89
Coordinates from ORCA-job orca E -6086.375213835133
  N      -2.830553      0.631898      5.065732
  Mo     -3.506188      2.511168      5.048774
  N      -5.116823      2.288066      6.158164
  C      -4.970046      2.420332      7.587511
  C      -3.636170      1.794026      8.002872
  N      -2.564437      2.283193      7.120372
  C      -1.508049      1.276926      6.990583
  C      -2.027791      0.103362      6.144809
  C      -2.038758      3.575725      7.597927
  C      -1.992260      4.556853      6.406569
  N      -3.203214      4.347960      5.656957
  H      -1.162801     -0.456962      5.758724
  H      -2.608440     -0.598100      6.766047
  H      -0.670386      1.738947      6.458960
  H      -1.164591      0.927318      7.973897
  H      -1.888909      5.584389      6.773375
  H      -1.129402      4.323144      5.771118
  H      -2.723214      3.983387      8.346372
  H      -1.051858      3.459383      8.055644
  H      -5.781859      1.916721      8.131847
  H      -4.993801      3.483634      7.880571
  H      -3.730028      0.715039      7.871186
  H      -3.406541      2.001522      9.054627
  C      -2.626871     -0.020642      3.800302
  C      -3.579766     -1.212172      3.547668
  C      -4.595943     -0.943955      2.466752
  N      -4.587916      0.259118      1.887673
  C      -5.460619      0.474502      0.899924
  N      -6.313545     -0.364249      0.393179
  C      -6.377457     -1.593818      0.974533
  C      -7.302073     -2.529246      0.494037
  C      -7.385039     -3.774492      1.074181
  C      -6.549639     -4.116588      2.140284
  C      -5.629707     -3.220647      2.628114
  C      -5.514928     -1.938625      2.055759
  C      -4.232244      5.316890      5.856536
  C      -4.152068      6.496846      4.841103
  C      -4.314752      5.986215      3.450016
  N      -5.575398      5.779500      3.058078
  C      -5.773442      5.312787      1.833948
  N      -4.872257      5.006326      0.932072
  C      -3.569887      5.216811      1.285958
  C      -2.562965      4.942369      0.350823
  C      -1.244430      5.179113      0.667468
  C      -0.900348      5.680464      1.923910
  C      -1.866403      5.942588      2.865402
  C      -3.226034      5.719798      2.576281
  C      -6.430101      1.916254      5.707007
  C      -6.324945      0.685685      4.776266
  C      -7.308870      0.712340      3.657269
  N      -7.288528      1.828809      2.928960
  C      -8.141945      1.925098      1.911266
  N      -9.032539      1.054802      1.540636
  C      -9.084490     -0.101597      2.248250
  C     -10.022561     -1.078504      1.878182
  C     -10.096687     -2.259316      2.573384
  C      -9.238459     -2.500203      3.651856
  C      -8.314962     -1.562460      4.036972
  C      -8.213933     -0.333707      3.353487
  H      -2.810848      0.711490      3.011096
  H      -1.583571     -0.368859      3.706480
  H      -4.104680     -1.459415      4.475895
  H      -3.008130     -2.097431      3.256072
  H      -5.424100      1.462148      0.449706
  H      -7.934761     -2.237839     -0.328714
  H      -8.096511     -4.493667      0.700740
  H      -6.627345     -5.097531      2.582643
  H      -4.987083     -3.494962      3.449857
  H      -5.204311      4.831778      5.697625
  H      -4.195901      5.753498      6.866501
  H      -4.975679      7.176229      5.062905
  H      -3.205776      7.020175      4.964777
  H      -6.809704      5.166704      1.545123
  H      -2.856721      4.559758     -0.614820
  H      -0.472965      4.978659     -0.059371
  H       0.137357      5.862568      2.155502
  H      -1.579563      6.326851      3.831071
  H      -7.103365      1.688795      6.547259
  H      -6.894757      2.740133      5.139010
  H      -5.321054      0.779169      4.347728
  H      -6.398296     -0.233707      5.356727
  H      -8.082229      2.845724      1.338756
  H     -10.667186     -0.864280      1.041063
  H     -10.818312     -3.008977      2.289787
  H      -9.306476     -3.434092      4.187481
  H      -7.663055     -1.767584      4.872324
  N      -4.276114      2.727848      3.074651
  H      -5.255111      2.910919      2.828223
  H      -3.731524      2.667032      2.207241
89
Coordinates from ORCA-job orca E -6086.393974998250
  N      -2.777830      0.628072      4.972253
  Mo     -3.473436      2.515415      5.034383
  N      -5.093402      2.264409      6.117808
  C      -4.945421      2.344711      7.560428
  C      -3.616371      1.695587      7.964589
  N      -2.526957      2.216606      7.101981
  C      -1.456713      1.217201      6.933955
  C      -1.965976      0.080817      6.045098
  C      -1.994974      3.498585      7.625502
  C      -1.939896      4.512291      6.464114
  N      -3.161305      4.341987      5.704176
  H      -1.098436     -0.466863      5.641220
  H      -2.543643     -0.643029      6.650945
  H      -0.618328      1.707300      6.421302
  H      -1.110280      0.834161      7.909032
  H      -1.828162      5.531856      6.862129
  H      -1.071341      4.293447      5.823632
  H      -2.680460      3.885309      8.389088
  H      -1.006480      3.357967      8.084709
  H      -5.766317      1.828221      8.081542
  H      -4.960999      3.400016      7.896190
  H      -3.711585      0.618022      7.794710
  H      -3.390647      1.865298      9.028750
  C      -2.582738     -0.045668      3.690490
  C      -3.521685     -1.277829      3.531694
  C      -4.627799     -1.155446      2.503746
  N      -4.739068     -0.022208      1.817501
  C      -5.720642      0.065848      0.899794
  N      -6.581899     -0.862726      0.557536
  C      -6.516165     -2.033885      1.256547
  C      -7.444577     -3.054604      0.975103
  C      -7.410871     -4.236278      1.688138
  C      -6.445794     -4.437263      2.690132
  C      -5.519920     -3.456578      2.982989
  C      -5.529191     -2.231992      2.274212
  C      -4.184945      5.331050      5.944924
  C      -4.111521      6.562393      4.986501
  C      -4.329113      6.151901      3.565110
  N      -5.607256      6.003394      3.198067
  C      -5.856063      5.619594      1.938456
  N      -4.980997      5.352970      0.986884
  C      -3.664139      5.504680      1.325024
  C      -2.679643      5.255623      0.348468
  C      -1.342794      5.424798      0.651988
  C      -0.951714      5.836332      1.936955
  C      -1.894847      6.072511      2.917238
  C      -3.272118      5.913464      2.641656
  C      -6.409128      1.929179      5.598109
  C      -6.330019      0.747405      4.590532
  C      -7.289496      0.859440      3.445784
  N      -7.224225      2.007156      2.757640
  C      -8.061675      2.170303      1.719697
  N      -8.970718      1.326082      1.288241
  C      -9.057365      0.136491      1.951192
  C      -9.995909     -0.822541      1.513866
  C     -10.095238     -2.039852      2.156068
  C      -9.268855     -2.333595      3.254541
  C      -8.346478     -1.414871      3.706567
  C      -8.213581     -0.155801      3.072987
  H      -2.798234      0.656097      2.877594
  H      -1.535218     -0.380786      3.580420
  H      -3.986717     -1.477520      4.507835
  H      -2.935191     -2.170396      3.270720
  H      -5.779035      1.014879      0.359842
  H      -8.182446     -2.871470      0.199238
  H      -8.138669     -5.015648      1.474761
  H      -6.433411     -5.373711      3.243028
  H      -4.781030     -3.618503      3.763672
  H      -5.171279      4.871491      5.786912
  H      -4.123213      5.719861      6.977384
  H      -4.919762      7.246506      5.269130
  H      -3.147828      7.064681      5.120843
  H      -6.911335      5.512474      1.670048
  H      -3.007583      4.941323     -0.639291
  H      -0.589404      5.239143     -0.107956
  H       0.104713      5.967086      2.159599
  H      -1.574514      6.384622      3.907473
  H      -7.104236      1.676929      6.414148
  H      -6.841980      2.792318      5.063436
  H      -5.316131      0.824261      4.175193
  H      -6.440066     -0.204508      5.118755
  H      -7.965359      3.119507      1.183524
  H     -10.617736     -0.568324      0.659772
  H     -10.809511     -2.782693      1.810597
  H      -9.355659     -3.298119      3.748985
  H      -7.711667     -1.663215      4.553028
  N      -4.217753      2.807500      3.116321
  H      -5.196063      2.999474      2.882605
  H      -3.672176      2.775040      2.253987
89
Coordinates from ORCA-job orca E -6086.407248038364
  N      -2.714532      0.610140      5.034179
  Mo     -3.434337      2.500005      5.074652
  N      -5.078865      2.280316      6.125140
  C      -4.949770      2.398286      7.574598
  C      -3.638271      1.741972      8.022967
  N      -2.521934      2.240509      7.167908
  C      -1.442666      1.230397      7.030131
  C      -1.924925      0.082272      6.142678
  C      -1.994667      3.541628      7.678852
  C      -1.918078      4.533519      6.498659
  N      -3.136311      4.352283      5.717924
  H      -1.042050     -0.464871      5.766802
  H      -2.513247     -0.641664      6.745625
  H      -0.593787      1.718975      6.526109
  H      -1.112079      0.864090      8.021683
  H      -1.811819      5.564484      6.879229
  H      -1.032744      4.305094      5.878339
  H      -2.696054      3.942263      8.425224
  H      -1.012902      3.404100      8.163508
  H      -5.787884      1.900892      8.090251
  H      -4.960473      3.463816      7.888866
  H      -3.737930      0.657764      7.876008
  H      -3.429543      1.933879      9.091070
  C      -2.479172     -0.089217      3.748358
  C      -3.432518     -1.301360      3.519506
  C      -4.459886     -1.092643      2.418387
  N      -4.441241      0.067213      1.774809
  C      -5.347921      0.277685      0.788295
  N      -6.251160     -0.579570      0.338037
  C      -6.315684     -1.781946      0.994158
  C      -7.304267     -2.717071      0.608557
  C      -7.427337     -3.919686      1.282395
  C      -6.550388     -4.238630      2.345507
  C      -5.562795     -3.346621      2.738445
  C      -5.421917     -2.096107      2.077153
  C      -4.182796      5.345716      5.917886
  C      -4.147600      6.551378      4.924582
  C      -4.369062      6.083016      3.516544
  N      -5.644755      5.861030      3.169589
  C      -5.888434      5.399752      1.917640
  N      -5.001052      5.132659      0.965139
  C      -3.690455      5.362235      1.291659
  C      -2.689851      5.110724      0.320190
  C      -1.355804      5.348379      0.613004
  C      -0.976693      5.834214      1.885329
  C      -1.934225      6.075038      2.859689
  C      -3.309271      5.847319      2.591587
  C      -6.401453      1.938424      5.584745
  C      -6.396898      0.700467      4.637408
  C      -7.366785      0.772322      3.492779
  N      -7.255744      1.840440      2.687993
  C      -8.108716      1.943049      1.638924
  N      -9.069633      1.091591      1.298687
  C      -9.194264     -0.024589      2.087750
  C     -10.168957     -1.002696      1.760171
  C     -10.296094     -2.149344      2.530774
  C      -9.471983     -2.348554      3.660222
  C      -8.514954     -1.412238      4.006088
  C      -8.345171     -0.232231      3.232398
  H      -2.655079      0.610398      2.920611
  H      -1.428939     -0.431938      3.685734
  H      -3.966376     -1.502868      4.464662
  H      -2.862179     -2.216096      3.276982
  H      -5.294270      1.256023      0.290080
  H      -7.974220     -2.443171     -0.210663
  H      -8.219637     -4.619589      0.994405
  H      -6.660674     -5.193964      2.869691
  H      -4.896454     -3.597081      3.569679
  H      -5.162731      4.866950      5.767729
  H      -4.133827      5.755452      6.946384
  H      -4.979087      7.221014      5.193577
  H      -3.195592      7.092620      5.037754
  H      -6.945854      5.215823      1.664973
  H      -3.006825      4.735952     -0.657598
  H      -0.591267      5.158359     -0.145685
  H       0.080964      6.018826      2.101925
  H      -1.626086      6.444968      3.841948
  H      -7.099016      1.740075      6.414773
  H      -6.806371      2.792685      5.014399
  H      -5.390195      0.681538      4.193520
  H      -6.546960     -0.208948      5.233978
  H      -7.972180      2.838088      1.008017
  H     -10.791853     -0.824607      0.878366
  H     -11.026298     -2.918688      2.261838
  H      -9.581530     -3.259516      4.256993
  H      -7.873933     -1.590259      4.873397
  N      -4.130246      2.746556      3.191311
  H      -5.105840      2.931609      2.947232
  H      -3.573281      2.694647      2.342714
89
Coordinates from ORCA-job orca E -6086.415281930113
  N      -2.669037      0.629992      4.998046
  Mo     -3.460653      2.490952      5.078598
  N      -5.093570      2.237628      6.129408
  C      -4.963006      2.343704      7.577764
  C      -3.646945      1.699434      8.018869
  N      -2.535173      2.224632      7.173374
  C      -1.435740      1.239454      7.022065
  C      -1.881363      0.101380      6.107786
  C      -2.025135      3.530877      7.690320
