -6.503541     -5.166632      7.848875
  H      -9.837175     -5.121375      7.009592
  H      -9.274846     -3.670813      6.187689
  H      -8.635771     -4.074325      7.808408
  H      -7.862140     -6.930774      4.792093
  H      -9.221345     -5.818176      4.632946
  H      -7.961533     -6.710930      2.174118
  H      -7.525739     -5.128868      1.473469
  H      -9.088664     -5.358252      2.291270
  H      -8.720764     -3.439394      3.415567
  H      -7.565192     -3.226514      4.719254
  H      -7.024912     -3.094981      3.009739
  H      -4.008409     -7.015461      9.111592
  H      -2.611548     -5.812092      9.388205
  H      -3.857451     -6.995078      5.646705
  H      -2.787479     -8.330323      6.093944
  H      -4.312456     -8.085954      6.993161
  H      -0.931077     -5.563422      7.701612
  H      -0.949624     -6.602402      6.280773
  H       0.204874     -4.613477      5.238504
  H      -0.065885     -3.590623      6.659581
  H      -0.671212     -3.069967      5.066435
  H      -3.685826     -4.082924      7.091647
  H      -2.183354     -3.494574      7.814435
  H      -2.778161     -2.701225      6.354273
  N      -5.216761     -2.939528      5.338161
  H      -4.579228     -2.355129      5.882281
  H      -5.771607     -3.497554      6.005059
  H      -5.870363     -2.312892      4.864721
87
Coordinates from ORCA-job orca E -5422.461473288912
  N      -4.008021     -3.131287      2.326664
  C      -4.098627     -3.854180      1.040885
  C      -3.233656     -5.103660      1.110439
  N      -3.629579     -5.862037      2.326276
  C      -4.781097     -6.773985      2.066553
  C      -5.620139     -6.817205      3.331912
  N      -5.961832     -5.428915      3.687403
  Mo     -4.283854     -4.340061      3.862558
  N      -2.577908     -4.946081      4.727519
  C      -1.687626     -5.680555      3.803963
  C      -2.494503     -6.610036      2.926456
  H      -0.957012     -6.292521      4.355138
  H      -1.099646     -4.977135      3.186262
  H      -2.915920     -7.414816      3.542847
  H      -1.877643     -7.070775      2.136710
  H      -6.509677     -7.440343      3.172788
  H      -5.060921     -7.313663      4.142419
  H      -5.382565     -6.350411      1.252286
  H      -4.411457     -7.763974      1.751297
  H      -3.778105     -3.230892      0.195216
  H      -5.147416     -4.135509      0.843094
  H      -2.180387     -4.812809      1.216915
  H      -3.331932     -5.740434      0.215339
  C      -1.086499      0.158151      0.690865
  C      -1.062839     -0.695827      1.724649
  C      -0.132626     -0.497193      2.890604
  C      -1.921221     -1.942237      1.744348
  C      -3.395279     -1.775298      2.243544
  C      -4.218572     -0.886527      1.297107
  C      -3.392857     -1.109857      3.617320
  C      -6.684026     -5.562123      6.840197
  C      -7.845836     -5.309771      6.211287
  C      -8.929939     -4.495272      6.859891
  C      -8.144485     -5.859452      4.834886
  C      -7.422392     -5.137396      3.652608
  C      -8.039378     -5.630169      2.323309
  C      -7.699633     -3.629627      3.702190
  C      -3.111495     -6.503803      8.714054
  C      -2.728371     -6.656671      7.437952
  C      -3.432682     -7.598737      6.508588
  C      -1.560279     -5.894770      6.868700
  C      -1.891746     -4.622012      6.016626
  C      -0.562994     -3.895006      5.723734
  C      -2.742356     -3.690218      6.872673
  H      -0.463142      1.054197      0.679283
  H      -1.721107     -0.014157     -0.180626
  H      -0.665983     -0.511559      3.853702
  H       0.417386      0.449494      2.812491
  H       0.601785     -1.319171      2.931760
  H      -1.453749     -2.694209      2.400221
  H      -1.950560     -2.366390      0.730081
  H      -3.816721      0.134809      1.297215
  H      -5.262910     -0.852803      1.638915
  H      -4.205521     -1.245982      0.259460
  H      -4.417413     -0.913514      3.957896
  H      -2.862537     -1.719173      4.364878
  H      -2.885841     -0.138890      3.549451
  H      -5.918548     -6.195299      6.392045
  H      -6.483359     -5.176347      7.842997
  H      -9.821445     -5.121539      7.028445
  H      -9.260390     -3.666036      6.214033
  H      -8.611218     -4.084318      7.826937
  H      -7.876341     -6.926059      4.791365
  H      -9.228037     -5.802946      4.647171
  H      -7.977371     -6.716791      2.185011
  H      -7.544491     -5.138954      1.472914
  H      -9.104977     -5.364151      2.296804
  H      -8.737843     -3.441478      3.398865
  H      -7.592552     -3.215032      4.708967
  H      -7.041192     -3.091907      3.002998
  H      -3.959660     -7.057443      9.122151
  H      -2.584981     -5.827856      9.390875
  H      -3.831790     -7.034135      5.652189
  H      -2.731375     -8.344103      6.098262
  H      -4.256372     -8.129677      7.003504
  H      -0.925023     -5.542389      7.695169
  H      -0.932583     -6.574337      6.269715
  H       0.170738     -4.543989      5.227380
  H      -0.113740     -3.544605      6.663315
  H      -0.745664     -3.021267      5.080866
  H      -3.738197     -4.108730      7.066619
  H      -2.254896     -3.540475      7.845260
  H      -2.815528     -2.702690      6.396103
  N      -5.247830     -2.926744      5.321843
  H      -4.614426     -2.356380      5.885220
  H      -5.815382     -3.491464      5.972159
  H      -5.888271     -2.287890      4.846860
87
Coordinates from ORCA-job orca E -5422.461664169923
  N      -4.003386     -3.136937      2.323434
  C      -4.095127     -3.861039      1.039671
  C      -3.234755     -5.113268      1.112712
  N      -3.632325     -5.865812      2.332044
  C      -4.783993     -6.776778      2.075290
  C      -5.624767     -6.810825      3.339816
  N      -5.965756     -5.420079      3.683626
  Mo     -4.284722     -4.335066      3.862754
  N      -2.585433     -4.951837      4.735002
  C      -1.693031     -5.682136      3.810821
  C      -2.499025     -6.613752      2.935790
  H      -0.958170     -6.289816      4.360836
  H      -1.109913     -4.978061      3.189205
  H      -2.922765     -7.415258      3.554859
  H      -1.882306     -7.077853      2.147994
  H      -6.513879     -7.434821      3.182009
  H      -5.067178     -7.302100      4.155212
  H      -5.383221     -6.356952      1.257372
  H      -4.416019     -7.769561      1.767034
  H      -3.771108     -3.240109      0.193591
  H      -5.144597     -4.138643      0.840833
  H      -2.179920     -4.827210      1.216299
  H      -3.337939     -5.752090      0.219703
  C      -1.095674      0.167063      0.693476
  C      -1.066437     -0.690219      1.724153
  C      -0.132309     -0.493563      2.887666
  C      -1.920572     -1.939788      1.741509
  C      -3.395379     -1.779205      2.241295
  C      -4.220796     -0.892422      1.295766
  C      -3.398586     -1.119692      3.617990
  C      -6.692485     -5.566159      6.832534
  C      -7.850292     -5.297941      6.203252
  C      -8.925908     -4.474034      6.854608
  C      -8.155667     -5.839429      4.825087
  C      -7.424909     -5.125605      3.643008
  C      -8.038801     -5.624240      2.314079
  C      -7.697705     -3.616256      3.681299
  C      -3.071675     -6.526331      8.722279
  C      -2.700132     -6.671491      7.441760
  C      -3.402308     -7.625327      6.519032
  C      -1.544741     -5.892259      6.865655
  C      -1.897533     -4.619564      6.019495
  C      -0.580370     -3.874680      5.720658
  C      -2.756400     -3.701820      6.883226
  H      -0.474696      1.064748      0.682344
  H      -1.732891     -0.003719     -0.176398
  H      -0.662877     -0.507749      3.852116
  H       0.418593      0.452469      2.808332
  H       0.600706     -1.316786      2.926194
  H      -1.448735     -2.691581      2.394458
  H      -1.949105     -2.361451      0.726124