  C      -1.944329      4.520710      6.510099
  N      -3.157062      4.352497      5.718088
  H      -0.981982     -0.418744      5.733476
  H      -2.458715     -0.648660      6.688316
  H      -0.597917      1.762051      6.534971
  H      -1.099858      0.866121      8.007959
  H      -1.837807      5.551935      6.888388
  H      -1.052798      4.295538      5.899300
  H      -2.733222      3.920539      8.435347
  H      -1.047149      3.394560      8.181492
  H      -5.797365      1.832562      8.086336
  H      -4.985860      3.404225      7.901336
  H      -3.725371      0.615572      7.859173
  H      -3.441364      1.882201      9.088239
  C      -2.418682     -0.062173      3.714342
  C      -3.353383     -1.280387      3.492372
  C      -4.385171     -1.086282      2.394667
  N      -4.366937      0.056871      1.719170
  C      -5.295466      0.247716      0.750192
  N      -6.214729     -0.611681      0.342197
  C      -6.270746     -1.796963      1.028772
  C      -7.275421     -2.733574      0.693229
  C      -7.396257     -3.914511      1.405305
  C      -6.499575     -4.211396      2.455586
  C      -5.496452     -3.318027      2.798591
  C      -5.359725     -2.090009      2.099044
  C      -4.190366      5.357357      5.910987
  C      -4.136350      6.561590      4.920190
  C      -4.382993      6.113861      3.511762
  N      -5.664684      5.921766      3.178365
  C      -5.926019      5.464621      1.930039
  N      -5.055611      5.181841      0.968628
  C      -3.738354      5.374149      1.286328
  C      -2.749005      5.084846      0.314207
  C      -1.407513      5.270076      0.604785
  C      -1.007829      5.741709      1.875253
  C      -1.954046      6.021450      2.848273
  C      -3.336216      5.847933      2.580995
  C      -6.408866      1.898384      5.577498
  C      -6.393946      0.672814      4.624694
  C      -7.364627      0.776002      3.485287
  N      -7.224224      1.848862      2.697035
  C      -8.078985      1.985400      1.654969
  N      -9.057842      1.165631      1.301183
  C      -9.204773      0.041495      2.069457
  C     -10.195053     -0.909827      1.719503
  C     -10.345901     -2.068184      2.463498
  C      -9.531658     -2.305468      3.592142
  C      -8.559473     -1.394643      3.960354
  C      -8.363522     -0.204374      3.209471
  H      -2.603772      0.632231      2.885681
  H      -1.364054     -0.388129      3.658454
  H      -3.884875     -1.480057      4.438604
  H      -2.776412     -2.192797      3.261814
  H      -5.251741      1.213497      0.233233
  H      -7.962819     -2.475294     -0.114693
  H      -8.204465     -4.609764      1.161848
  H      -6.607311     -5.147488      3.010186
  H      -4.815190     -3.550101      3.620863
  H      -5.177808      4.891452      5.771531
  H      -4.132337      5.763665      6.938676
  H      -4.948814      7.248690      5.200147
  H      -3.174480      7.082634      5.029662
  H      -6.985381      5.305425      1.689372
  H      -3.080758      4.719217     -0.660346
  H      -0.652142      5.048601     -0.153190
  H       0.054502      5.884071      2.090629
  H      -1.632274      6.377632      3.829008
  H      -7.107443      1.698109      6.406299
  H      -6.809882      2.757616      5.012394
  H      -5.389395      0.648325      4.176879
  H      -6.544608     -0.244537      5.205417
  H      -7.925148      2.881755      1.039402
  H     -10.808804     -0.704085      0.839396
  H     -11.083575     -2.819595      2.171181
  H      -9.659003     -3.226014      4.167191
  H      -7.925021     -1.603265      4.823121
  N      -4.196790      2.703366      3.239216
  H      -5.184629      2.860216      3.019408
  H      -3.659390      2.653748      2.375011
89
Coordinates from ORCA-job orca E -6086.421258595932
  N      -2.639427      0.682282      4.950469
  Mo     -3.506231      2.503176      5.079608
  N      -5.121081      2.210755      6.133520
  C      -4.983512      2.302300      7.580274
  C      -3.658991      1.672912      8.008066
  N      -2.555723      2.226992      7.173460
  C      -1.437555      1.270092      7.000384
  C      -1.849669      0.147856      6.056126
  C      -2.058611      3.535384      7.696844
  C      -1.969761      4.520590      6.517417
  N      -3.178740      4.372110      5.719120
  H      -0.934950     -0.342576      5.678960
  H      -2.412686     -0.631432      6.611471
  H      -0.614554      1.829657      6.530487
  H      -1.091479      0.886220      7.977473
  H      -1.856813      5.552274      6.892066
  H      -1.073377      4.294001      5.915404
  H      -2.770686      3.914924      8.442495
  H      -1.084165      3.396268      8.192905
  H      -5.810342      1.772574      8.082978
  H      -5.022450      3.357203      7.915647
  H      -3.711816      0.590446      7.831059
  H      -3.454087      1.842767      9.079053
  C      -2.385502      0.003944      3.667237
  C      -3.302424     -1.219104      3.447326
  C      -4.343962     -1.027507      2.360153
  N      -4.330786      0.106630      1.664376
  C      -5.279946      0.280291      0.713226
  N      -6.211330     -0.577847      0.340521
  C      -6.254271     -1.753419      1.043750
  C      -7.261711     -2.696215      0.739601
  C      -7.366054     -3.869201      1.467527
  C      -6.452348     -4.148703      2.504400
  C      -5.447635     -3.248058      2.816728
  C      -5.325661     -2.031866      2.098228
  C      -4.193990      5.388133      5.905322
  C      -4.113178      6.576648      4.905301
  C      -4.373442      6.117466      3.505407
  N      -5.657595      5.945317      3.178337
  C      -5.924618      5.463905      1.942985
  N      -5.063084      5.142714      0.989108
  C      -3.742450      5.308604      1.303376
  C      -2.757363      4.968073      0.344096
  C      -1.413681      5.118227      0.637002
  C      -1.005612      5.605173      1.897695
  C      -1.946823      5.937500      2.856235
  C      -3.331473      5.802892      2.583935
  C      -6.429542      1.864159      5.578678
  C      -6.394667      0.644890      4.628974
  C      -7.370007      0.762217      3.496222
  N      -7.220776      1.843698      2.724343
  C      -8.075459      1.994960      1.686158
  N      -9.054787      1.187959      1.321191
  C      -9.208026      0.056340      2.073284
  C     -10.202304     -0.881657      1.708062
  C     -10.364214     -2.046930      2.433891
  C      -9.553840     -2.306978      3.559301
  C      -8.576805     -1.408568      3.942191
  C      -8.372844     -0.209935      3.209320
  H      -2.585075      0.698405      2.842716
  H      -1.325722     -0.300830      3.609951
  H      -3.826731     -1.429213      4.394203
  H      -2.719929     -2.127029      3.217338
  H      -5.250437      1.238805      0.186175
  H      -7.963612     -2.450331     -0.057572
  H      -8.174075     -4.569452      1.249159
  H      -6.545949     -5.076417      3.071537
  H      -4.750631     -3.468475      3.626365
  H      -5.189873      4.935961      5.778652
  H      -4.129109      5.797011      6.930233
  H      -4.907066      7.286217      5.180368
  H      -3.142009      7.078426      5.007903
  H      -6.984345      5.324731      1.708374
  H      -3.094988      4.589682     -0.621694
  H      -0.661603      4.857505     -0.110572
  H       0.057470      5.718676      2.115689
  H      -1.620874      6.305218      3.828920
  H      -7.123943      1.660439      6.410514
  H      -6.836766      2.722829      5.017935
  H      -5.393811      0.622584      4.174686
  H      -6.532273     -0.280853      5.198192
  H      -7.920619      2.893658      1.081562
  H     -10.812492     -0.659738      0.831625
  H     -11.106964     -2.785716      2.128550
  H      -9.688539     -3.233391      4.119534
  H      -7.945737     -1.633895      4.800980
  N      -4.299997      2.671223      3.295999
  H      -5.303571      2.792410      3.105505
  H      -3.791452      2.626189      2.411909
89
Coordinates from ORCA-job orca E -6086.425531738068
  N      -2.611902      0.745794      4.906726
  Mo     -3.544889      2.523691      5.088352
  N      -5.146949      2.191692      6.143387
  C      -5.002281      2.262564      7.590772
  C      -3.669750      1.644253      8.003747
  N      -2.575597      2.228674      7.181744
  C      -1.442966      1.295095      6.986885
  C      -1.829012      0.194305      6.008990
  C      -2.094112      3.536957      7.718727
  C      -1.989795      4.522371      6.543347
  N      -3.189495      4.393204      5.729704
  H      -0.902163     -0.272062      5.630346
  H      -2.385429     -0.610219      6.534607
  H      -0.629034      1.883994      6.537681
  H      -1.091498      0.892678      7.954547
  H      -1.871249      5.553557      6.918855
  H      -1.085705      4.293026      5.953532
  H      -2.816064      3.906544      8.459887
  H      -1.125539      3.396852      8.226373
  H      -5.821316      1.714847      8.087384
  H      -5.053985      3.311583      7.942213
  H      -3.702070      0.564618      7.805059
  H      -3.466354      1.796221      9.077984
  C      -2.354138      0.089611      3.616123
  C      -3.255958     -1.142859      3.384203
  C      -4.312713     -0.963182      2.309646
  N      -4.320020      0.164638      1.602226
  C      -5.292884      0.319872      0.671279
  N      -6.226849     -0.545964      0.328355
  C      -6.244827     -1.716973      1.040271
  C      -7.248673     -2.671787      0.764676
  C      -7.325765     -3.840341      1.503576
  C      -6.388451     -4.101406      2.523202
  C      -5.387409     -3.187707      2.807784
  C      -5.292179     -1.976981      2.076882
  C      -4.191456      5.423030      5.897288
  C      -4.082604      6.594803      4.881842
  C      -4.342959      6.117661      3.487739
  N      -5.627584      5.957270      3.156404
  C      -5.893607      5.449239      1.932017
  N      -5.032011      5.092573      0.992325
  C      -3.710381      5.241287      1.311970
  C      -2.724735      4.854032      0.371349
  C      -1.381099      4.978682      0.673894
  C      -0.973070      5.486716      1.926068
  C      -1.914549      5.867267      2.865578
  C      -3.299502      5.760356      2.582189
  C      -6.457308      1.844115      5.591166
  C      -6.423143      0.628547      4.638221
  C      -7.410466      0.751515      3.514461
  N      -7.268461      1.842059      2.751241
  C      -8.130381      2.000806      1.720494
  N      -9.106003      1.192515      1.352970
  C      -9.250591      0.051756      2.094209
  C     -10.238189     -0.889166      1.720599
  C     -10.390690     -2.063557      2.433707
  C      -9.577148     -2.329442      3.554962
  C      -8.606157     -1.427562      3.946168
  C      -8.411370     -0.221123      3.224941
  H      -2.561989      0.793215      2.800994
  H      -1.290016     -0.198318      3.554374
  H      -3.771027     -1.374237      4.330997
  H      -2.661419     -2.040454      3.144447
  H      -5.284479      1.275024      0.136604
  H      -7.970179     -2.438946     -0.018642
  H      -8.131573     -4.550218      1.309929
  H      -6.460280     -5.025194      3.099548
  H      -4.671148     -3.395373      3.603551
  H      -5.193885      4.983333      5.773885
  H      -4.130593      5.841411      6.918850
  H      -4.863164      7.324774      5.141904
  H      -3.103858      7.081459      4.983443
  H      -6.954479      5.320031      1.695815
  H      -3.062295      4.458770     -0.587616
  H      -0.628178      4.682021     -0.058903
  H       0.090244      5.579151      2.151940
  H      -1.589402      6.251249      3.831925
  H      -7.145442      1.638615      6.427897
  H      -6.869767      2.704871      5.037984
  H      -5.427694      0.610613      4.173306
  H      -6.547643     -0.304578      5.199110
  H      -7.985241      2.906444      1.123400
  H     -10.851355     -0.662914      0.847480
  H     -11.127663     -2.804027      2.119478
  H      -9.703669     -3.262965      4.105030
  H      -7.970561     -1.657941      4.800297
  N      -4.381382      2.672460      3.339095
  H      -5.394211      2.759951      3.164398
  H      -3.892811      2.636394      2.442117
89
Coordinates from ORCA-job orca E -6086.429451157199
  N      -2.585419      0.816596      4.874195
  Mo     -3.583783      2.543353      5.103382
  N      -5.173154      2.170909      6.162521
  C      -5.020036      2.223956      7.610657
  C      -3.676461      1.622137      8.008253
  N      -2.595290      2.236710      7.195670
  C      -1.447787      1.327365      6.979698
  C      -1.808970      0.246547      5.970556
  C      -2.133111      3.547206      7.742060
  C      -2.011536      4.529986      6.567943
  N      -3.198705      4.412162      5.736815
  H      -0.870891     -0.196079      5.590247
  H      -2.357980     -0.581450      6.466587
  H      -0.643332      1.942498      6.549491
  H      -1.089678      0.906774      7.937157
  H      -1.889816      5.561767      6.941684
  H      -1.098951      4.296489      5.992521
  H      -2.868348      3.909020      8.473790
  H      -1.171529      3.411811      8.264807
  H      -5.827774      1.657132      8.104503
  H      -5.086843      3.267410      7.975963
  H      -3.687788      0.545715      7.790605
  H      -3.473910      1.758634      9.085050
  C      -2.335000      0.184011      3.574369
  C      -3.215978     -1.061132      3.329557
  C      -4.286924     -0.882681      2.271231
  N      -4.307547      0.248355      1.569351
  C      -5.294904      0.401306      0.652444
  N      -6.231331     -0.464846      0.321880
  C      -6.233569     -1.641204      1.025526
  C      -7.233100     -2.601153      0.755066
  C      -7.289427     -3.776954      1.483821
  C      -6.337091     -4.037591      2.489389
  C      -5.340554     -3.117808      2.769529
  C      -5.264456     -1.900773      2.046984
  C      -4.192848      5.452970      5.874589
  C      -4.056763      6.604082      4.838867
  C      -4.311292      6.100913      3.452215
  N      -5.594795      5.954290      3.109323
  C      -5.855998      5.419991      1.895345
  N      -4.990705      5.026195      0.975137
  C      -3.669843      5.155891      1.307454
  C      -2.681914      4.719655      0.391650
  C      -1.340149      4.817236      0.710952
  C      -0.936896      5.347736      1.955099
  C      -1.880717      5.778633      2.869854
  C      -3.263867      5.699662      2.569053
  C      -6.487612      1.819564      5.621877
  C      -6.454874      0.604927      4.668157
  C      -7.451311      0.727185      3.552144
  N      -7.321230      1.827367      2.799061
  C      -8.187659      1.990898      1.773876
  N      -9.156559      1.177276      1.401728
  C      -9.290018      0.027363      2.132346
  C     -10.270196     -0.918127      1.752573
  C     -10.412121     -2.099941      2.456624
  C      -9.594042     -2.368641      3.573270
  C      -8.629646     -1.462077      3.970257
  C      -8.446340     -0.248767      3.258972
  H      -2.560266      0.897933      2.772512
  H      -1.266480     -0.083508      3.498411
  H      -3.716827     -1.323617      4.275691
  H      -2.606644     -1.943047      3.069080
  H      -5.300127      1.359984      0.123668
  H      -7.966753     -2.367985     -0.016470
  H      -8.090499     -4.493102      1.294783
  H      -6.392757     -4.967040      3.058048
  H      -4.611776     -3.327579      3.552840
  H      -5.199305      5.022107      5.749791
  H      -4.143322      5.887784      6.890031
  H      -4.825984      7.353151      5.077375
  H      -3.072057      7.078497      4.939873
  H      -6.917001      5.301780      1.651317
  H      -3.016187      4.306893     -0.560910
  H      -0.584635      4.482168     -0.001847
  H       0.125078      5.417895      2.194179
  H      -1.559503      6.179518      3.830425
  H      -7.167686      1.611910      6.464541
  H      -6.907746      2.679975      5.074599
  H      -5.463037      0.594497      4.195110
  H      -6.566498     -0.333211      5.223645
  H      -8.053610      2.905247      1.186348
  H     -10.887818     -0.689509      0.883442
  H     -11.144928     -2.842086      2.137603
  H      -9.712087     -3.307330      4.116054
  H      -7.989935     -1.694219      4.820746
  N      -4.461132      2.670910      3.374259
  H      -5.479131      2.725493      3.207269
  H      -3.988621      2.641192      2.467372
89
Coordinates from ORCA-job orca E -6086.433085218252
  N      -2.566659      0.898688      4.840896
  Mo     -3.624339      2.570873      5.123342
  N      -5.200657      2.154881      6.189297
  C      -5.035448      2.187319      7.638863
  C      -3.679089      1.602021      8.016281
  N      -2.612976      2.246927      7.209140
  C      -1.452995      1.359859      6.967566
  C      -1.795662      0.303993      5.926435
  C      -2.167473      3.557855      7.766830
  C      -2.030225      4.542307      6.597130
  N      -3.205605      4.433274      5.749771
  H      -0.849294     -0.116822      5.540395
  H      -2.338427     -0.545519      6.392413
  H      -0.656335      1.997378      6.555691
  H      -1.087358      0.916858      7.912394
  H      -1.905689      5.573626      6.972661
  H      -1.110658      4.305753      6.033067
  H      -2.915664      3.911818      8.489391
  H      -1.212098      3.426800      8.303617
  H      -5.829289      1.600391      8.131877
  H      -5.115821      3.224306      8.021136
  H      -3.673217      0.529399      7.778687
  H      -3.473701      1.721031      9.095328
  C      -2.323830      0.293617      3.527967
  C      -3.190005     -0.960478      3.264601
  C      -4.276129     -0.789069      2.220375
  N      -4.315745      0.341604      1.520491
  C      -5.316010      0.486183      0.613862
  N      -6.248464     -0.388261      0.294357
  C      -6.230425     -1.566963      0.994230
  C      -7.220875     -2.538319      0.729901
  C      -7.253290     -3.717817      1.453945
  C      -6.287085     -3.969344      2.449671
  C      -5.299570     -3.037912      2.724072
  C      -5.246390     -1.816970      2.004980
  C      -4.192150      5.487185      5.854186
  C      -4.028869      6.612794      4.793299
  C      -4.273915      6.076831      3.416546
  N      -5.554755      5.939714      3.059874
  C      -5.809094      5.371164      1.859110
  N      -4.937654      4.936107      0.963204
  C      -3.619115      5.053149      1.310965
  C      -2.627327      4.566152      0.425529
  C      -1.288710      4.643757      0.764463
  C      -0.893472      5.205472      1.997953
  C      -1.841526      5.687880      2.882769
  C      -3.221416      5.629657      2.561638
  C      -6.519288      1.798750      5.659480
  C      -6.488414      0.584837      4.701786
  C      -7.492267      0.701864      3.591095
  N      -7.377056      1.808422      2.842891
  C      -8.247069      1.970845      1.820721
  N      -9.208374      1.147807      1.445411
  C      -9.328403     -0.007957      2.170587
  C     -10.299050     -0.962367      1.787991
  C     -10.427907     -2.149075      2.488493
  C      -9.605602     -2.413468      3.603263
  C      -8.649658     -1.498342      4.002778
  C      -8.479488     -0.280590      3.295739
  H      -2.559988      1.021551      2.741995
  H      -1.252532      0.039287      3.437703
  H      -3.676370     -1.252915      4.209934
  H      -2.566412     -1.826247      2.982065
  H      -5.336014      1.446269      0.086291
  H      -7.965751     -2.311872     -0.033557
  H      -8.046303     -4.444983      1.270169
  H      -6.324480     -4.902419      3.015027
  H      -4.559434     -3.242836      3.498743
  H      -5.202890      5.066646      5.727139
  H      -4.152884      5.943460      6.861092
  H      -4.788067      7.380717      5.003491
  H      -3.037759      7.075194      4.893977
  H      -6.869584      5.258523      1.605350
  H      -2.956044      4.129022     -0.518632
  H      -0.529298      4.268647      0.075692
  H       0.166534      5.258857      2.252589
  H      -1.526613      6.112641      3.835823
  H      -7.192803      1.587146      6.506229
  H      -6.946938      2.657774      5.116400
  H      -5.498203      0.584314      4.222881
  H      -6.588373     -0.357292      5.253571
  H      -8.123987      2.892125      1.239550
  H     -10.921297     -0.736712      0.920689
  H     -11.155032     -2.896713      2.167389
  H      -9.713916     -3.355479      4.143562
  H      -8.005980     -1.726829      4.852040
  N      -4.542130      2.693633      3.410138
  H      -5.562491      2.720676      3.249646
  H      -4.083522      2.673099      2.496093
89
Coordinates from ORCA-job orca E -6086.436329454466
  N      -2.537624      0.975201      4.822598
  Mo     -3.659875      2.585376      5.146712
  N      -5.223037      2.122968      6.219446
  C      -5.046823      2.139456      7.669482
  C      -3.674882      1.581039      8.030131
  N      -2.628442      2.259297      7.225988
  C      -1.451070      1.400524      6.965950
  C      -1.769480      0.362945      5.898765
  C      -2.209510      3.575285      7.790095
  C      -2.059260      4.558409      6.621412
  N      -3.219143      4.444634      5.754591
  H      -0.813490     -0.033712      5.509990
  H      -2.302711     -0.506365      6.338507
  H      -0.664982      2.061173      6.570762
  H      -1.077725      0.942135      7.900355
  H      -1.940701      5.590950      6.995724
  H      -1.130483      4.322287      6.071766
  H      -2.976061      3.920382      8.497489
  H      -1.262378      3.457513      8.345287
  H      -5.823277      1.530061      8.163014
  H      -5.146237      3.169877      8.065413
  H      -3.646146      0.511926      7.777755
  H      -3.467303      1.688531      9.110274
  C      -2.302740      0.394518      3.498882
  C      -3.150962     -0.867788      3.219736
  C      -4.251181     -0.688892      2.193264
  N      -4.303219      0.451070      1.511610
  C      -5.314311      0.606281      0.617426
  N      -6.247645     -0.266632      0.297255
  C      -6.216788     -1.456201      0.978030
  C      -7.205332     -2.428106      0.707490
  C      -7.221803     -3.620450      1.409837
  C      -6.243413     -3.883372      2.391424
  C      -5.258573     -2.951409      2.672211
  C      -5.219943     -1.717806      1.973509
  C      -4.202361      5.507018      5.814658
  C      -4.012062      6.604439      4.727645
  C      -4.245440      6.036975      3.361192
  N      -5.522116      5.917014      2.985380
  C      -5.768166      5.322140      1.795212
  N      -4.890724      4.847386      0.925398
  C      -3.576129      4.944746      1.294452
  C      -2.581190      4.406989      0.442951
  C      -1.248038      4.457352      0.807929
  C      -0.862051      5.044174      2.032755
  C      -1.813646      5.577454      2.884180
  C      -3.188161      5.545180      2.537365
  C      -6.543981      1.760584      5.700336
  C      -6.516504      0.553973      4.731159
  C      -7.532104      0.673614      3.631651
  N      -7.441012      1.793718      2.900079
  C      -8.321868      1.962297      1.888945
  N      -9.276550      1.132644      1.508719
  C      -9.375072     -0.035198      2.217544
  C     -10.339271     -0.994814      1.831547
  C     -10.448886     -2.192144      2.517773
  C      -9.612314     -2.463091      3.620412
  C      -8.661931     -1.543545      4.022917
  C      -8.511604     -0.314419      3.331006
  H      -2.554358      1.133538      2.728061
  H      -1.228777      0.157220      3.392259
  H      -3.619649     -1.191942      4.163625
  H      -2.515918     -1.715627      2.908779
  H      -5.342329      1.574167      0.104567
  H      -7.959442     -2.193079     -0.044232
  H      -8.010819     -4.350475      1.220376
  H      -6.269136     -4.826838      2.940071
  H      -4.508873     -3.166678      3.434816
  H      -5.214714      5.092375      5.681475
  H      -4.177707      5.988359      6.810177
  H      -4.762238      7.388870      4.906891
  H      -3.015694      7.055543      4.829903
  H      -6.826574      5.220767      1.526862
  H      -2.903242      3.950792     -0.494472
  H      -0.486077      4.040647      0.146723
  H       0.193866      5.075505      2.307699
  H      -1.506431      6.020364      3.831511
  H      -7.209917      1.539390      6.550469
  H      -6.981564      2.619323      5.165126
  H      -5.529873      0.567872      4.243330
  H      -6.603426     -0.394412      5.274600
  H      -8.215240      2.895700      1.323336
  H     -10.973901     -0.763778      0.974636
  H     -11.174011     -2.941304      2.195316
  H      -9.706567     -3.412755      4.150052
  H      -8.007768     -1.775952      4.863181
  N      -4.612179      2.688104      3.446574
  H      -5.633247      2.678745      3.290428
  H      -4.162104      2.675132      2.527980
89
Coordinates from ORCA-job orca E -6086.439307478992
  N      -2.528928      1.055980      4.797600
  Mo     -3.700672      2.609740      5.176752
  N      -5.248899      2.104971      6.261191
  C      -5.056890      2.102644      7.709869
  C      -3.671677      1.561189      8.046125
  N      -2.643696      2.266037      7.240529
  C      -1.457530      1.427468      6.955271
  C      -1.764898      0.415915      5.859753
  C      -2.238643      3.580961      7.814674
  C      -2.074672      4.567857      6.651375
  N      -3.224510      4.458346      5.770715
  H      -0.804566      0.036511      5.464170
  H      -2.294865     -0.468522      6.272377
  H      -0.677670      2.105182      6.577055
  H      -1.077747      0.947428      7.876102
  H      -1.955414      5.598700      7.029781
  H      -1.141333      4.329141      6.109912
  H      -3.018517      3.920234      8.510271
  H      -1.299030      3.467159      8.384120
  H      -5.817031      1.474400      8.205342
  H      -5.167488      3.125765      8.122335
  H      -3.630223      0.496309      7.777041
  H      -3.454667      1.653670      9.126018
  C      -2.300531      0.500234      3.461431
  C      -3.134633     -0.768681      3.165645
  C      -4.242203     -0.599580      2.145261
  N      -4.308048      0.536095      1.460167
  C      -5.324416      0.680391      0.568619
  N      -6.251467     -0.202077      0.256273