  H      -3.815845      0.127781      1.290573
  H      -5.263549     -0.855355      1.641786
  H      -4.212568     -1.255990      0.259565
  H      -4.424720     -0.922281      3.953066
  H      -2.876606     -1.736376      4.365367
  H      -2.888067     -0.150103      3.558620
  H      -5.933076     -6.206400      6.383421
  H      -6.489951     -5.186460      7.837115
  H      -9.825503     -5.090150      7.017139
  H      -9.243776     -3.636813      6.212778
  H      -8.604100     -4.073093      7.824776
  H      -7.903981     -6.909935      4.779150
  H      -9.238398     -5.766635      4.638198
  H      -7.980786     -6.711971      2.183768
  H      -7.537834     -5.140895      1.462840
  H      -9.103072     -5.353849      2.281238
  H      -8.730582     -3.426661      3.361186
  H      -7.605112     -3.193837      4.686375
  H      -7.027231     -3.084915      2.988805
  H      -3.906798     -7.092549      9.139478
  H      -2.545887     -5.846032      9.395288
  H      -3.814338     -7.073300      5.661071
  H      -2.694863     -8.364879      6.108416
  H      -4.215453     -8.164248      7.022728
  H      -0.907246     -5.535411      7.688341
  H      -0.914087     -6.563673      6.260758
  H       0.158034     -4.511788      5.216014
  H      -0.128690     -3.521877      6.658260
  H      -0.779278     -3.001026      5.082454
  H      -3.754866     -4.123561      7.054220
  H      -2.282104     -3.575589      7.865270
  H      -2.821276     -2.703846      6.426961
  N      -5.252090     -2.925522      5.328891
  H      -4.620762     -2.380835      5.919387
  H      -5.842111     -3.496938      5.952833
  H      -5.870498     -2.265426      4.853797
87
Coordinates from ORCA-job orca E -5422.461753732826
  N      -4.001444     -3.144852      2.321630
  C      -4.093316     -3.867994      1.037038
  C      -3.240980     -5.125276      1.112828
  N      -3.641724     -5.875786      2.332655
  C      -4.795249     -6.785236      2.078494
  C      -5.637392     -6.811676      3.342664
  N      -5.975746     -5.419198      3.678838
  Mo     -4.290749     -4.340602      3.858888
  N      -2.588972     -4.958156      4.730954
  C      -1.699790     -5.688894      3.804409
  C      -2.508798     -6.623952      2.935953
  H      -0.960571     -6.293206      4.351946
  H      -1.121120     -4.986283      3.176762
  H      -2.932757     -7.422382      3.558832
  H      -1.895223     -7.091571      2.147780
  H      -6.527712     -7.435024      3.187123
  H      -5.081179     -7.299260      4.161315
  H      -5.392405     -6.367472      1.258056
  H      -4.428996     -7.780235      1.775338
  H      -3.760249     -3.248809      0.193070
  H      -5.144090     -4.137178      0.833453
  H      -2.184826     -4.844304      1.216953
  H      -3.347117     -5.764468      0.220433
  C      -1.094284      0.173916      0.719878
  C      -1.069109     -0.688552      1.746268
  C      -0.143095     -0.495362      2.916727
  C      -1.920609     -1.940269      1.752785
  C      -3.398752     -1.784762      2.244607
  C      -4.221057     -0.899442      1.295610
  C      -3.412180     -1.129059      3.623214
  C      -6.705729     -5.575088      6.819976
  C      -7.860174     -5.291172      6.191618
  C      -8.925645     -4.455697      6.845030
  C      -8.172214     -5.824463      4.812043
  C      -7.431950     -5.117818      3.631656
  C      -8.043021     -5.618942      2.302579
  C      -7.695174     -3.606174      3.664053
  C      -3.027861     -6.515082      8.733849
  C      -2.668636     -6.662288      7.449956
  C      -3.370691     -7.627151      6.540403
  C      -1.523928     -5.879971      6.860557
  C      -1.891349     -4.615437      6.009121
  C      -0.579246     -3.867456      5.695456
  C      -2.747830     -3.699546      6.877086
  H      -0.475413      1.073102      0.716832
  H      -1.725675      0.006074     -0.154743
  H      -0.680411     -0.512623      3.877508
  H       0.408205      0.450941      2.844070
  H       0.589508     -1.318746      2.958127
  H      -1.450542     -2.693696      2.405098
  H      -1.942199     -2.357972      0.735502
  H      -3.815333      0.120438      1.290036
  H      -5.264958     -0.860788      1.637925
  H      -4.209358     -1.264939      0.260163
  H      -4.440587     -0.929249      3.949428
  H      -2.900797     -1.751954      4.372621
  H      -2.897187     -0.161328      3.573074
  H      -5.953950     -6.223782      6.369687
  H      -6.499336     -5.199640      7.825283
  H      -9.833226     -5.060569      7.004952
  H      -9.231999     -3.612606      6.205257
  H      -8.599473     -4.061827      7.816612
  H      -7.934962     -6.898169      4.762948
  H      -9.253821     -5.736466      4.625347
  H      -7.987755     -6.707523      2.177207
  H      -7.536936     -5.141078      1.451308
  H      -9.106168     -5.345036      2.264779
  H      -8.723070     -3.409662      3.332182
  H      -7.610462     -3.180392      4.668493
  H      -7.013717     -3.080547      2.978024
  H      -3.852356     -7.087560      9.163439
  H      -2.499947     -5.828429      9.398688
  H      -3.793379     -7.086305      5.680917
  H      -2.661630     -8.365276      6.129889
  H      -4.175455     -8.167629      7.055481
  H      -0.882578     -5.514150      7.676155
  H      -0.894177     -6.552270      6.255964
  H       0.157605     -4.506167      5.190831
  H      -0.121678     -3.505493      6.626702
  H      -0.785274     -2.999948      5.051387
  H      -3.746558     -4.120997      7.047380
  H      -2.273176     -3.580426      7.859836
  H      -2.812347     -2.698716      6.426727
  N      -5.260357     -2.939469      5.333675
  H      -4.631044     -2.407296      5.937725
  H      -5.857996     -3.517686      5.944359
  H      -5.871179     -2.269992      4.862076
87
Coordinates from ORCA-job orca E -5422.461812393767
  N      -3.998714     -3.152319      2.321579
  C      -4.088518     -3.875316      1.038138
  C      -3.238530     -5.133457      1.116989
  N      -3.642306     -5.881276      2.337409
  C      -4.797254     -6.788003      2.082080
  C      -5.641680     -6.808008      3.344727
  N      -5.976390     -5.414353      3.676490
  Mo     -4.286513     -4.343581      3.861094
  N      -2.585299     -4.961595      4.735274
  C      -1.699398     -5.697640      3.810075
  C      -2.512247     -6.631024      2.943659
  H      -0.962773     -6.304810      4.358172
  H      -1.116849     -4.999062      3.181304
  H      -2.939442     -7.425925      3.568960
  H      -1.900698     -7.103293      2.156594
  H      -6.533455     -7.430024      3.190457
  H      -5.087266     -7.293477      4.166024
  H      -5.390947     -6.370631      1.258954
  H      -4.433117     -7.785005      1.782905
  H      -3.749744     -3.256979      0.195763
  H      -5.139287     -4.141970      0.830545
  H      -2.181768     -4.854619      1.221193
  H      -3.345719     -5.773430      0.225277
  C      -1.111226      0.182124      0.720547
  C      -1.080783     -0.681274      1.746106
  C      -0.154826     -0.484349      2.915915
  C      -1.926551     -1.937022      1.752921
  C      -3.405810     -1.788158      2.243630
  C      -4.232094     -0.909138      1.292356
  C      -3.425159     -1.130922      3.621860
  C      -6.712428     -5.583251      6.810436
  C      -7.863762     -5.287006      6.181888
  C      -8.922334     -4.444277      6.837173
  C      -8.178772     -5.810685      4.799357
  C      -7.429759     -5.105663      3.623320
  C      -8.037569     -5.602996      2.291458
  C      -7.684813     -3.592384      3.656907
  C      -3.012014     -6.520217      8.740461
  C      -2.658773     -6.665417      7.454583
  C      -3.364455     -7.633197      6.549063
  C      -1.515630     -5.881252      6.861809
  C      -1.884823     -4.616907      6.010429
  C      -0.573200     -3.868983      5.694299