  C      -6.205444     -1.389131      0.939696
  C      -7.185449     -2.372117      0.674783
  C      -7.184903     -3.563609      1.377860
  C      -6.199048     -3.814719      2.355889
  C      -5.223584     -2.871975      2.631547
  C      -5.201725     -1.638680      1.931198
  C      -4.193195      5.537739      5.795053
  C      -3.977422      6.605448      4.682451
  C      -4.214918      6.011659      3.327837
  N      -5.491253      5.912914      2.946317
  C      -5.744575      5.292664      1.770420
  N      -4.873206      4.776798      0.917569
  C      -3.558873      4.851525      1.293795
  C      -2.572900      4.263370      0.465636
  C      -1.242209      4.284497      0.842382
  C      -0.849705      4.893359      2.054423
  C      -1.792603      5.476694      2.882566
  C      -3.164654      5.473168      2.524572
  C      -6.571295      1.740832      5.749781
  C      -6.544634      0.532615      4.779492
  C      -7.553415      0.649856      3.674529
  N      -7.458368      1.768306      2.940958
  C      -8.326033      1.932825      1.918430
  N      -9.273654      1.099216      1.526927
  C      -9.377893     -0.066316      2.238399
  C     -10.334175     -1.030134      1.842421
  C     -10.450229     -2.225355      2.531229
  C      -9.628587     -2.490346      3.646808
  C      -8.685969     -1.567238      4.059046
  C      -8.528435     -0.340053      3.364669
  H      -2.557893      1.251146      2.703880
  H      -1.225293      0.273172      3.344821
  H      -3.591961     -1.114645      4.107248
  H      -2.487423     -1.601122      2.837943
  H      -5.361608      1.646369      0.052888
  H      -7.945344     -2.146462     -0.074147
  H      -7.965923     -4.303250      1.192215
  H      -6.212253     -4.757990      2.905526
  H      -4.468229     -3.078631      3.391116
  H      -5.211377      5.137537      5.663326
  H      -4.168764      6.042525      6.778711
  H      -4.712388      7.409223      4.837263
  H      -2.972041      7.037812      4.779871
  H      -6.803729      5.204575      1.499311
  H      -2.900105      3.790434     -0.461683
  H      -0.487652      3.826764      0.200203
  H       0.204410      4.901182      2.338366
  H      -1.481103      5.935886      3.820772
  H      -7.236402      1.518917      6.600364
  H      -7.011285      2.597065      5.212387
  H      -5.555524      0.548828      4.295705
  H      -6.632694     -0.415219      5.323821
  H      -8.212853      2.865826      1.352936
  H     -10.958186     -0.803493      0.976436
  H     -11.170500     -2.976544      2.202123
  H      -9.728910     -3.438006      4.179291
  H      -8.042802     -1.794719      4.909242
  N      -4.691835      2.720539      3.496638
  H      -5.713935      2.691852      3.351791
  H      -4.252815      2.718312      2.572690
89
Coordinates from ORCA-job orca E -6086.442026427937
  N      -2.501821      1.132967      4.779433
  Mo     -3.732312      2.623110      5.202398
  N      -5.268062      2.068828      6.291044
  C      -5.065690      2.047055      7.737789
  C      -3.665333      1.534461      8.056124
  N      -2.659370      2.274157      7.253627
  C      -1.456159      1.465090      6.952907
  C      -1.740891      0.473630      5.832200
  C      -2.284060      3.592503      7.838113
  C      -2.107948      4.583548      6.679978
  N      -3.241170      4.467182      5.777495
  H      -0.772704      0.115888      5.435662
  H      -2.264017     -0.425866      6.219752
  H      -0.686309      2.164246      6.594132
  H      -1.071696      0.970191      7.863741
  H      -2.000994      5.613972      7.062240
  H      -1.164508      4.350082      6.153555
  H      -3.085416      3.920137      8.514650
  H      -1.356043      3.491523      8.428995
  H      -5.806738      1.393830      8.230265
  H      -5.197173      3.060353      8.168264
  H      -3.600596      0.474815      7.770733
  H      -3.443226      1.614863      9.135994
  C      -2.276721      0.601742      3.433333
  C      -3.097592     -0.671063      3.121446
  C      -4.217872     -0.496216      2.116256
  N      -4.299326      0.645690      1.444690
  C      -5.328000      0.795153      0.567678
  N      -6.255335     -0.088398      0.259562
  C      -6.193510     -1.281711      0.929682
  C      -7.173179     -2.266935      0.668205
  C      -7.155306     -3.466446      1.356219
  C      -6.153780     -3.723799      2.317076
  C      -5.179874     -2.779284      2.589508
  C      -5.174954     -1.537963      1.903403
  C      -4.199135      5.557351      5.753486
  C      -3.954765      6.591489      4.615460
  C      -4.184599      5.966700      3.273374
  N      -5.456886      5.883557      2.875632
  C      -5.706144      5.234983      1.714230
  N      -4.833266      4.680254      0.887446
  C      -3.522955      4.738660      1.281096
  C      -2.537815      4.105325      0.485541
  C      -1.213489      4.105361      0.884416
  C      -0.826231      4.738757      2.085432
  C      -1.768156      5.367095      2.880978
  C      -3.134088      5.384749      2.500795
  C      -6.590922      1.702444      5.784956
  C      -6.569633      0.503286      4.800388
  C      -7.591168      0.624499      3.707863
  N      -7.519616      1.755079      2.990735
  C      -8.398284      1.925181      1.979204
  N      -9.339673      1.086657      1.583594
  C      -9.422686     -0.090029      2.279076
  C     -10.373316     -1.057908      1.879002
  C     -10.470591     -2.263747      2.551092
  C      -9.634748     -2.536851      3.654455
  C      -8.697552     -1.610279      4.070635
  C      -8.559062     -0.371357      3.392740
  H      -2.544418      1.363769      2.690477
  H      -1.199712      0.389210      3.306311
  H      -3.538856     -1.042241      4.060771
  H      -2.443412     -1.487361      2.768104
  H      -5.374907      1.766062      0.062807
  H      -7.944869     -2.036906     -0.067122
  H      -7.933609     -4.209122      1.171821
  H      -6.154153     -4.673589      2.855284
  H      -4.412489     -2.990590      3.335498
  H      -5.219323      5.164664      5.615732
  H      -4.184704      6.088746      6.722928
  H      -4.679778      7.409376      4.739216
  H      -2.943895      7.010506      4.714313
  H      -6.762974      5.156159      1.431477
  H      -2.861059      3.613655     -0.433228
  H      -0.460207      3.610927      0.268245
  H       0.222891      4.729623      2.386875
  H      -1.461338      5.845005      3.811176
  H      -7.249909      1.468852      6.637294
  H      -7.040038      2.560216      5.257442
  H      -5.585788      0.532206      4.306151
  H      -6.646006     -0.449933      5.336931
  H      -8.300256      2.868601      1.428200
  H     -11.009274     -0.824511      1.023635
  H     -11.188995     -3.015892      2.220260
  H      -9.721543     -3.492392      4.175032
  H      -8.044266     -1.842701      4.911667
  N      -4.742458      2.728873      3.535012
  H      -5.763768      2.668091      3.392382
  H      -4.304066      2.737264      2.611045
89
Coordinates from ORCA-job orca E -6086.444335379627
  N      -2.478210      1.186217      4.782074
  Mo     -3.760597      2.620550      5.239607
  N      -5.281298      2.026740      6.339546
  C      -5.067371      1.991884      7.783281
  C      -3.652835      1.508578      8.083030
  N      -2.671003      2.276496      7.276647
  C      -1.453221      1.492452      6.966182
  C      -1.721624      0.513461      5.829991
  C      -2.324192      3.600584      7.862967
  C      -2.137770      4.590853      6.706211
  N      -3.256119      4.464624      5.784393
  H      -0.748169      0.168901      5.434792
  H      -2.242015     -0.394015      6.201915
  H      -0.692087      2.207481      6.621210
  H      -1.065200      0.988729      7.870552
  H      -2.044871      5.621898      7.089467
  H      -1.184873      4.362540      6.194304
  H      -3.146805      3.920241      8.517574
  H      -1.408797      3.514917      8.475878
  H      -5.788800      1.316540      8.275650
  H      -5.217822      2.996032      8.229170
  H      -3.566769      0.453458      7.786260
  H      -3.421499      1.583114      9.161455
  C      -2.256456      0.666743      3.431540
  C      -3.068977     -0.608557      3.108852
  C      -4.190310     -0.428736      2.106243
  N      -4.269235      0.714529      1.438208
  C      -5.294537      0.869088      0.558214
  N      -6.223229     -0.011670      0.246264
  C      -6.164399     -1.206505      0.913034
  C      -7.145099     -2.190114      0.645467
  C      -7.128575     -3.392751      1.326686
  C      -6.128581     -3.655908      2.288188
  C      -5.154852     -2.713752      2.566719
  C      -5.148358     -1.468954      1.887228
  C      -4.198083      5.568283      5.715597
  C      -3.928644      6.577619      4.560285
  C      -4.170616      5.947442      3.222609
  N      -5.443183      5.901827      2.819402
  C      -5.707991      5.254312      1.661097
  N      -4.849117      4.670197      0.839721
  C      -3.538868      4.690395      1.238300
  C      -2.571162      4.019878      0.451551
  C      -1.250600      3.974868      0.859482
  C      -0.848456      4.601897      2.058722
  C      -1.772426      5.267925      2.844337
  C      -3.135179      5.328848      2.457109
  C      -6.603956      1.662023      5.837865
  C      -6.584132      0.468396      4.845198
  C      -7.599549      0.601827      3.749343
  N      -7.518743      1.737422      3.041253
  C      -8.384961      1.917249      2.021020
  N      -9.323961      1.084262      1.609326
  C      -9.418203     -0.096378      2.297126
  C     -10.368085     -1.058195      1.880362
  C     -10.477640     -2.267680      2.543005
  C      -9.655184     -2.551190      3.654236
  C      -8.719288     -1.630978      4.086486
  C      -8.568226     -0.388404      3.418072
  H      -2.528554      1.434966      2.696732
  H      -1.178217      0.463312      3.300502
  H      -3.504772     -0.994389      4.044493
  H      -2.410190     -1.415031      2.741868
  H      -5.336530      1.842063      0.056875
  H      -7.915105     -1.956180     -0.090384
  H      -7.905974     -4.134726      1.136126
  H      -6.130674     -4.608583      2.821109
  H      -4.388459     -2.929256      3.312364
  H      -5.222298      5.186968      5.575932
  H      -4.185830      6.122410      6.672140
  H      -4.637142      7.411383      4.672251
  H      -2.909306      6.975988      4.656672
  H      -6.766130      5.201828      1.376325
  H      -2.906040      3.532228     -0.465060
  H      -0.512760      3.447229      0.252563
  H       0.197640      4.557240      2.367187
  H      -1.454717      5.740250      3.773604
  H      -7.262629      1.423455      6.689370
  H      -7.055473      2.520707      5.313689
  H      -5.598482      0.499070      4.354050
  H      -6.664676     -0.487587      5.376364
  H      -8.276200      2.864117      1.477423
  H     -10.993995     -0.816173      1.019995
  H     -11.196862     -3.013972      2.200983
  H      -9.752631     -3.509103      4.168473
  H      -8.076719     -1.870565      4.933796
  N      -4.792587      2.709963      3.586063
  H      -5.812526      2.617424      3.450925
  H      -4.357000      2.722591      2.660779
89
Coordinates from ORCA-job orca E -6086.446402094223
  N      -2.460713      1.264742      4.749149
  Mo     -3.791954      2.640214      5.254828
  N      -5.296823      1.992532      6.358913
  C      -5.070151      1.929194      7.798213
  C      -3.641395      1.474277      8.073478
  N      -2.686161      2.279750      7.271919
  C      -1.452852      1.526613      6.944177
  C      -1.705754      0.570907      5.784355
  C      -2.371961      3.602560      7.876313
  C      -2.178533      4.608441      6.735555
  N      -3.280706      4.478727      5.793084
  H      -0.728021      0.242273      5.386396
  H      -2.222905     -0.346842      6.134311
  H      -0.702174      2.261523      6.620316
  H      -1.060499      1.005807      7.836625
  H      -2.106016      5.634912      7.133809
  H      -1.214969      4.397722      6.236091
  H      -3.217090      3.902991      8.510984
  H      -1.470858      3.526893      8.511376
  H      -5.769458      1.224492      8.281812
  H      -5.241664      2.917183      8.272080
  H      -3.533264      0.428235      7.753199
  H      -3.399342      1.532046      9.150454
  C      -2.248728      0.763341      3.391590
  C      -3.048017     -0.519501      3.064233
  C      -4.181478     -0.347089      2.074712
  N      -4.274983      0.794369      1.407164
  C      -5.308784      0.942700      0.536689
  N      -6.236533      0.057458      0.236596
  C      -6.163756     -1.135658      0.903720
  C      -7.142674     -2.124831      0.647937
  C      -7.110244     -3.327342      1.327039
  C      -6.097049     -3.585611      2.276299
  C      -5.126106     -2.638513      2.543553
  C      -5.135318     -1.393412      1.865402
  C      -4.203919      5.594624      5.682434
  C      -3.900257      6.572982      4.510887
  C      -4.130081      5.913662      3.185751
  N      -5.397574      5.872377      2.767046
  C      -5.656190      5.192591      1.626780
  N      -4.794857      4.575173      0.833518
  C      -3.489281      4.593203      1.246490
  C      -2.520250      3.890246      0.490912
  C      -1.206858      3.838340      0.918255
  C      -0.812362      4.490784      2.105942
  C      -1.736945      5.190699      2.859764
  C      -3.093091      5.259932      2.452038
  C      -6.621025      1.630719      5.864689
  C      -6.605187      0.446209      4.859157
  C      -7.634260      0.581309      3.776984
  N      -7.571379      1.724174      3.079499
  C      -8.445625      1.904986      2.066863
  N      -9.378897      1.067315      1.654413
  C      -9.457388     -0.119663      2.333222
  C     -10.402444     -1.085205      1.914922
  C     -10.497255     -2.301264      2.566607
  C      -9.663887     -2.588122      3.668923
  C      -8.732750     -1.664131      4.102490
  C      -8.596914     -0.414462      3.444649
  H      -2.534046      1.537586      2.668505
  H      -1.169541      0.573535      3.249692
  H      -3.466818     -0.922139      4.000140
  H      -2.382699     -1.311632      2.679013
  H      -5.360916      1.916202      0.037751
  H      -7.922494     -1.895005     -0.078399
  H      -7.884146     -4.074358      1.144357
  H      -6.087468     -4.538525      2.807896
  H      -4.349537     -2.849592      3.279290
  H      -5.230171      5.223952      5.531488
  H      -4.201102      6.170399      6.625970
  H      -4.600508      7.416725      4.593338
  H      -2.877449      6.959721      4.614555
  H      -6.711083      5.141591      1.331801
  H      -2.849478      3.380787     -0.415315
  H      -0.469764      3.282515      0.337165
  H       0.228115      4.439406      2.430539
  H      -1.425285      5.683654      3.779933
  H      -7.272487      1.379157      6.718289
  H      -7.082641      2.491984      5.353511
  H      -5.624924      0.488898      4.357373
  H      -6.673250     -0.514344      5.383348
  H      -8.347913      2.856784      1.530611
  H     -11.036952     -0.839725      1.062251
  H     -11.214430     -3.049209      2.224984
  H      -9.750559     -3.550698      4.175616
  H      -8.082807     -1.905214      4.943398
  N      -4.831076      2.748616      3.604694
  H      -5.848762      2.633858      3.465745
  H      -4.389838      2.782654      2.681372
89
Coordinates from ORCA-job orca E -6086.448106568057
  N      -2.436153      1.316551      4.725808
  Mo     -3.812796      2.638709      5.267380
  N      -5.300521      1.944310      6.375522
  C      -5.063821      1.859183      7.811276
  C      -3.622845      1.433891      8.067937
  N      -2.693841      2.272494      7.268892
  C      -1.443994      1.550880      6.929537
  C      -1.681807      0.611241      5.753614
  C      -2.414908      3.596224      7.886837
  C      -2.220638      4.615965      6.760416
  N      -3.307746      4.479080      5.798917
  H      -0.699758      0.295265      5.355381
  H      -2.194848     -0.314606      6.088673
  H      -0.705663      2.304751      6.621929
  H      -1.045758      1.019625      7.813274
  H      -2.173658      5.638197      7.173084
  H      -1.245649      4.428875      6.272888
  H      -3.281629      3.876443      8.501578
  H      -1.528281      3.534136      8.544033
  H      -5.742108      1.127952      8.285960
  H      -5.256792      2.832498      8.308049
  H      -3.493136      0.395909      7.729989
  H      -3.370929      1.481516      9.143344
  C      -2.230710      0.820629      3.365602
  C      -3.026237     -0.466524      3.040121
  C      -4.166714     -0.303743      2.056714
  N      -4.262701      0.828577      1.375695
  C      -5.299916      0.968387      0.507545
  N      -6.232498      0.082219      0.225178
  C      -6.158613     -1.101858      0.907554
  C      -7.142141     -2.091848      0.670707
  C      -7.107234     -3.285946      1.363202
  C      -6.087580     -3.535575      2.308810
  C      -5.112725     -2.588009      2.557783
  C      -5.124151     -1.350820      1.865292
  C      -4.216839      5.603620      5.653163
  C      -3.883105      6.570072      4.479950
  C      -4.104031      5.910262      3.154155
  N      -5.366416      5.882018      2.719281
  C      -5.618615      5.200488      1.578303
  N      -4.753245      4.574065      0.796283
  C      -3.452576      4.580703      1.224910
  C      -2.481919      3.863100      0.485659
  C      -1.177423      3.791038      0.935135
  C      -0.791213      4.440333      2.127442
  C      -1.716673      5.156082      2.864663
  C      -3.065312      5.242912      2.435775
  C      -6.628245      1.590940      5.886144
  C      -6.621069      0.412997      4.871324
  C      -7.655349      0.557741      3.794995
  N      -7.590180      1.703983      3.102805
  C      -8.461722      1.891252      2.088579
  N      -9.396990      1.057603      1.672230
  C      -9.481730     -0.130790      2.349225
  C     -10.431879     -1.090540      1.928775
  C     -10.533699     -2.307519      2.578319
  C      -9.702003     -2.600817      3.680521
  C      -8.765666     -1.682657      4.115719
  C      -8.622998     -0.432453      3.460304
  H      -2.520770      1.596343      2.646151
  H      -1.151224      0.634998      3.218237
  H      -3.435556     -0.874268      3.978044
  H      -2.358707     -1.253425      2.647477
  H      -5.352216      1.937099     -0.000999
  H      -7.926543     -1.868777     -0.053127
  H      -7.883449     -4.034057      1.194087
  H      -6.076573     -4.482523      2.851321
  H      -4.330958     -2.791988      3.290375
  H      -5.242972      5.240069      5.486433
  H      -4.227928      6.191684      6.589264
  H      -4.575530      7.421497      4.550920
  H      -2.857289      6.946027      4.595166
  H      -6.671472      5.154331      1.273501
  H      -2.804322      3.354710     -0.423585
  H      -0.442125      3.217565      0.369873
  H       0.242759      4.372100      2.469874
  H      -1.412514      5.645812      3.789409
  H      -7.276581      1.333886      6.740799
  H      -7.092262      2.456392      5.384268
  H      -5.642771      0.456279      4.365311
  H      -6.688940     -0.550902      5.389660
  H      -8.358097      2.844352      1.554395
  H     -11.065352     -0.839347      1.076718
  H     -11.256301     -3.050474      2.236639
  H      -9.794864     -3.563577      4.186233
  H      -8.118016     -1.928062      4.957457
  N      -4.859516      2.747476      3.619920
  H      -5.872947      2.599800      3.478896
  H      -4.415211      2.793133      2.698616
89
Coordinates from ORCA-job orca E -6086.449587304322
  N      -2.412162      1.368391      4.699346
  Mo     -3.831779      2.637256      5.276048
  N      -5.301673      1.896342      6.384802
  C      -5.057458      1.786421      7.817013
  C      -3.605395      1.391267      8.057107
  N      -2.702441      2.262784      7.263076
  C      -1.435762      1.576006      6.911977
  C      -1.657267      0.653558      5.719721
  C      -2.458417      3.585725      7.896736
  C      -2.265112      4.622581      6.787916
  N      -3.338236      4.480986      5.809737
  H      -0.670408      0.351226      5.322030
  H      -2.164109     -0.281569      6.039075
  H      -0.712657      2.350699      6.621167
  H      -1.029718      1.034892      7.786014
  H      -2.245578      5.638344      7.218492
  H      -1.279530      4.463860      6.311029
  H      -3.344807      3.844371      8.492768
  H      -1.586970      3.534695      8.575273
  H      -5.714269      1.027000      8.277967
  H      -5.274239      2.742016      8.338327
  H      -3.454521      0.362394      7.701053
  H      -3.344248      1.428553      9.130677
  C      -2.214739      0.873160      3.338792
  C      -3.001653     -0.420750      3.019533
  C      -4.145131     -0.268545      2.039272
  N      -4.234871      0.851446      1.338789
  C      -5.273549      0.983895      0.471014
  N      -6.215275      0.101460      0.209126
  C      -6.148010     -1.070618      0.911919
  C      -7.140923     -2.056494      0.696441
  C      -7.110716     -3.239184      1.406848
  C      -6.087368     -3.481959      2.351045
  C      -5.104504     -2.538455      2.579765
  C      -5.110592     -1.312248      1.868162
  C      -4.229805      5.614939      5.631710
  C      -3.861756      6.568651      4.458988
  C      -4.079452      5.905991      3.135009
  N      -5.337398      5.894044      2.688091
  C      -5.588215      5.211558      1.547287
  N      -4.722985      4.575016      0.773500
  C      -3.426286      4.567547      1.213263
  C      -2.456010      3.842565      0.481215
  C      -1.157592      3.754818      0.943875
  C      -0.775554      4.396001      2.142190
  C      -1.699983      5.120324      2.871718
  C      -3.042862      5.223416      2.428537
  C      -6.634163      1.555890      5.900524
  C      -6.636160      0.381387      4.881194
  C      -7.671060      0.532519      3.806444
  N      -7.595265      1.676213      3.111081
  C      -8.460099      1.864863      2.091053
  N      -9.399659      1.036478      1.674002
  C      -9.498832     -0.147031      2.358058
  C     -10.456750     -1.099613      1.939816
  C     -10.572973     -2.311986      2.596275
  C      -9.747406     -2.607079      3.702504
  C      -8.803308     -1.695545      4.135441
  C      -8.646640     -0.450433      3.473696
  H      -2.512934      1.645780      2.619902
  H      -1.135010      0.693485      3.185325
  H      -3.402526     -0.831500      3.959588
  H      -2.330170     -1.202852      2.623731
  H      -5.318013      1.943420     -0.054946
  H      -7.927656     -1.838776     -0.026454
  H      -7.892567     -3.984620      1.253374
  H      -6.080616     -4.420428      2.908037
  H      -4.320178     -2.736727      3.311100
  H      -5.255712      5.261060      5.446386
  H      -4.255399      6.213593      6.560987
  H      -4.542021      7.430835      4.519009
  H      -2.832012      6.930156      4.583987
  H      -6.638995      5.176693      1.234527
  H      -2.774559      3.339558     -0.432249
  H      -0.424637      3.171372      0.386026
  H       0.253656      4.313815      2.495501
  H      -1.399775      5.604702      3.800501
  H      -7.280901      1.297344      6.756195
  H      -7.096242      2.426407      5.405910
  H      -5.658273      0.419395      4.374173
  H      -6.708155     -0.583458      5.397306
  H      -8.345528      2.813667      1.551806
  H     -11.085482     -0.846595      1.084837
  H     -11.303651     -3.048619      2.258252
  H      -9.851914     -3.565587      4.213987
  H      -8.161460     -1.941910      4.981307
  N      -4.885560      2.748456      3.628429
  H      -5.894705      2.574601      3.485001
  H      -4.440347      2.811850      2.708447
89
Coordinates from ORCA-job orca E -6086.450949733357
  N      -2.383878      1.413026      4.673818
  Mo     -3.843927      2.629558      5.278560
  N      -5.298928      1.844304      6.380880
  C      -5.051991      1.709292      7.810578
  C      -3.590160      1.345307      8.040626
  N      -2.710376      2.248653      7.255659
  C      -1.426527      1.597995      6.896650
  C      -1.627887      0.692293      5.689026
  C      -2.501421      3.569614      7.905593
  C      -2.310343      4.624459      6.815169
  N      -3.369232      4.477901      5.821350
  H      -0.634892      0.405489      5.294122
  H      -2.125828     -0.253227      5.992518
  H      -0.719960      2.393634      6.622596
  H      -1.012266      1.049204      7.761977
  H      -2.319410      5.632471      7.264302
  H      -1.314658      4.496106      6.349522
  H      -3.405567      3.805931      8.484248
  H      -1.644615      3.528064      8.603550
  H      -5.688172      0.922018      8.253906
  H      -5.294772      2.645842      8.354952
  H      -3.417254      0.325836      7.667944
  H      -3.324249      1.373010      9.113276
  C      -2.191665      0.916045      3.314215
  C      -2.976549     -0.381144      3.001967
  C      -4.121279     -0.237962      2.022339
  N      -4.197088      0.863537      1.292814
  C      -5.236584      0.987946      0.424112
  N      -6.193290      0.114095      0.189949
  C      -6.139394     -1.040290      0.921647
  C      -7.146895     -2.017789      0.734017
  C      -7.128227     -3.182893      1.471573
  C      -6.103110     -3.417086      2.417096
  C      -5.107466     -2.481892      2.619025
  C      -5.101059     -1.272960      1.878749
  C      -4.246522      5.618196      5.615255
  C      -3.847249      6.565425      4.447168
  C      -4.056371      5.904088      3.121397
  N      -5.309481      5.899089      2.662317
  C      -5.552614      5.218713      1.518010
  N      -4.681774      4.583141      0.749756
  C      -3.389115      4.571794      1.200388
  C      -2.412276      3.852738      0.471193
  C      -1.118859      3.760037      0.946052
  C      -0.747444      4.390347      2.153856
  C      -1.677949      5.109905      2.880146
  C      -3.015911      5.218615      2.423601
  C      -6.635741      1.517419      5.898161
  C      -6.648803      0.344128      4.876619