  C      -2.739404     -3.702504      6.881519
  H      -0.496659      1.084262      0.717611
  H      -1.742319      0.011937     -0.153829
  H      -0.691379     -0.504816      3.877193
  H       0.391916      0.464601      2.843358
  H       0.581728     -1.304259      2.956491
  H      -1.453752     -2.688208      2.405872
  H      -1.946107     -2.355784      0.735904
  H      -3.831129      0.112569      1.284757
  H      -5.276411     -0.873857      1.633878
  H      -4.218023     -1.276858      0.257747
  H      -4.455343     -0.935297      3.945374
  H      -2.914155     -1.753115      4.372019
  H      -2.913262     -0.161554      3.573822
  H      -5.965271     -6.236880      6.359264
  H      -6.504522     -5.211757      7.816903
  H      -9.835269     -5.041630      6.994704
  H      -9.220824     -3.596890      6.199347
  H      -8.593548     -4.055956      7.810120
  H      -7.950949     -6.886214      4.744832
  H      -9.259149     -5.711689      4.611294
  H      -7.982516     -6.691508      2.164509
  H      -7.527881     -5.124428      1.442667
  H      -9.100268     -5.327802      2.250636
  H      -8.709126     -3.388483      3.318398
  H      -7.604253     -3.168266      4.662501
  H      -6.995431     -3.069011      2.977032
  H      -3.832135     -7.095788      9.174594
  H      -2.482366     -5.832920      9.403296
  H      -3.789775     -7.096887      5.688023
  H      -2.656443     -8.372796      6.139385
  H      -4.167534     -8.171615      7.068948
  H      -0.872812     -5.514147      7.675633
  H      -0.886981     -6.554206      6.256669
  H       0.163746     -4.510343      5.193191
  H      -0.115900     -3.503327      6.624173
  H      -0.778185     -3.004307      5.046287
  H      -3.736395     -4.126331      7.056493
  H      -2.261651     -3.583908      7.862949
  H      -2.808307     -2.701120      6.432875
  N      -5.255752     -2.951566      5.343982
  H      -4.627422     -2.424957      5.953986
  H      -5.855291     -3.534959      5.948258
  H      -5.864880     -2.278125      4.875987
87
Coordinates from ORCA-job orca E -5422.461863251422
  N      -3.994514     -3.157963      2.322496
  C      -4.083180     -3.879990      1.038813
  C      -3.236774     -5.140186      1.120522
  N      -3.643962     -5.886584      2.340865
  C      -4.801073     -6.790241      2.084075
  C      -5.647897     -6.804582      3.345259
  N      -5.978622     -5.409526      3.674138
  Mo     -4.282395     -4.348013      3.862361
  N      -2.579948     -4.964261      4.737410
  C      -1.698685     -5.706399      3.812406
  C      -2.516034     -6.638362      2.948308
  H      -0.964687     -6.317242      4.360215
  H      -1.112089     -5.011539      3.183141
  H      -2.945179     -7.430629      3.575698
  H      -1.906918     -7.114660      2.161666
  H      -6.541236     -7.424950      3.192610
  H      -5.095123     -7.288874      4.168510
  H      -5.391375     -6.372466      1.258773
  H      -4.439201     -7.788966      1.788021
  H      -3.736865     -3.262863      0.198546
  H      -5.134217     -4.142283      0.826412
  H      -2.179608     -4.863109      1.225797
  H      -3.343998     -5.780563      0.229082
  C      -1.124820      0.189834      0.721383
  C      -1.088786     -0.674619      1.746009
  C      -0.161982     -0.474516      2.914452
  C      -1.929593     -1.933604      1.753771
  C      -3.409744     -1.790402      2.244189
  C      -4.240344     -0.916443      1.292186
  C      -3.432282     -1.132159      3.622080
  C      -6.725542     -5.593514      6.804548
  C      -7.873404     -5.288724      6.173309
  C      -8.929643     -4.443675      6.829362
  C      -8.186818     -5.802858      4.786818
  C      -7.429975     -5.095230      3.616326
  C      -8.033601     -5.585771      2.280233
  C      -7.680790     -3.581591      3.654824
  C      -3.000742     -6.515393      8.748458
  C      -2.650979     -6.662210      7.461778
  C      -3.359729     -7.631691      6.560746
  C      -1.507960     -5.880898      6.864955
  C      -1.875056     -4.618642      6.009493
  C      -0.561723     -3.876058      5.688268
  C      -2.724173     -3.699735      6.880767
  H      -0.514108      1.094588      0.718464
  H      -1.756279      0.017702     -0.152357
  H      -0.696557     -0.500742      3.876769
  H       0.378730      0.477989      2.843138
  H       0.579990     -1.289730      2.951949
  H      -1.454999     -2.682909      2.407541
  H      -1.947829     -2.353598      0.737225
  H      -3.845297      0.107543      1.284846
  H      -5.285196     -0.885975      1.632678
  H      -4.223469     -1.284236      0.257620
  H      -4.463724     -0.944289      3.946804
  H      -2.916199     -1.751563      4.371115
  H      -2.926757     -0.159569      3.574206
  H      -5.979408     -6.248825      6.354258
  H      -6.520397     -5.226084      7.813156
  H      -9.845047     -5.037973      6.984276
  H      -9.224433     -3.593905      6.193030
  H      -8.601070     -4.058766      7.803754
  H      -7.963269     -6.878928      4.726120
  H      -9.265993     -5.697608      4.595699
  H      -7.974411     -6.673331      2.147162
  H      -7.522714     -5.101154      1.435514
  H      -9.096969     -5.313225      2.238080
  H      -8.702917     -3.372360      3.312969
  H      -7.602552     -3.162205      4.662619
  H      -6.986795     -3.057040      2.980405
  H      -3.819770     -7.090193      9.185922
  H      -2.469716     -5.826714      9.408816
  H      -3.785620     -7.098269      5.698392
  H      -2.653788     -8.374123      6.152614
  H      -4.163042     -8.166005      7.084501
  H      -0.864109     -5.511466      7.676889
  H      -0.880888     -6.557413      6.262057
  H       0.172962     -4.524329      5.192429
  H      -0.103311     -3.505605      6.615615
  H      -0.763042     -3.015415      5.033853
  H      -3.717455     -4.125656      7.072067
  H      -2.236568     -3.569891      7.856059
  H      -2.802938     -2.702552      6.424421
  N      -5.249370     -2.968493      5.354101
  H      -4.620795     -2.446063      5.967451
  H      -5.849512     -3.555663      5.954249
  H      -5.858190     -2.291282      4.891280
87
Coordinates from ORCA-job orca E -5422.461894681724
  N      -3.991316     -3.161110      2.319976
  C      -4.077618     -3.883675      1.036559
  C      -3.233365     -5.145116      1.122404
  N      -3.644294     -5.889569      2.342859
  C      -4.803434     -6.790148      2.084197
  C      -5.652972     -6.800250      3.343221
  N      -5.980317     -5.403660      3.670233
  Mo     -4.279818     -4.348543      3.861271
  N      -2.577279     -4.964208      4.738463
  C      -1.698976     -5.712500      3.815295
  C      -2.518953     -6.643346      2.952680
  H      -0.967984     -6.325813      4.364643
  H      -1.108658     -5.020871      3.186048
  H      -2.950689     -7.433230      3.581344
  H      -1.910918     -7.123289      2.167388
  H      -6.547687     -7.418679      3.190687
  H      -5.102702     -7.284792      4.168155
  H      -5.390278     -6.371512      1.256863
  H      -4.443525     -7.790185      1.790429
  H      -3.725234     -3.268357      0.197484
  H      -5.128419     -4.143211      0.819754
  H      -2.176204     -4.868770      1.229724
  H      -3.338976     -5.786683      0.231617
  C      -1.128893      0.192302      0.719640
  C      -1.092402     -0.670036      1.746083
  C      -0.170277     -0.463843      2.916975
  C      -1.928762     -1.931674      1.754530
  C      -3.410573     -1.792098      2.241486
  C      -4.242461     -0.921777      1.287489
  C      -3.436271     -1.133059      3.618734
  C      -6.726064     -5.604598      6.798879
  C      -7.873250     -5.293397      6.169429
  C      -8.926153     -4.448136      6.830400
  C      -8.189535     -5.799413      4.780779
  C      -7.431295     -5.087609      3.613135
  C      -8.033649     -5.572585      2.274574