  C      -7.686777      0.499102      3.805330
  N      -7.600969      1.637620      3.102085
  C      -8.464669      1.826977      2.080924
  N      -9.413800      1.005548      1.671282
  C      -9.526886     -0.170449      2.366618
  C     -10.498306     -1.113719      1.959524
  C     -10.628984     -2.318907      2.627456
  C      -9.804050     -2.614927      3.733741
  C      -8.846567     -1.711792      4.156162
  C      -8.675276     -0.474665      3.482941
  H      -2.493701      1.685374      2.593942
  H      -1.112190      0.737361      3.156553
  H      -3.373272     -0.789640      3.944641
  H      -2.304135     -1.163323      2.607534
  H      -5.268320      1.933718     -0.127014
  H      -7.934505     -1.806713      0.009978
  H      -7.919768     -3.922219      1.339315
  H      -6.106091     -4.342297      2.995964
  H      -4.322257     -2.673237      3.351372
  H      -5.270214      5.270870      5.408206
  H      -4.289962      6.222968      6.540166
  H      -4.518586      7.435413      4.497987
  H      -2.815679      6.916701      4.584916
  H      -6.601072      5.186426      1.197488
  H      -2.722286      3.356551     -0.449002
  H      -0.382208      3.177549      0.392045
  H       0.277817      4.302276      2.517255
  H      -1.386769      5.585952      3.816149
  H      -7.282838      1.260691      6.754198
  H      -7.092457      2.393154      5.407977
  H      -5.671837      0.375250      4.366991
  H      -6.724840     -0.620462      5.393016
  H      -8.340292      2.769779      1.533261
  H     -11.126748     -0.859714      1.104506
  H     -11.372312     -3.047424      2.299352
  H      -9.920277     -3.567072      4.254809
  H      -8.206482     -1.958556      5.003362
  N      -4.897783      2.740144      3.625750
  H      -5.901315      2.541142      3.476186
  H      -4.449950      2.819685      2.708307
89
Coordinates from ORCA-job orca E -6086.452307326597
  N      -2.349712      1.463295      4.643677
  Mo     -3.854195      2.617175      5.276405
  N      -5.289489      1.783059      6.371018
  C      -5.039583      1.624797      7.798254
  C      -3.567379      1.299092      8.019536
  N      -2.715308      2.236903      7.244158
  C      -1.412093      1.629603      6.877477
  C      -1.588220      0.740993      5.654180
  C      -2.547380      3.555838      7.910070
  C      -2.365174      4.629530      6.838051
  N      -3.409650      4.473764      5.829805
  H      -0.587436      0.476025      5.262532
  H      -2.070457     -0.218222      5.940763
  H      -0.727400      2.449529      6.620064
  H      -0.985562      1.076062      7.733748
  H      -2.407790      5.628494      7.305730
  H      -1.359780      4.537325      6.384069
  H      -3.468668      3.764945      8.472208
  H      -1.704539      3.526575      8.625814
  H      -5.650858      0.807796      8.222915
  H      -5.312671      2.540184      8.364168
  H      -3.368175      0.290255      7.631201
  H      -3.297185      1.319320      9.091219
  C      -2.159957      0.966220      3.284999
  C      -2.943793     -0.332817      2.977729
  C      -4.087508     -0.193907      1.996828
  N      -4.139686      0.884565      1.232217
  C      -5.179854      1.005884      0.363377
  N      -6.159726      0.149537      0.162062
  C      -6.127584     -0.983488      0.926636
  C      -7.158080     -1.943717      0.771707
  C      -7.160068     -3.086725      1.541241
  C      -6.134158     -3.317220      2.488130
  C      -5.118055     -2.399018      2.658600
  C      -5.089794     -1.211874      1.884713
  C      -4.277163      5.615927      5.596329
  C      -3.848123      6.557015      4.433540
  C      -4.042544      5.892287      3.107214
  N      -5.288269      5.891719      2.630225
  C      -5.517470      5.209853      1.482950
  N      -4.636960      4.573083      0.726957
  C      -3.350931      4.559651      1.195098
  C      -2.363480      3.844246      0.476321
  C      -1.077454      3.749408      0.969989
  C      -0.723397      4.373269      2.186905
  C      -1.664055      5.089956      2.902656
  C      -2.994500      5.202183      2.425513
  C      -6.630050      1.465228      5.890809
  C      -6.654532      0.290047      4.870891
  C      -7.693529      0.449337      3.801527
  N      -7.588191      1.577184      3.083180
  C      -8.450608      1.768592      2.060959
  N      -9.417358      0.960707      1.664852
  C      -9.553589     -0.202273      2.378357
  C     -10.546904     -1.129428      1.988963
  C     -10.701047     -2.322474      2.674885
  C      -9.877719     -2.620570      3.781443
  C      -8.898486     -1.732169      4.187163
  C      -8.703162     -0.508563      3.495675
  H      -2.466513      1.732406      2.563460
  H      -1.080608      0.789557      3.123685
  H      -3.339405     -0.737703      3.922319
  H      -2.271613     -1.116938      2.586441
  H      -5.192015      1.934238     -0.217260
  H      -7.945736     -1.735563      0.046708
  H      -7.967786     -3.812734      1.434519
  H      -6.154189     -4.225626      3.092844
  H      -4.333346     -2.586924      3.392519
  H      -5.296415      5.271111      5.365622
  H      -4.342042      6.226025      6.516732
  H      -4.512922      7.432973      4.471247
  H      -2.816555      6.901756      4.586130
  H      -6.561752      5.179376      1.149219
  H      -2.659922      3.351476     -0.450335
  H      -0.333538      3.167139      0.425344
  H       0.296041      4.281154      2.565643
  H      -1.387424      5.560484      3.845954
  H      -7.277066      1.212515      6.748123
  H      -7.081403      2.344522      5.402367
  H      -5.677720      0.309570      4.359743
  H      -6.738332     -0.672173      5.390947
  H      -8.309575      2.700787      1.499349
  H     -11.174153     -0.873853      1.133376
  H     -11.463362     -3.037657      2.361067
  H     -10.012633     -3.562202      4.317311
  H      -8.261054     -1.980246      5.036121
  N      -4.909657      2.713534      3.618839
  H      -5.906068      2.485245      3.465156
  H      -4.462393      2.808921      2.702621
89
Coordinates from ORCA-job orca E -6086.453621726890
  N      -2.317575      1.493435      4.623353
  Mo     -3.855907      2.596977      5.271047
  N      -5.278259      1.730593      6.354907
  C      -5.031560      1.555410      7.781522
  C      -3.552449      1.260680      8.002288
  N      -2.720107      2.222951      7.236235
  C      -1.401233      1.651259      6.868531
  C      -1.552779      0.774436      5.634625
  C      -2.587493      3.539701      7.913411
  C      -2.412675      4.628230      6.856566
  N      -3.443639      4.463007      5.837046
  H      -0.544643      0.527283      5.249582
  H      -2.020451     -0.195735      5.907926
  H      -0.735692      2.490676      6.623966
  H      -0.965035      1.097106      7.719194
  H      -2.486096      5.618044      7.340122
  H      -1.399292      4.569505      6.414518
  H      -3.522844      3.725720      8.460106
  H      -1.757313      3.520567      8.643955
  H      -5.623554      0.715710      8.188873
  H      -5.331579      2.453925      8.360287
  H      -3.331906      0.259781      7.605062
  H      -3.283009      1.277498      9.073903
  C      -2.130189      0.989903      3.268413
  C      -2.918422     -0.307961      2.966939
  C      -4.054899     -0.168100      1.977921
  N      -4.071764      0.883933      1.172421
  C      -5.105507      1.003140      0.297485
  N      -6.109412      0.168243      0.121935
  C      -6.107706     -0.941613      0.919737
  C      -7.160060     -1.882282      0.787029
  C      -7.192725     -3.001293      1.589343
  C      -6.176715     -3.228206      2.547777
  C      -5.140849     -2.328766      2.696946
  C      -5.081333     -1.165123      1.889995
  C      -4.306378      5.603069      5.584394
  C      -3.855994      6.545676      4.430636
  C      -4.035419      5.884320      3.100043
  N      -5.274232      5.882961      2.608658
  C      -5.486311      5.209054      1.452349
  N      -4.593261      4.585960      0.701029
  C      -3.312862      4.576484      1.182551
  C      -2.310397      3.882216      0.463139
  C      -1.028979      3.794633      0.969069
  C      -0.694701      4.403321      2.199734
  C      -1.649952      5.099036      2.915792
  C      -2.975623      5.205405      2.424919
  C      -6.622143      1.423209      5.875660
  C      -6.660963      0.239544      4.866436
  C      -7.701630      0.401025      3.800048
  N      -7.574624      1.512775      3.060679
  C      -8.439225      1.705266      2.040650
  N      -9.427267      0.913876      1.665191
  C      -9.587289     -0.231574      2.401471
  C     -10.601784     -1.142824      2.032743
  C     -10.777096     -2.321528      2.738737
  C      -9.955605     -2.618261      3.846093
  C      -8.954864     -1.744259      4.231972
  C      -8.736399     -0.537506      3.518651
  H      -2.438133      1.751450      2.542304
  H      -1.051657      0.811401      3.105832
  H      -3.319541     -0.703687      3.912758
  H      -2.247920     -1.098218      2.585301
  H      -5.092310      1.910394     -0.314949
  H      -7.939583     -1.676941      0.052762
  H      -8.017363     -3.710710      1.501737
  H      -6.221001     -4.117843      3.178285
  H      -4.364510     -2.514242      3.440066
  H      -5.319645      5.256585      5.331359
  H      -4.392628      6.212986      6.503062
  H      -4.517000      7.424785      4.460903
  H      -2.825796      6.887120      4.596682
  H      -6.526396      5.175397      1.107563
  H      -2.591672      3.399442     -0.473279
  H      -0.272914      3.227571      0.424898
  H       0.321226      4.314806      2.588049
  H      -1.389348      5.557265      3.869418
  H      -7.272098      1.183789      6.734380
  H      -7.061381      2.304920      5.381227
  H      -5.685285      0.240507      4.352821
  H      -6.755872     -0.715825      5.397110
  H      -8.281198      2.622966      1.460746
  H     -11.227482     -0.889233      1.175664
  H     -11.555002     -3.025045      2.438417
  H     -10.106968     -3.547814      4.398139
  H      -8.318141     -1.992094      5.081340
  N      -4.900062      2.667003      3.601193
  H      -5.888973      2.412290      3.439251
  H      -4.449322      2.765618      2.686863
89
Coordinates from ORCA-job orca E -6086.454809566333
  N      -2.303253      1.537952      4.599612
  Mo     -3.868057      2.585303      5.269083
  N      -5.269868      1.693397      6.351350
  C      -5.016923      1.503440      7.776256
  C      -3.530482      1.241853      7.989650
  N      -2.724391      2.228140      7.227665
  C      -1.392240      1.694272      6.850232
  C      -1.522830      0.827173      5.606870
  C      -2.625391      3.543185      7.913540
  C      -2.469116      4.642829      6.865371
  N      -3.491068      4.462512      5.840311
  H      -0.508777      0.605363      5.221837
  H      -1.967004     -0.156812      5.868509
  H      -0.751328      2.554556      6.612111
  H      -0.937174      1.143922      7.693053
  H      -2.570725      5.625261      7.359391
  H      -1.450841      4.616363      6.431154
  H      -3.568893      3.704407      8.453704
  H      -1.800219      3.536790      8.649668
  H      -5.585850      0.642056      8.170592
  H      -5.340974      2.385826      8.365794
  H      -3.289095      0.248629      7.585159
  H      -3.257415      1.257699      9.060125
  C      -2.123557      1.035568      3.244108
  C      -2.911940     -0.261085      2.934592
  C      -4.041882     -0.107365      1.940640
  N      -4.027613      0.935264      1.116269
  C      -5.055131      1.066432      0.239735
  N      -6.078537      0.251614      0.069494
  C      -6.101039     -0.853105      0.874688
  C      -7.167894     -1.777414      0.740045
  C      -7.226264     -2.891954      1.548772
  C      -6.221737     -3.129910      2.515105
  C      -5.171912     -2.245315      2.666678
  C      -5.086474     -1.086378      1.854450
  C      -4.350580      5.596274      5.558506
  C      -3.870951      6.527268      4.407672
  C      -4.020267      5.849171      3.080627
  N      -5.245433      5.843676      2.559898
  C      -5.428704      5.160154      1.402903
  N      -4.517280      4.534102      0.679086
  C      -3.249334      4.529308      1.190705
  C      -2.227630      3.836312      0.496631
  C      -0.958404      3.757257      1.032314
  C      -0.656393      4.370089      2.269909
  C      -1.630242      5.063603      2.960972
  C      -2.943563      5.164864      2.437402
  C      -6.618576      1.392371      5.881295
  C      -6.668073      0.196697      4.888911
  C      -7.712243      0.352660      3.826517
  N      -7.571664      1.445162      3.062913
  C      -8.442125      1.631595      2.046926
  N      -9.444921      0.848453      1.694721
  C      -9.617639     -0.278512      2.455400
  C     -10.642544     -1.185451      2.107222
  C     -10.826085     -2.349646      2.834594
  C     -10.005553     -2.633696      3.945294
  C      -8.994377     -1.762801      4.311197
  C      -8.765340     -0.573177      3.573859