  C      -7.682078     -3.574531      3.658588
  C      -3.001158     -6.509513      8.751336
  C      -2.651510     -6.659185      7.464937
  C      -3.361866     -7.629795      6.566386
  C      -1.507114     -5.881176      6.866396
  C      -1.870237     -4.619227      6.009119
  C      -0.554819     -3.881502      5.685635
  C      -2.714078     -3.695089      6.879513
  H      -0.521685      1.099407      0.717054
  H      -1.756954      0.015882     -0.155695
  H      -0.707374     -0.493626      3.877811
  H       0.364660      0.492057      2.847336
  H       0.576974     -1.274171      2.956757
  H      -1.454301     -2.678185      2.411573
  H      -1.942982     -2.354310      0.739080
  H      -3.851987      0.103999      1.280842
  H      -5.288272     -0.895128      1.625425
  H      -4.221848     -1.289894      0.253081
  H      -4.468619     -0.951375      3.944290
  H      -2.915343     -1.748153      4.368113
  H      -2.936510     -0.157499      3.569536
  H      -5.981626     -6.260330      6.346484
  H      -6.520530     -5.241602      7.809028
  H      -9.842163     -5.041304      6.986484
  H      -9.221793     -3.596504      6.196964
  H      -8.594651     -4.065999      7.804890
  H      -7.968517     -6.875583      4.714030
  H      -9.268484     -5.690327      4.590834
  H      -7.968266     -6.658919      2.134495
  H      -7.525591     -5.080123      1.432677
  H      -9.098476     -5.305355      2.234529
  H      -8.704752     -3.363664      3.319444
  H      -7.601644     -3.160181      4.668403
  H      -6.989505     -3.046685      2.985250
  H      -3.821538     -7.081847      9.189412
  H      -2.469614     -5.819861      9.410306
  H      -3.787305     -7.098321      5.702422
  H      -2.657491     -8.374600      6.159882
  H      -4.166739     -8.160570      7.091337
  H      -0.862523     -5.511774      7.677805
  H      -0.881527     -6.560339      6.264807
  H       0.177429     -4.533677      5.191115
  H      -0.094800     -3.510674      6.612039
  H      -0.753405     -3.021522      5.029482
  H      -3.705618     -4.119896      7.082700
  H      -2.219089     -3.556192      7.849915
  H      -2.797469     -2.701501      6.416329
  N      -5.247701     -2.981231      5.359952
  H      -4.619598     -2.459134      5.974052
  H      -5.845302     -3.572206      5.958961
  H      -5.859497     -2.303100      4.902267
87
Coordinates from ORCA-job orca E -5422.461916816899
  N      -3.990171     -3.161956      2.319405
  C      -4.074628     -3.884360      1.035433
  C      -3.231164     -5.146312      1.123279
  N      -3.644065     -5.890199      2.343565
  C      -4.804527     -6.789077      2.084047
  C      -5.655430     -6.797684      3.342069
  N      -5.981179     -5.399880      3.668072
  Mo     -4.278182     -4.348521      3.861021
  N      -2.574618     -4.963452      4.738366
  C      -1.698473     -5.714952      3.815112
  C      -2.519947     -6.645511      2.953777
  H      -0.968362     -6.329149      4.364632
  H      -1.107313     -5.024585      3.185367
  H      -2.952623     -7.434444      3.583022
  H      -1.912561     -7.127217      2.169050
  H      -6.550738     -7.414886      3.188874
  H      -5.106981     -7.283401      4.167692
  H      -5.389750     -6.369542      1.255995
  H      -4.445814     -7.789671      1.790795
  H      -3.719239     -3.269796      0.197101
  H      -5.125135     -4.142622      0.816018
  H      -2.174326     -4.869390      1.232530
  H      -3.334712     -5.788525      0.232710
  C      -1.130437      0.191228      0.716616
  C      -1.093317     -0.668185      1.745478
  C      -0.171937     -0.457598      2.916206
  C      -1.927425     -1.931073      1.756435
  C      -3.410087     -1.792755      2.241551
  C      -4.242263     -0.923493      1.286910
  C      -3.438000     -1.134247      3.618754
  C      -6.733348     -5.610206      6.799163
  C      -7.878791     -5.296667      6.167527
  C      -8.932945     -4.453054      6.828679
  C      -8.192304     -5.799556      4.777154
  C      -7.432731     -5.084396      3.611952
  C      -8.033323     -5.564958      2.270983
  C      -7.684863     -3.571988      3.661910
  C      -3.002618     -6.500765      8.752149
  C      -2.651651     -6.655474      7.466709
  C      -3.362957     -7.627345      6.570599
  C      -1.505378     -5.881830      6.866452
  C      -1.865023     -4.619803      6.008033
  C      -0.547755     -3.886474      5.681683
  C      -2.703375     -3.690687      6.878347
  H      -0.524628      1.099277      0.712238
  H      -1.757688      0.011381     -0.158631
  H      -0.708742     -0.489327      3.877038
  H       0.359187      0.500432      2.846308
  H       0.578813     -1.264734      2.956222
  H      -1.452972     -2.675406      2.416043
  H      -1.939687     -2.356441      0.742100
  H      -3.854272      0.103255      1.281485
  H      -5.288616     -0.899497      1.623440
  H      -4.219609     -1.290953      0.252321
  H      -4.471014     -0.959137      3.945984
  H      -2.911434     -1.744800      4.367871
  H      -2.944587     -0.155438      3.568075
  H      -5.988058     -6.265390      6.347551
  H      -6.530581     -5.249943      7.810896
  H      -9.848243     -5.047617      6.984087
  H      -9.229904     -3.601360      6.195966
  H      -8.602505     -4.071263      7.803672
  H      -7.971031     -6.875517      4.708646
  H      -9.270921     -5.690408      4.585440
  H      -7.962919     -6.650123      2.124893
  H      -7.527359     -5.065639      1.431875
  H      -9.099369     -5.302263      2.232218
  H      -8.708722     -3.361853      3.325871
  H      -7.602286     -3.160854      4.672870
  H      -6.994834     -3.041781      2.987847
  H      -3.825299     -7.069645      9.190389
  H      -2.470379     -5.810190      9.409613
  H      -3.788018     -7.097426      5.705523
  H      -2.659693     -8.374195      6.165935
  H      -4.169029     -8.155517      7.096399
  H      -0.859423     -5.513450      7.677335
  H      -0.881735     -6.563282      6.265518
  H       0.181168     -4.540071      5.184132
  H      -0.084126     -3.518192      6.607331
  H      -0.745943     -3.024909      5.027411
  H      -3.693156     -4.114472      7.091684
  H      -2.201149     -3.543987      7.843893
  H      -2.790175     -2.700311      6.408842
  N      -5.245675     -2.992076      5.367403
  H      -4.617714     -2.471889      5.983309
  H      -5.842487     -3.586262      5.964064
  H      -5.858808     -2.311741      4.914512
87
Coordinates from ORCA-job orca E -5422.461932672823
  N      -3.989811     -3.162783      2.316891
  C      -4.071912     -3.885973      1.032894
  C      -3.228620     -5.147905      1.122885
  N      -3.643672     -5.890745      2.343129
  C      -4.805437     -6.787935      2.082948
  C      -5.657699     -6.795451      3.339986
  N      -5.981965     -5.396614      3.665281
  Mo     -4.277768     -4.347479      3.859460
  N      -2.573985     -4.962646      4.737404
  C      -1.698986     -5.716959      3.814730
  C      -2.521205     -6.647612      2.954502
  H      -0.969325     -6.330784      4.365109
  H      -1.107806     -5.027826      3.183753
  H      -2.955420     -7.435373      3.584173
  H      -1.913910     -7.131091      2.170801
  H      -6.553767     -7.411060      3.185051
  H      -5.111681     -7.283005      4.166186
  H      -5.389296     -6.367528      1.254349
  H      -4.447971     -7.789045      1.789906
  H      -3.715600     -3.272006      0.194542
  H      -5.122069     -4.144282      0.812148
  H      -2.172170     -4.870344      1.234322
  H      -3.329899     -5.791056      0.232744
  C      -1.126405      0.187529      0.714191
  C      -1.093184     -0.667073      1.747169
  C      -0.178416     -0.449550      2.921857
  C      -1.925017     -1.931361      1.759259
  C      -3.409102     -1.793692      2.239466
  C      -4.239324     -0.925622      1.281970
  C      -3.441433     -1.134448      3.615981
  C      -6.732294     -5.619606      6.797256
  C      -7.877606     -5.302046      6.167370
  C      -8.929780     -4.458636      6.831866
  C      -8.192499     -5.800649      4.775805
  C      -7.434199     -5.081976      3.612276
  C      -8.035261     -5.557985      2.269831
  C      -7.686853     -3.569822      3.667662
  C      -3.008471     -6.491048      8.751448
  C      -2.655293     -6.651398      7.467280
  C      -3.366768     -7.625228      6.573429
  C      -1.506600     -5.882048      6.865945
  C      -1.862735     -4.619605      6.006593
  C      -0.543691     -3.890072      5.678224
  C      -2.696772     -3.685932      6.876343
  H      -0.522345      1.096762      0.709101
  H      -1.748911      0.002581     -0.163401
  H      -0.719996     -0.480253      3.880012
  H       0.349773      0.510100      2.851766
  H       0.574997     -1.253903      2.968026
  H      -1.451514     -2.672923      2.422746
  H      -1.933106     -2.359909      0.746225
  H      -3.852364      0.101512      1.276770
  H      -5.286546     -0.902905      1.615922
  H      -4.213816     -1.293837      0.247724
  H      -4.475538     -0.963988      3.942196
  H      -2.911925     -1.740264      4.366732
  H      -2.952986     -0.153037      3.563854
  H      -5.988631     -6.274942      6.343035
  H      -6.527657     -5.262724      7.809815
  H      -9.845247     -5.052888      6.987741
  H      -9.227320     -3.605380      6.201557
  H      -8.597345     -4.079208      7.807109
  H      -7.972503     -6.876695      4.704667
  H      -9.271198     -5.690167      4.585160
  H      -7.962423     -6.642248      2.118396
  H      -7.531408     -5.053239      1.432726
  H      -9.102034     -5.297771      2.233428
  H      -8.712408     -3.360116      3.336430
  H      -7.600585     -3.161909      4.679603
  H      -7.000169     -3.037674      2.991827
  H      -3.833166     -7.057089      9.189665
  H      -2.475747     -5.799597      9.407588
  H      -3.791298     -7.097470      5.706762
  H      -2.663906     -8.373814      6.171318
  H      -4.173739     -8.151562      7.099775
  H      -0.859198     -5.515347      7.676511
  H      -0.884921     -6.565489      6.265371
  H       0.182118     -4.543445      5.176053
  H      -0.076320     -3.525700      6.603570
  H      -0.742374     -3.025842      5.027501
  H      -3.686011     -4.108018      7.094696
  H      -2.190319     -3.535266      7.839032
  H      -2.783482     -2.697506      6.402543
  N      -5.244486     -2.998533      5.372543
  H      -4.616752     -2.482674      5.992344
  H      -5.843576     -3.594977      5.964844
  H      -5.856028     -2.314347      4.923135
87
Coordinates from ORCA-job orca E -5422.461943661489
  N      -3.991275     -3.162816      2.317327
  C      -4.072098     -3.886587      1.033287
  C      -3.227669     -5.147802      1.123382
  N      -3.642746     -5.890752      2.343620
  C      -4.804944     -6.787535      2.083542
  C      -5.657660     -6.795366      3.340223
  N      -5.981377     -5.396182      3.665587
  Mo     -4.277304     -4.346971      3.860549
  N      -2.572342     -4.962343      4.736873
  C      -1.697975     -5.717281      3.813684
  C      -2.520651     -6.648382      2.954609
  H      -0.967283     -6.329896      4.363842
  H      -1.108395     -5.028291      3.181088
  H      -2.955188     -7.435794      3.584489
  H      -1.913614     -7.132277      2.170973
  H      -6.554183     -7.409774      3.183005
  H      -5.113565     -7.284763      4.166580
  H      -5.388747     -6.366594      1.255177
  H      -4.448027     -7.788695      1.789925
  H      -3.717512     -3.272205      0.194528
  H      -5.122105     -4.146173      0.813340
  H      -2.171617     -4.869136      1.235874
  H      -3.327536     -5.791230      0.233300
  C      -1.126198      0.184138      0.710876
  C      -1.094475     -0.666926      1.746773
  C      -0.181352     -0.445289      2.922074
  C      -1.925703     -1.931707      1.761065
  C      -3.409787     -1.793874      2.240385
  C      -4.239245     -0.925466      1.282364
  C      -3.443837     -1.134929      3.617004
  C      -6.739847     -5.621213      6.799459
  C      -7.883024     -5.301920      6.166606
  C      -8.936491     -4.458105      6.828542
  C      -8.193892     -5.800442      4.774003
  C      -7.433730     -5.081434      3.612356
  C      -8.033339     -5.555625      2.268591
  C      -7.684888     -3.568845      3.668599
  C      -3.009895     -6.484816      8.749489
  C      -2.654921     -6.649897      7.466410
  C      -3.366464     -7.625524      6.574384
  C      -1.504622     -5.883405      6.864223
  C      -1.859187     -4.620030      6.005584
  C      -0.539407     -3.892370      5.675642
  C      -2.689926     -3.684543      6.876704
  H      -0.522520      1.093617      0.703778
  H      -1.747381     -0.003890     -0.167006
  H      -0.723988     -0.474038      3.879614
  H       0.345835      0.514764      2.850041
  H       0.572954     -1.248638      2.971052
  H      -1.451602     -2.671869      2.425760
  H      -1.933300     -2.361965      0.748723
  H      -3.851783      0.101438      1.276998
  H      -5.286513     -0.902827      1.616158
  H      -4.213656     -1.293846      0.248208
  H      -4.478416     -0.967984      3.943512
  H      -2.911695     -1.738153      4.367894
  H      -2.959039     -0.151679      3.564273
  H      -5.996229     -6.277380      6.346382
  H      -6.536825     -5.265963      7.812895
  H      -9.852532     -5.052142      6.981850
  H      -9.231993     -3.604396      6.197940
  H      -8.606290     -4.079384      7.804820
  H      -7.974247     -6.876644      4.704182
  H      -9.272150     -5.689995      4.580615
  H      -7.961177     -6.639759      2.115889
  H      -7.528069     -5.049948      1.432939
  H      -9.099928     -5.294714      2.231208
  H      -8.710901     -3.358690      3.338969
  H      -7.596746     -3.161364      4.680462
  H      -6.998743     -3.037718      2.991499
  H      -3.836058     -7.048560      9.187847
  H      -2.477028     -5.792328      9.404376
  H      -3.791438     -7.099290      5.706923
  H      -2.663537     -8.374799      6.173737
  H      -4.173199     -8.151457      7.101517
  H      -0.855343     -5.518744      7.674218
  H      -0.885127     -6.567814      6.262613
  H       0.184000     -4.544285      5.168422
  H      -0.068637     -3.531964      6.600821
  H      -0.739647     -3.025427      5.028946
  H      -3.678722     -4.106102      7.097315
  H      -2.180495     -3.533608      7.837723
  H      -2.776329     -2.696561      6.401747
  N      -5.242263     -3.003687      5.380014
  H      -4.614029     -2.490790      6.001757
  H      -5.841179     -3.602475      5.970207
  H      -5.854073     -2.317347      4.934063
87
Coordinates from ORCA-job orca E -5422.461952647090
  N      -3.992305     -3.163159      2.316987
  C      -4.071935     -3.887944      1.033347
  C      -3.226482     -5.148315      1.123829
  N      -3.642040     -5.891291      2.343903
  C      -4.804507     -6.787692      2.083561
  C      -5.658178     -6.795535      3.339710
  N      -5.981257     -5.396407      3.665530
  Mo     -4.277658     -4.346753      3.860910
  N      -2.572138     -4.962271      4.736542
  C      -1.697783     -5.717640      3.813518
  C      -2.520577     -6.649339      2.955230
  H      -0.966298     -6.328966      4.363833
  H      -1.109340     -5.029016      3.179442
  H      -2.955740     -7.436224      3.585327
  H      -1.913525     -7.133714      2.171887
  H      -6.555226     -7.408692      3.180160
  H      -5.116050     -7.286412      4.166421
  H      -5.388057     -6.366566      1.255124
  H      -4.447935     -7.788961      1.789818
  H      -3.719461     -3.273132      0.194019
  H      -5.121838     -4.149123      0.814694