  H      -2.438681      1.798386      2.521416
  H      -1.045703      0.862563      3.074558
  H      -3.315590     -0.662169      3.876640
  H      -2.238938     -1.048167      2.550574
  H      -5.023525      1.965605     -0.383413
  H      -7.938857     -1.562747     -0.000433
  H      -8.064071     -3.586182      1.462733
  H      -6.285410     -4.015164      3.150015
  H      -4.404697     -2.440983      3.416448
  H      -5.356156      5.245390      5.281114
  H      -4.462227      6.211894      6.470324
  H      -4.526552      7.410787      4.410373
  H      -2.843654      6.866132      4.593833
  H      -6.459695      5.124010      1.033240
  H      -2.484791      3.349260     -0.444312
  H      -0.185645      3.194335      0.507477
  H       0.350437      4.286072      2.681798
  H      -1.395129      5.523929      3.920018
  H      -7.267777      1.169309      6.744762
  H      -7.047473      2.272826      5.376673
  H      -5.695836      0.183045      4.370732
  H      -6.767225     -0.750327      5.433215
  H      -8.275843      2.534561      1.447482
  H     -11.267554     -0.943539      1.246493
  H     -11.608557     -3.052212      2.545120
  H     -10.162812     -3.551695      4.514353
  H      -8.355996     -2.002088      5.161610
  N      -4.902881      2.607300      3.593077
  H      -5.886456      2.331047      3.429240
  H      -4.454534      2.707780      2.677264
89
Coordinates from ORCA-job orca E -6086.455818396516
  N      -2.288930      1.544631      4.595736
  Mo     -3.865831      2.570986      5.263902
  N      -5.267310      1.665300      6.334420
  C      -5.016569      1.457921      7.757459
  C      -3.527595      1.211504      7.974134
  N      -2.729923      2.213405      7.223917
  C      -1.390375      1.696851      6.849240
  C      -1.506165      0.835597      5.601551
  C      -2.650944      3.522462      7.921533
  C      -2.501032      4.634017      6.886051
  N      -3.510839      4.445152      5.851829
  H      -0.488689      0.624193      5.220255
  H      -1.944596     -0.152615      5.855680
  H      -0.757602      2.565580      6.620489
  H      -0.932576      1.144930      7.689453
  H      -2.623066      5.608807      7.390577
  H      -1.478339      4.628979      6.460996
  H      -3.601755      3.668227      8.452842
  H      -1.832268      3.519357      8.664785
  H      -5.575834      0.584032      8.137709
  H      -5.353978      2.328792      8.356448
  H      -3.274202      0.224333      7.562400
  H      -3.259342      1.220866      9.045985
  C      -2.114826      1.033839      3.242432
  C      -2.909705     -0.262374      2.938864
  C      -4.027049     -0.115089      1.931711
  N      -3.975563      0.897644      1.070108
  C      -4.986374      1.022146      0.176625
  N      -6.026940      0.224759      0.018616
  C      -6.083913     -0.853638      0.857665
  C      -7.164874     -1.761884      0.733704
  C      -7.257103     -2.852535      1.573574
  C      -6.273011     -3.079580      2.561703
  C      -5.209201     -2.208821      2.704572
  C      -5.089202     -1.075287      1.860998
  C      -4.370366      5.575235      5.556540
  C      -3.879126      6.514883      4.418519
  C      -4.009942      5.851390      3.081823
  N      -5.230860      5.840883      2.551680
  C      -5.397152      5.178991      1.379683
  N      -4.471598      4.583657      0.649252
  C      -3.206926      4.585238      1.169193
  C      -2.169699      3.928619      0.462818
  C      -0.902251      3.858536      1.002919
  C      -0.618461      4.442235      2.258757
  C      -1.607380      5.100106      2.962047
  C      -2.919308      5.193754      2.433370
  C      -6.618262      1.378459      5.863086
  C      -6.675177      0.171387      4.884226
  C      -7.721200      0.320957      3.822278
  N      -7.573770      1.398603      3.040338
  C      -8.451016      1.583243      2.030310
  N      -9.466977      0.807657      1.700248
  C      -9.647508     -0.304852      2.480138
  C     -10.687857     -1.203770      2.155778
  C     -10.879921     -2.352875      2.903523
  C     -10.053250     -2.630360      4.011616
  C      -9.027972     -1.767187      4.354128
  C      -8.790204     -0.593059      3.595649
  H      -2.423213      1.796240      2.516420
  H      -1.038155      0.853646      3.073661
  H      -3.322911     -0.651976      3.881277
  H      -2.234643     -1.053506      2.567011
  H      -4.927434      1.899646     -0.475043
  H      -7.919848     -1.554653     -0.025233
  H      -8.106677     -3.533384      1.494381
  H      -6.362222     -3.945138      3.220211
  H      -4.457653     -2.396917      3.471952
  H      -5.368753      5.218378      5.261339
  H      -4.500445      6.187197      6.468428
  H      -4.536011      7.397245      4.419908
  H      -2.854228      6.852797      4.620031
  H      -6.425325      5.135353      1.001915
  H      -2.413383      3.462255     -0.491840
  H      -0.115897      3.325519      0.467271
  H       0.387601      4.364642      2.673888
  H      -1.385205      5.538601      3.934357
  H      -7.275148      1.175251      6.725725
  H      -7.032881      2.257121      5.344080
  H      -5.704169      0.150034      4.365801
  H      -6.778070     -0.769274      5.438572
  H      -8.278608      2.475848      1.416649
  H     -11.317266     -0.967914      1.296617
  H     -11.673260     -3.050261      2.631383
  H     -10.217664     -3.536356      4.597430
  H      -8.385956     -2.000139      5.203695
  N      -4.872313      2.584859      3.568619
  H      -5.855582      2.314912      3.389183
  H      -4.408617      2.680916      2.659945
89
Coordinates from ORCA-job orca E -6086.456603734462
  N      -2.303728      1.573665      4.578163
  Mo     -3.884419      2.580873      5.261342
  N      -5.271679      1.660913      6.339076
  C      -5.004466      1.433547      7.755706
  C      -3.511095      1.202664      7.956465
  N      -2.731984      2.222668      7.210796
  C      -1.388804      1.725868      6.823252
  C      -1.501450      0.869996      5.571717
  C      -2.664067      3.525795      7.919888
  C      -2.532302      4.646635      6.891698
  N      -3.541323      4.449151      5.858190
  H      -0.484126      0.676839      5.180813
  H      -1.924609     -0.125618      5.822742
  H      -0.768678      2.604118      6.596228
  H      -0.917599      1.174238      7.656425
  H      -2.665181      5.617015      7.402069
  H      -1.510317      4.656075      6.464393
  H      -3.613694      3.657248      8.456992
  H      -1.840913      3.526412      8.658201
  H      -5.549672      0.547133      8.127635
  H      -5.346367      2.291491      8.371081
  H      -3.249079      0.223195      7.532111
  H      -3.234922      1.203302      9.026496
  C      -2.136247      1.067937      3.221327
  C      -2.918797     -0.236147      2.915001
  C      -4.033635     -0.103109      1.905136
  N      -3.981275      0.903550      1.036654
  C      -4.986810      1.017803      0.136879
  N      -6.023042      0.214243     -0.022316
  C      -6.077513     -0.861384      0.820854
  C      -7.149900     -1.777795      0.693882
  C      -7.237531     -2.869097      1.534841
  C      -6.255453     -3.087564      2.525938
  C      -5.200129     -2.206777      2.674057
  C      -5.086507     -1.071813      1.831691
  C      -4.395255      5.579016      5.544410
  C      -3.878953      6.509798      4.411839
  C      -3.985555      5.838237      3.077194
  N      -5.195485      5.834983      2.521377
  C      -5.342311      5.173590      1.347145
  N      -4.405981      4.570188      0.637530
  C      -3.152428      4.562304      1.184511
  C      -2.105191      3.900338      0.498776
  C      -0.848644      3.824687      1.062845
  C      -0.587061      4.405857      2.324524
  C      -1.586026      5.068833      3.008390
  C      -2.886556      5.170935      2.453517
  C      -6.628201      1.385675      5.879707
  C      -6.692380      0.180916      4.898298
  C      -7.750411      0.330437      3.847698
  N      -7.618469      1.412040      3.068910
  C      -8.509202      1.597344      2.070891
  N      -9.522840      0.815167      1.748610
  C      -9.686904     -0.302181      2.524912
  C     -10.721224     -1.210625      2.204305
  C     -10.894306     -2.365266      2.947098
  C     -10.055742     -2.640039      4.047662
  C      -9.037029     -1.768306      4.385791
  C      -8.817647     -0.588187      3.631052
  H      -2.449267      1.832886      2.500538
  H      -1.059069      0.895628      3.046555
  H      -3.328148     -0.633547      3.855656
  H      -2.230908     -1.014772      2.540157
  H      -4.928477      1.891569     -0.520310
  H      -7.903012     -1.576999     -0.068826
  H      -8.082407     -3.555782      1.452667
  H      -6.339321     -3.953875      3.184192
  H      -4.450829     -2.388067      3.445396
  H      -5.388884      5.221977      5.234097
  H      -4.538940      6.195839      6.451217
  H      -4.529608      7.396560      4.393826
  H      -2.855440      6.840879      4.632591
  H      -6.362121      5.139868      0.945897
  H      -2.332644      3.436014     -0.460965
  H      -0.053384      3.291272      0.540961
  H       0.410359      4.323069      2.759362
  H      -1.380558      5.505243      3.985552
  H      -7.282640      1.189296      6.745932
  H      -7.040048      2.265012      5.359876
  H      -5.726974      0.170985      4.370039
  H      -6.783253     -0.764020      5.447411
  H      -8.350324      2.494778      1.460713
  H     -11.359526     -0.977286      1.350940
  H     -11.680509     -3.071414      2.676602
  H     -10.206092     -3.550715      4.630049
  H      -8.385507     -1.998572      5.229010
  N      -4.900196      2.584229      3.568476
  H      -5.886111      2.320832      3.396079
  H      -4.440695      2.675461      2.657405
89
Coordinates from ORCA-job orca E -6086.457251758365
  N      -2.298238      1.592756      4.570331
  Mo     -3.893577      2.574526      5.256258
  N      -5.270878      1.639928      6.333519
  C      -4.997986      1.395766      7.745515
  C      -3.502037      1.185194      7.941177
  N      -2.738582      2.224838      7.204643
  C      -1.386080      1.752235      6.815135
  C      -1.480512      0.899369      5.559598
  C      -2.691920      3.523422      7.925195
  C      -2.580765      4.653174      6.903473
  N      -3.582256      4.439795      5.864253
  H      -0.459251      0.730931      5.167975
  H      -1.884385     -0.105992      5.804357
  H      -0.781343      2.642973      6.594027
  H      -0.905612      1.205774      7.647001
  H      -2.735380      5.618703      7.417506
  H      -1.556601      4.684463      6.481030
  H      -3.643246      3.635388      8.464043
  H      -1.867385      3.531830      8.662002
  H      -5.528424      0.494698      8.104299
  H      -5.352646      2.239404      8.374033
  H      -3.224515      0.213954      7.507617
  H      -3.225530      1.179847      9.011329
  C      -2.125929      1.091774      3.210263
  C      -2.910681     -0.207825      2.894611
  C      -4.014339     -0.063184      1.876102
  N      -3.928939      0.934148      0.998489
  C      -4.926318      1.070065      0.093192
  N      -5.988105      0.296477     -0.061606
  C      -6.074602     -0.771791      0.789889
  C      -7.169928     -1.659690      0.666541
  C      -7.285772     -2.749172      1.509413
  C      -6.310898     -2.989924      2.501426
  C      -5.234856     -2.133123      2.650700
  C      -5.090865     -1.003804      1.805495
  C      -4.429773      5.568849      5.524324
  C      -3.886393      6.489992      4.398154
  C      -3.968975      5.814748      3.063517
  N      -5.170405      5.810781      2.489059
  C      -5.299779      5.148366      1.312983
  N      -4.352532      4.543635      0.618221
  C      -3.107686      4.536239      1.185034
  C      -2.048600      3.877616      0.513623
  C      -0.799068      3.806304      1.094112
  C      -0.557474      4.385404      2.361362
  C      -1.568244      5.044606      3.031934
  C      -2.861026      5.145773      2.457992
  C      -6.629159      1.372867      5.874183
  C      -6.697647      0.150712      4.913895
  C      -7.753952      0.284878      3.858321
  N      -7.614340      1.344173      3.052513
  C      -8.506316      1.510252      2.050393
  N      -9.525830      0.725814      1.749288
  C      -9.697077     -0.368733      2.554989
  C     -10.742355     -1.276613      2.262479
  C     -10.925885     -2.406104      3.039393
  C     -10.084967     -2.659718      4.145205
  C      -9.056692     -1.789269      4.455170
  C      -8.829733     -0.631333      3.667724
  H      -2.429071      1.862640      2.492661
  H      -1.048349      0.917273      3.039394
  H      -3.329136     -0.607056      3.830597
  H      -2.218936     -0.983575      2.519861
  H      -4.840313      1.935605     -0.572410
  H      -7.916475     -1.441972     -0.098892
  H      -8.146625     -3.415616      1.424126
  H      -6.415031     -3.854042      3.160403
  H      -4.491725     -2.331038      3.424678
  H      -5.416702      5.208691      5.197370