  H      -2.170741     -4.868906      1.237392
  H      -3.325169     -5.791957      0.233785
  C      -1.124985      0.181305      0.708169
  C      -1.095694     -0.666551      1.746759
  C      -0.185560     -0.440886      2.923680
  C      -1.926431     -1.931820      1.762273
  C      -3.410755     -1.794039      2.239905
  C      -4.239189     -0.926387      1.280144
  C      -3.447602     -1.134138      3.616060
  C      -6.740613     -5.629453      6.797675
  C      -7.882955     -5.305412      6.165744
  C      -8.933851     -4.459375      6.828804
  C      -8.194365     -5.800480      4.771908
  C      -7.433293     -5.080215      3.612306
  C      -8.032994     -5.550934      2.267330
  C      -7.682010     -3.567109      3.671338
  C      -3.014171     -6.478727      8.748589
  C      -2.657231     -6.647628      7.466532
  C      -3.368210     -7.624951      6.575946
  C      -1.505226     -5.883692      6.864169
  C      -1.857898     -4.619903      6.005157
  C      -0.537241     -3.894114      5.674475
  C      -2.686594     -3.682932      6.876756
  H      -0.521742      1.091072      0.699756
  H      -1.743893     -0.009612     -0.170714
  H      -0.730473     -0.466508      3.879980
  H       0.341479      0.519091      2.849617
  H       0.568877     -1.243831      2.976978
  H      -1.451888     -2.670782      2.428033
  H      -1.933195     -2.363287      0.750422
  H      -3.850940      0.100173      1.273586
  H      -5.286631     -0.903116      1.613318
  H      -4.213085     -1.296103      0.246472
  H      -4.482956     -0.969747      3.941420
  H      -2.914499     -1.735403      4.367738
  H      -2.965461     -0.149595      3.563115
  H      -5.999650     -6.287235      6.342395
  H      -6.535196     -5.277240      7.811676
  H      -9.851983     -5.050653      6.980124
  H      -9.225692     -3.603128      6.199978
  H      -8.602774     -4.084210      7.806163
  H      -7.976695     -6.876990      4.700449
  H      -9.272456     -5.687911      4.578567
  H      -7.964208     -6.635136      2.113474
  H      -7.525362     -5.045664      1.432880
  H      -9.098769     -5.286726      2.229367
  H      -8.708133     -3.354966      3.343224
  H      -7.592112     -3.161500      4.683729
  H      -6.995499     -3.036449      2.994314
  H      -3.841310     -7.040997      9.187078
  H      -2.481585     -5.785243      9.402627
  H      -3.792986     -7.100310      5.707471
  H      -2.664890     -8.374835      6.177165
  H      -4.174724     -8.150573      7.103742
  H      -0.854735     -5.520475      7.673821
  H      -0.887470     -6.569322      6.262250
  H       0.184782     -4.545729      5.165099
  H      -0.064786     -3.535696      6.599553
  H      -0.737703     -3.025935      5.029465
  H      -3.675171     -4.104308      7.098285
  H      -2.175683     -3.532649      7.837038
  H      -2.772478     -2.695148      6.401230
  N      -5.239907     -3.005914      5.384877
  H      -4.610832     -2.497944      6.009785
  H      -5.841483     -3.605497      5.971675
  H      -5.849082     -2.315984      4.940931
87
Coordinates from ORCA-job orca E -5422.461961889359
  N      -3.993889     -3.163852      2.317914
  C      -4.073299     -3.889836      1.035003
  C      -3.226177     -5.148979      1.125219
  N      -3.641139     -5.892416      2.345248
  C      -4.803578     -6.788739      2.084782
  C      -5.658094     -6.796707      3.340412
  N      -5.980148     -5.398005      3.667586
  Mo     -4.277272     -4.347302      3.862803
  N      -2.570402     -4.962702      4.736456
  C      -1.696389     -5.718300      3.813443
  C      -2.519753     -6.650451      2.956232
  H      -0.964076     -6.328744      4.363519
  H      -1.108839     -5.030069      3.178065
  H      -2.955063     -7.436866      3.586805
  H      -1.913220     -7.135128      2.172648
  H      -6.555831     -7.408432      3.178559
  H      -5.117767     -7.289046      4.167387
  H      -5.387049     -6.367616      1.256308
  H      -4.447118     -7.790034      1.790984
  H      -3.723645     -3.274484      0.194909
  H      -5.123194     -4.153016      0.818562
  H      -2.170682     -4.868746      1.238919
  H      -3.324416     -5.792571      0.235090
  C      -1.126801      0.180067      0.705765
  C      -1.099187     -0.665507      1.746265
  C      -0.191897     -0.436349      2.924682
  C      -1.929283     -1.931323      1.762545
  C      -3.413435     -1.794262      2.240150
  C      -4.242070     -0.927513      1.279617
  C      -3.451432     -1.133681      3.616040
  C      -6.746954     -5.633441      6.798200
  C      -7.886926     -5.305174      6.164189
  C      -8.936988     -4.456556      6.825182
  C      -8.195887     -5.798343      4.768969
  C      -7.431153     -5.078605      3.611685
  C      -8.029287     -5.547478      2.265415
  C      -7.675896     -3.564750      3.671254
  C      -3.015873     -6.474748      8.746854
  C      -2.657307     -6.646879      7.465672
  C      -3.368262     -7.625477      6.576285
  C      -1.503730     -5.885121      6.863328
  C      -1.854542     -4.620564      6.004610
  C      -0.533001     -3.896960      5.672980
  C      -2.680486     -3.682356      6.877463
  H      -0.524266      1.090294      0.696481
  H      -1.743672     -0.013182     -0.174050
  H      -0.738943     -0.458664      3.879850
  H       0.335330      0.523359      2.848561
  H       0.562380     -1.239138      2.982229
  H      -1.453591     -2.669646      2.428197
  H      -1.936275     -2.362963      0.750766
  H      -3.853084      0.098735      1.271526
  H      -5.289372     -0.903372      1.613098
  H      -4.216389     -1.298502      0.246383
  H      -4.487191     -0.971313      3.941169
  H      -2.917347     -1.734264      4.367577
  H      -2.971095     -0.148295      3.563264
  H      -6.007752     -6.293335      6.343101
  H      -6.541949     -5.283948      7.813214
  H      -9.857672     -5.044821      6.972485
  H      -9.223461     -3.598214      6.196784
  H      -8.607631     -4.084267      7.804224
  H      -7.979716     -6.875141      4.697306
  H      -9.273421     -5.684050      4.573412
  H      -7.965343     -6.632243      2.113108
  H      -7.516838     -5.045594      1.431882
  H      -9.093671     -5.278200      2.224319
  H      -8.701227     -3.349374      3.342810
  H      -7.585016     -3.160025      4.683863
  H      -6.987167     -3.035884      2.995064
  H      -3.844208     -7.035047      9.185522
  H      -2.483631     -5.780235      9.400068
  H      -3.793149     -7.101953      5.707125
  H      -2.664843     -8.375819      6.178564
  H      -4.174431     -8.150725      7.104951
  H      -0.851845     -5.523504      7.672526
  H      -0.888125     -6.571993      6.260626
  H       0.187850     -4.549683      5.163432
  H      -0.059493     -3.539089      6.597700
  H      -0.732554     -3.028697      5.027813
  H      -3.668770     -4.103259      7.101130
  H      -2.167435     -3.533287      7.836769
  H      -2.766439     -2.694529      6.402066
  N      -5.235451     -3.009127      5.391836
  H      -4.604571     -2.504367      6.017469
  H      -5.836694     -3.609867      5.977768
  H      -5.844481     -2.317188      4.950844
87
Coordinates from ORCA-job orca E -5422.461968309056
  N      -3.994517     -3.164163      2.318688
  C      -4.073455     -3.891023      1.036340
  C      -3.225399     -5.149399      1.126945
  N      -3.640480     -5.893327      2.346658
  C      -4.802692     -6.789647      2.085484
  C      -5.658471     -6.797688      3.340377
  N      -5.979631     -5.399532      3.669154
  Mo     -4.277502     -4.347864      3.863932
  N      -2.569699     -4.962654      4.736985
  C      -1.695719     -5.718448      3.814448
  C      -2.519219     -6.650981      2.957772
  H      -0.963330     -6.328772      4.364551
  H      -1.107962     -5.030638      3.178768
  H      -2.954579     -7.437013      3.588790
  H      -1.912923     -7.135981      2.174170
  H      -6.556645     -7.408467      3.177063
  H      -5.119310     -7.290881      4.167608
  H      -5.385646     -6.368822      1.256508
  H      -4.445970     -7.790973      1.792167
  H      -3.724693     -3.275534      0.195968
  H      -5.123196     -4.155384      0.820609
  H      -2.170079     -4.868701      1.240963
  H      -3.323135     -5.792847      0.236629
  C      -1.130272      0.180614      0.703182
  C      -1.101967     -0.664178      1.744318
  C      -0.194153     -0.433701      2.922047
  C      -1.931632     -1.930264      1.761608
  C      -3.415598     -1.794141      2.240267
  C      -4.245080     -0.928450      1.279546
  C      -3.454004     -1.133290      3.616063
  C      -6.749933     -5.640093      6.796687
  C      -7.888404     -5.307063      6.162380
  C      -8.936239     -4.455708      6.823286
  C      -8.197280     -5.796982      4.765942
  C      -7.429597     -5.076874      3.610677
  C      -8.026718     -5.543417      2.263183
  C      -7.671498     -3.562775      3.672118
  C      -3.018888     -6.471811      8.746266
  C      -2.658844     -6.645836      7.465751
  C      -3.369516     -7.625006      6.576946
  C      -1.503967     -5.885812      6.863904
  C      -1.852988     -4.620871      6.005093
  C      -0.530564     -3.899126      5.673241
  C      -2.676755     -3.681631      6.878726
  H      -0.528004      1.091005      0.692746
  H      -1.747404     -0.013518     -0.176271
  H      -0.740662     -0.453666      3.877541
  H       0.333712      0.525489      2.843799
  H       0.559625     -1.236868      2.980846
  H      -1.454767     -2.668418      2.426603
  H      -1.939667     -2.361672      0.749732
  H      -3.855821      0.097700      1.270136
  H      -5.292183     -0.903564      1.613541
  H      -4.219978     -1.300455      0.246648
  H      -4.490003     -0.972908      3.941533
  H      -2.918849     -1.733785      4.366940
  H      -2.975186     -0.147237      3.563688
  H      -6.012963     -6.301847      6.340669
  H      -6.544300     -5.293482      7.812576
  H      -9.859603     -5.040449      6.967695
  H      -9.217921     -3.594953      6.196022
  H      -8.607115     -4.086706      7.803650
  H      -7.982563     -6.873928      4.692302
  H      -9.274448     -5.680526      4.569699
  H      -7.967027     -6.628600      2.111931
  H      -7.510076     -5.044508      1.430456
  H      -9.089811     -5.269550      2.219469
  H      -8.696086     -3.344406      3.343441
  H      -7.580070     -3.160056      4.685490
  H      -6.980936     -3.034077      2.997607
  H      -3.848358     -7.030489      9.184822
  H      -2.487080     -5.776693      9.399208
  H      -3.794010     -7.102217      5.707160
  H      -2.666155     -8.375899      6.180167
  H      -4.175899     -8.149453      7.106053
  H      -0.851575     -5.525083      7.673066
  H      -0.889680     -6.573768      6.261085
  H       0.190123     -4.553988      5.166139
  H      -0.057626     -3.539932      6.597722
  H      -0.728068     -3.032044      5.025920
  H      -3.664720     -4.101864      7.105224
  H      -2.161792     -3.532903      7.837078
  H      -2.763226     -2.693869      6.403378
  N      -5.232137     -3.011904      5.396695
  H      -4.599526     -2.509597      6.022485
  H      -5.833110     -3.613346      5.982157
  H      -5.840990     -2.318282      4.958179
87
Coordinates from ORCA-job orca E -5422.461972187856
  N      -3.994515     -3.164596      2.318825
  C      -4.073617     -3.891876      1.036806
  C      -3.225268     -5.149986      1.127738
  N      -3.640220     -5.894024      2.347424
  C      -4.802277     -6.790396      2.086005
  C      -5.658437     -6.798575      3.340687
  N      -5.978869     -5.400727      3.670776
  Mo     -4.277289     -4.348377      3.864254
  N      -2.568803     -4.962597      4.737071
  C      -1.695105     -5.718648      3.814769
  C      -2.518824     -6.651268      2.958450
  H      -0.963079     -6.329555      4.364790
  H      -1.106636     -5.031148      3.179404
  H      -2.953915     -7.437046      3.589986
  H      -1.912891     -7.136620      2.174769
  H      -6.556816     -7.409016      3.177350
  H      -5.119267     -7.292105      4.167757
  H      -5.384939     -6.369871      1.256669
  H      -4.445332     -7.791754      1.793113
  H      -3.724572     -3.276723      0.196308
  H      -5.123234     -4.156505      0.820948
  H      -2.169964     -4.869166      1.241476
  H      -3.323061     -5.793404      0.237372
  C      -1.132507      0.182227      0.702691
  C      -1.103994     -0.662769      1.743684
  C      -0.197136     -0.431673      2.921952
  C      -1.932841     -1.929250      1.760590
  C      -3.416922     -1.794294      2.239706
  C      -4.247320     -0.929517      1.279050
  C      -3.454892     -1.133335      3.615410
  C      -6.752914     -5.641502      6.797345
  C      -7.890287     -5.306958      6.161786
  C      -8.938000     -4.454678      6.821688
  C      -8.198067     -5.796011      4.764839
  C      -7.428208     -5.075960      3.610423
  C      -8.024504     -5.541713      2.262334
  C      -7.668737     -3.561920      3.672621
  C      -3.020466     -6.470780      8.745403
  C      -2.659729     -6.645643      7.465202
  C      -3.370817     -7.624582      6.576475
  C      -1.503890     -5.886810      6.863752
  C      -1.851505     -4.621462      6.005054
  C      -0.528279     -3.901359      5.672818
  C      -2.673246     -3.681032      6.879166
  H      -0.530870      1.093038      0.692618
  H      -1.749096     -0.012216     -0.177079
  H      -0.744414     -0.450660      3.877062
  H       0.331039      0.527330      2.843402
  H       0.556413     -1.234955      2.982180
  H      -1.455661     -2.667378      2.425376
  H      -1.940836     -2.360264      0.748564
  H      -3.858456      0.096810      1.268964
  H      -5.294322     -0.904472      1.613350
  H      -4.222493     -1.302044      0.246326
  H      -4.490847     -0.973876      3.941543
  H      -2.918926     -1.733831      4.365751
  H      -2.976652     -0.147012      3.562984
  H      -6.016179     -6.303858      6.341919
  H      -6.548444     -5.295812      7.813799
  H      -9.862485     -5.038085      6.964329
  H      -9.217554     -3.593205      6.194441
  H      -8.609966     -4.086576      7.802757
  H      -7.983358     -6.872897      4.690519
  H      -9.274960     -5.679058      4.567531
  H      -7.966925     -6.627171      2.112147
  H      -7.505378     -5.044898      1.429890
  H      -9.086869     -5.265411      2.216712
  H      -8.693026     -3.342079      3.344082
  H      -7.576762     -3.160309      4.686419
  H      -6.977594     -3.032907      2.998879
  H      -3.850975     -7.028016      9.183776
  H      -2.488525     -5.775756      9.398368
  H      -3.794847     -7.101934      5.706335
  H      -2.668008     -8.376172      6.180042
  H      -4.177876     -8.147892      7.105681
  H      -0.851375     -5.526620      7.673065
  H      -0.890290     -6.575465      6.261030
  H       0.192290     -4.558355      5.168187
  H      -0.055943     -3.540629      6.597014
  H      -0.723828     -3.035490      5.023326
  H      -3.661119     -4.099944      7.108583
  H      -2.156545     -3.531916      7.836562
  H      -2.759856     -2.693375      6.403632
  N      -5.228993     -3.013804      5.399439
  H      -4.594893     -2.512066      6.024133
  H      -5.828855     -3.615585      5.985622
  H      -5.838641     -2.319656      4.962842
87
Coordinates from ORCA-job orca E -5422.461974501221
  N      -3.993994     -3.164329      2.318525
  C      -4.072783     -3.891559      1.036420
  C      -3.224850     -5.149947      1.127951
  N      -3.640157     -5.893851      2.347597
  C      -4.802053     -6.790360      2.085885
  C      -5.658270     -6.799017      3.340534
  N      -5.978567     -5.401337      3.671535
  Mo     -4.277678     -4.348165      3.863666
  N      -2.569171     -4.962050      4.737318
  C      -1.695310     -5.718008      3.815237
  C      -2.518699     -6.650749      2.958808
  H      -0.963701     -6.329415      4.365339
  H      -1.106216     -5.030488      3.180493
  H      -2.953521     -7.436502      3.590572
  H      -1.912684     -7.136247      2.175285
  H      -6.556571     -7.409634      3.177634
  H      -5.118565     -7.292652      4.167213
  H      -5.384506     -6.370013      1.256304
  H      -4.444836     -7.791682      1.793191
  H      -3.722294     -3.276893      0.196147
  H      -5.122229     -4.155682      0.819270
  H      -2.169509     -4.869283      1.241717
  H      -3.322562     -5.793415      0.237593
  C      -1.134123      0.183835      0.702149
  C      -1.104170     -0.661977      1.742448
  C      -0.195695     -0.431819      2.919644
  C      -1.932773     -1.928486      1.759470
  C      -3.416913     -1.794015      2.239262
  C      -4.247919     -0.929451      1.279068
  C      -3.454178     -1.133374      3.615111
  C      -6.752737     -5.641766      6.797606
  C      -7.890176     -5.307528      6.161950
  C      -8.938008     -4.455438      6.821898
  C      -8.197965     -5.796546      4.765105
  C      -7.427813     -5.076191      3.610676
  C      -8.023973     -5.541861      2.262534
  C      -7.668592     -3.562408      3.673573
  C      -3.022459     -6.470990      8.744965
  C      -2.661348     -6.645723      7.464859
  C      -3.372582     -7.624123      6.575741
  C      -1.505033     -5.887303      6.863929
  C      -1.852078     -4.621622      6.005584
  C      -0.528453     -3.901928      5.673711
  C      -2.673052     -3.680886      6.879987
  H      -0.532455      1.094622      0.691988
  H      -1.751920     -0.009953     -0.176921
  H      -0.741838     -0.450679      3.875403
  H       0.333072      0.526843      2.840828
  H       0.557361     -1.235638      2.978898
  H      -1.455594     -2.666737      2.424121
  H      -1.941001     -2.359380      0.747397
  H      -3.859383      0.097026      1.268844
  H      -5.294806     -0.904404      1.613758
  H      -4.223497     -1.302013      0.246350
  H      -4.489974     -0.974291      3.941973
  H      -2.917622     -1.733855      4.365064
  H      -2.976191     -0.146939      3.562523
  H      -6.015627     -6.303811      6.342386
  H      -6.548809     -5.295871      7.814108
  H      -9.862525     -5.038824      6.964508
  H      -9.217719     -3.594006      6.194637
  H      -8.610144     -4.087192      7.802968
  H      -7.982745     -6.873287      4.690329
  H      -9.274839     -5.679801      4.567692
  H      -7.966652     -6.627382      2.112663
  H      -7.504348     -5.045617      1.430050
  H      -9.086189     -5.265134      2.216380
  H      -8.693180     -3.342652      3.345932
  H      -7.575922     -3.161422      4.687586
  H      -6.978280     -3.032443      2.999694
  H      -3.853562     -7.027631      9.182963
  H      -2.490319     -5.776452      9.398307
  H      -3.796077     -7.101401      5.705351
  H      -2.670164     -8.376212      6.179572
  H      -4.180420     -8.146620      7.104580
  H      -0.852834     -5.527384      7.673643
  H      -0.891308     -6.575966      6.261369
  H       0.192414     -4.559643      5.170393
  H      -0.056850     -3.540451      6.598010
  H      -0.723067     -3.036526      5.023338
  H      -3.661196     -4.098671      7.110253
  H      -2.155924     -3.531911      7.837207
  H      -2.758953     -2.692934      6.404884
  N      -5.227931     -3.014076      5.399827
  H      -4.593023     -2.512209      6.023569
  H      -5.827097     -3.615894      5.986659
  H      -5.838181     -2.319778      4.964250
87
Coordinates from ORCA-job orca E -5422.461976077106
  N      -3.993413     -3.164102      2.317817
  C      -4.072212     -3.891153      1.035547
  C      -3.224873     -5.149975      1.127449
  N      -3.640235     -5.893456      2.347337
  C      -4.802006     -6.790238      2.085816
  C      -5.657611     -6.799473      3.340849
  N      -5.978154     -5.401843      3.672296
  Mo     -4.277997     -4.347723      3.862746
  N      -2.569664     -4.961505      4.737245
  C      -1.695576     -5.717130      3.815095
  C      -2.518594     -6.650064      2.958594
  H      -0.964077     -6.328727      4.365168
  H      -1.106355     -5.029369      3.180748
  H      -2.953051     -7.435892      3.590516
  H      -1.912458     -7.135567      2.175182
  H      -6.555703     -7.410530      3.178745
  H      -5.116983     -7.293006      4.166981
  H      -5.384659     -6.369962      1.256330
  H      -4.444615     -7.791473      1.792985
  H      -3.720471     -3.276985      0.195422
  H      -5.121610     -4.154508      0.817296
  H      -2.169434     -4.869562      1.240977
  H      -3.322796     -5.793639      0.237257
  C      -1.134162      0.184975      0.702397
  C      -1.103669     -0.661614      1.742052
  C      -0.194805     -0.432282      2.919105
  C      -1.932118     -1.928154      1.758691
  C      -3.416399     -1.793826      2.238463
  C      -4.247639     -0.929268      1.278547
  C      -3.453023     -1.133278      3.614351
  C      -6.752265     -5.639552      6.798755
  C      -7.890126     -5.307378      6.162771
  C      -8.939079     -4.456350      6.822319
  C      -8.197390     -5.797599      4.766331
  C      -7.427600     -5.077161      3.611535
  C      -8.023910     -5.542986      2.263551
  C      -7.668994     -3.563576      3.674665
  C      -3.023548     -6.472046      8.744367
  C      -2.662541     -6.646228      7.464164
  C      -3.374158     -7.623917      6.574546
  C      -1.505990     -5.887848      6.863590
  C      -1.852905     -4.621754      6.005787
  C      -0.529113     -3.901965      5.674337
  C      -2.673659     -3.681166      6.880521
  H      -0.532510      1.095774      0.692718
  H      -1.752383     -0.008190     -0.176504
  H      -0.740924     -0.451187      3.874907
  H       0.334491      0.526117      2.840655
  H       0.557760     -1.236576      2.978077
  H      -1.455358     -2.666458      2.423581
  H      -1.939954     -2.359099      0.746648
  H      -3.859375      0.097320      1.268324
  H      -5.294463     -0.904348      1.613489
  H      -4.223482     -1.301822      0.245824
  H      -4.488629     -0.973741      3.941584
  H      -2.916406     -1.733666      4.364336
  H      -2.974720     -0.146982      3.561359
  H      -6.013931     -6.300672      6.344214
  H      -6.549245     -5.292422      7.815019
  H      -9.862802     -5.040882      6.965455
  H      -9.220183     -3.595727      6.194545
  H      -8.611664     -4.086913      7.803089
  H      -7.981243     -6.874183      4.692021
  H      -9.274294     -5.681761      4.568611
  H      -7.966354     -6.628470      2.113597
  H      -7.504550     -5.046650      1.430942
  H      -9.086184     -5.266473      2.217493
  H      -8.694119     -3.344534      3.348167
  H      -7.575506     -3.162633      4.688623
  H      -6.979994     -3.032919      2.999988
  H      -3.854903     -7.028545      9.182078
  H      -2.490978     -5.778217      9.398117
  H      -3.797153     -7.100957      5.704021
  H      -2.672152     -8.376454      6.178500
  H      -4.182680     -8.145838      7.102936
  H      -0.854022     -5.528227      7.673646
  H      -0.891996     -6.576228      6.261016
  H       0.191900     -4.559454      5.170947
  H      -0.057760     -3.540662      6.598846
  H      -0.723671     -3.036317      5.024260
  H      -3.662239     -4.098092      7.110308
  H      -2.156759     -3.532910      7.837986
  H      -2.758389     -2.692679      6.406218
  N      -5.226946     -3.012999      5.399164
  H      -4.591391     -2.510773      6.021946
  H      -5.825684     -3.614449      5.986791
  H      -5.837604     -2.318724      4.964054