  H      -4.591481      6.190590      6.425138
  H      -4.530087      7.381468      4.360700
  H      -2.864500      6.813391      4.639948
  H      -6.312889      5.116696      0.895283
  H      -2.261785      3.413843     -0.450199
  H       0.007339      3.280610      0.580457
  H       0.434297      4.305004      2.810563
  H      -1.377810      5.479217      4.013606
  H      -7.291670      1.205620      6.740634
  H      -7.026684      2.244618      5.331212
  H      -5.732737      0.133230      4.385412
  H      -6.789458     -0.786187      5.476171
  H      -8.343051      2.390764      1.418038
  H     -11.381274     -1.060512      1.404460
  H     -11.721563     -3.111871      2.793325
  H     -10.243962     -3.551655      4.754386
  H      -8.406482     -2.000326      5.304849
  N      -4.899848      2.548486      3.562345
  H      -5.887762      2.293212      3.395498
  H      -4.439583      2.631887      2.651198
89
Coordinates from ORCA-job orca E -6086.457860173615
  N      -2.300803      1.599005      4.555549
  Mo     -3.902418      2.572627      5.242899
  N      -5.274337      1.628614      6.319797
  C      -4.997716      1.369838      7.727337
  C      -3.499950      1.168309      7.917164
  N      -2.745484      2.220369      7.189969
  C      -1.387763      1.764388      6.800375
  C      -1.471605      0.914854      5.541666
  C      -2.710871      3.513322      7.920326
  C      -2.607952      4.650690      6.906143
  N      -3.605222      4.434408      5.863608
  H      -0.448561      0.763345      5.148103
  H      -1.859840     -0.097183      5.783889
  H      -0.792865      2.662593      6.583473
  H      -0.902679      1.220795      7.631278
  H      -2.773536      5.611531      7.425051
  H      -1.583231      4.694085      6.486375
  H      -3.662820      3.613227      8.460231
  H      -1.886615      3.523562      8.656814
  H      -5.520457      0.460421      8.076444
  H      -5.357894      2.202609      8.367145
  H      -3.214911      0.204056      7.473456
  H      -3.221652      1.154826      8.986497
  C      -2.125817      1.100086      3.196385
  C      -2.898961     -0.206240      2.884560
  C      -4.003992     -0.071575      1.866080
  N      -3.921979      0.920062      0.981362
  C      -4.921483      1.046773      0.076477
  N      -5.983565      0.273175     -0.067808
  C      -6.067047     -0.788844      0.791415
  C      -7.161586     -1.678753      0.677707
  C      -7.270524     -2.764353      1.525397
  C      -6.290915     -2.998512      2.514088
  C      -5.216958     -2.138897      2.654989
  C      -5.079124     -1.013978      1.804057
  C      -4.444484      5.566241      5.514782
  C      -3.879797      6.490715      4.402353
  C      -3.945207      5.821833      3.063736
  N      -5.138734      5.823265      2.473145
  C      -5.252253      5.171380      1.290529
  N      -4.296775      4.571050      0.603395
  C      -3.059696      4.559524      1.185852
  C      -1.991179      3.909522      0.521494
  C      -0.747979      3.837690      1.115183
  C      -0.522844      4.406929      2.389601
  C      -1.543257      5.056995      3.054123
  C      -2.829625      5.158640      2.466790
  C      -6.634085      1.366829      5.864664
  C      -6.713136      0.144794      4.906226
  C      -7.783167      0.281836      3.865917
  N      -7.655710      1.346741      3.065899
  C      -8.558901      1.513946      2.074268
  N      -9.578442      0.728141      1.779573
  C      -9.739396     -0.369584      2.582147
  C     -10.788406     -1.275557      2.298680
  C     -10.965410     -2.405767      3.075388
  C     -10.111786     -2.663347      4.170357
  C      -9.078507     -1.795567      4.470359
  C      -8.859519     -0.635681      3.683619
  H      -2.436183      1.867711      2.478433
  H      -1.047189      0.935026      3.023807
  H      -3.313229     -0.607096      3.821269
  H      -2.200460     -0.976072      2.510819
  H      -4.836963      1.904959     -0.597968
  H      -7.911578     -1.467009     -0.085454
  H      -8.128344     -3.434376      1.444833
  H      -6.389354     -3.859903      3.176887
  H      -4.470270     -2.331212      3.426335
  H      -5.426507      5.208286      5.171510
  H      -4.619637      6.184315      6.415360
  H      -4.519038      7.384911      4.359589
  H      -2.860967      6.809093      4.661126
  H      -6.258804      5.146788      0.858381
  H      -2.192065      3.453277     -0.448217
  H       0.066222      3.319977      0.606174
  H       0.463433      4.325892      2.849580
  H      -1.365388      5.483667      4.041134
  H      -7.295917      1.206896      6.732954
  H      -7.028210      2.239311      5.320537
  H      -5.754642      0.131021      4.365446
  H      -6.796112     -0.793797      5.466823
  H      -8.406009      2.397355      1.444372
  H     -11.437109     -1.055384      1.449584
  H     -11.766864     -3.107848      2.839462
  H     -10.266013     -3.555879      4.779202
  H      -8.419662     -2.009027      5.312287
  N      -4.911743      2.541799      3.546061
  H      -5.903114      2.298965      3.383831
  H      -4.454497      2.623706      2.632975
89
Coordinates from ORCA-job orca E -6086.458333211135
  N      -2.305355      1.605582      4.544246
  Mo     -3.913297      2.572617      5.232956
  N      -5.280458      1.620740      6.310409
  C      -4.998762      1.343574      7.712476
  C      -3.498796      1.152418      7.895551
  N      -2.754361      2.218239      7.178083
  C      -1.390845      1.780233      6.788290
  C      -1.463067      0.933323      5.527088
  C      -2.732454      3.505840      7.918476
  C      -2.638838      4.651110      6.912330
  N      -3.631483      4.431516      5.865582
  H      -0.438424      0.801540      5.130773
  H      -1.832340     -0.086197      5.767558
  H      -0.807112      2.686378      6.574476
  H      -0.900468      1.241264      7.619024
  H      -2.816818      5.606991      7.436132
  H      -1.613397      4.707711      6.496005
  H      -3.684300      3.592623      8.460587
  H      -1.907536      3.518401      8.653955
  H      -5.512324      0.424387      8.049721
  H      -5.365219      2.162589      8.366463
  H      -3.205968      0.195912      7.440420
  H      -3.217312      1.129717      8.963968
  C      -2.126204      1.110724      3.184623
  C      -2.891454     -0.199974      2.871533
  C      -3.997309     -0.067994      1.852857
  N      -3.912344      0.918507      0.962935
  C      -4.912821      1.043646      0.057705
  N      -5.979003      0.275453     -0.078938
  C      -6.065391     -0.782125      0.785352
  C      -7.164010     -1.668306      0.678122
  C      -7.272374     -2.751623      1.527926
  C      -6.289783     -2.987164      2.513714
  C      -5.212949     -2.130822      2.648668
  C      -5.075399     -1.007919      1.795254
  C      -4.456629      5.569173      5.502266
  C      -3.865711      6.491945      4.401971
  C      -3.915914      5.827919      3.060074
  N      -5.102071      5.835307      2.454509
  C      -5.202541      5.189109      1.267962
  N      -4.241138      4.586059      0.590816
  C      -3.011731      4.568893      1.188410
  C      -1.936340      3.919337      0.534492
  C      -0.699302      3.846106      1.140869
  C      -0.487646      4.412591      2.418787
  C      -1.515281      5.060670      3.074206
  C      -2.795279      5.164195      2.473705
  C      -6.640850      1.363649      5.857229
  C      -6.727343      0.141200      4.901392
  C      -7.809414      0.275434      3.873900
  N      -7.696485      1.342498      3.074462
  C      -8.609047      1.501135      2.089500
  N      -9.625059      0.707944      1.802905
  C      -9.774032     -0.388421      2.609323
  C     -10.822831     -1.298531      2.338738
  C     -10.989151     -2.426426      3.121018
  C     -10.122430     -2.678699      4.207016
  C      -9.088118     -1.807669      4.493358
  C      -8.881806     -0.648691      3.701891
  H      -2.442052      1.876985      2.467097
  H      -1.046592      0.953885      3.011160
  H      -3.304004     -0.603691      3.807570
  H      -2.189045     -0.965663      2.496906
  H      -4.823260      1.895049     -0.624383
  H      -7.916118     -1.456837     -0.082840
  H      -8.130966     -3.420774      1.449514
  H      -6.387820     -3.847114      3.178344
  H      -4.463759     -2.323540      3.417318
  H      -5.433824      5.216159      5.141116
  H      -4.645193      6.186631      6.400508
  H      -4.496963      7.391396      4.351885
  H      -2.849117      6.801892      4.678087
  H      -6.203258      5.172193      0.822388
  H      -2.127273      3.465493     -0.438265
  H       0.120610      3.330316      0.638952
  H       0.493434      4.330717      2.889355
  H      -1.347774      5.484679      4.064013
  H      -7.303876      1.210713      6.726091
  H      -7.030596      2.236283      5.310426
  H      -5.775177      0.131544      4.348811
  H      -6.799811     -0.798196      5.462108
  H      -8.467893      2.384263      1.456572
  H     -11.480866     -1.081768      1.496088
  H     -11.792997     -3.129946      2.898397
  H     -10.268170     -3.570062      4.819489
  H      -8.419484     -2.017076      5.328539
  N      -4.926497      2.536557      3.535094
  H      -5.920034      2.301673      3.380360
  H      -4.473143      2.609751      2.619690
89
Coordinates from ORCA-job orca E -6086.458718132517
  N      -2.313522      1.617994      4.530342
  Mo     -3.927212      2.574579      5.223940
  N      -5.289063      1.614029      6.301311
  C      -5.001085      1.319079      7.697815
  C      -3.498913      1.138950      7.874092
  N      -2.765391      2.217794      7.165415
  C      -1.397098      1.797229      6.773457
  C      -1.459562      0.954741      5.508564
  C      -2.756229      3.500206      7.915298
  C      -2.670194      4.653011      6.917477
  N      -3.657493      4.432267      5.865385
  H      -0.433865      0.841406      5.109154
  H      -1.811108     -0.071961      5.745315
  H      -0.824269      2.710993      6.562859
  H      -0.900707      1.261695      7.602777
  H      -2.859845      5.603699      7.446713
  H      -1.643490      4.722297      6.506143
  H      -3.708459      3.574087      8.458432
  H      -1.931442      3.514981      8.650900
  H      -5.504697      0.390177      8.023547
  H      -5.374010      2.124113      8.365472
  H      -3.198911      0.190006      7.408015
  H      -3.213366      1.107479      8.941309
  C      -2.133302      1.129673      3.169412
  C      -2.890497     -0.185472      2.853222
  C      -3.999507     -0.054578      1.837676
  N      -3.916891      0.931735      0.947533
  C      -4.920970      1.057036      0.045560
  N      -5.989321      0.291636     -0.084454
  C      -6.073565     -0.765890      0.780233
  C      -7.173981     -1.650947      0.677754
  C      -7.277532     -2.735828      1.525733
  C      -6.289531     -2.974247      2.505697
  C      -5.211714     -2.118730      2.636095
  C      -5.078732     -0.994169      1.783894
  C      -4.466176      5.576003      5.485728
  C      -3.846916      6.494506      4.397575
  C      -3.879861      5.832458      3.054052
  N      -5.056913      5.845459      2.430942
  C      -5.142093      5.202097      1.241847
  N      -4.173670      4.594782      0.578463
  C      -2.953417      4.572087      1.193944
  C      -1.870557      3.920069      0.554707
  C      -0.641884      3.844516      1.177356
  C      -0.446347      4.410302      2.458122
  C      -1.481659      5.059494      3.100082
  C      -2.753257      5.165881      2.482610
  C      -6.649373      1.357089      5.850315
  C      -6.738727      0.132709      4.898472
  C      -7.830967      0.260213      3.881442
  N      -7.731569      1.327107      3.079848
  C      -8.652609      1.475773      2.100974
  N      -9.666082      0.675720      1.824799
  C      -9.804014     -0.417501      2.637525
  C     -10.853741     -1.330995      2.382797
  C     -11.009667     -2.454861      3.172953
  C     -10.129675     -2.700216      4.249821
  C      -9.093986     -1.825948      4.520367
  C      -8.899718     -0.670022      3.721670
  H      -2.457672      1.895227      2.454577
  H      -1.053023      0.982462      2.992279
  H      -3.298934     -0.595043      3.788505
  H      -2.185067     -0.945980      2.474092
  H      -4.831362      1.906846     -0.638520
  H      -7.930336     -1.438432     -0.078592
  H      -8.135871     -3.405567      1.449705
  H      -6.384247     -3.835570      3.168930
  H      -4.457786     -2.313266      3.399569
  H      -5.438160      5.229328      5.105078
  H      -4.668622      6.194523      6.380234
  H      -4.469202      7.399641      4.337902
  H      -2.833077      6.795953      4.691994
  H      -6.135779      5.192044      0.780624
  H      -2.049487      3.466987     -0.420633
  H       0.183913      3.327827      0.686130
  H       0.528153      4.327134      2.941875
  H      -1.326582      5.482726      4.092210
  H      -7.312690      1.207854      6.719805
  H      -7.038100      2.228683      5.301302
  H      -5.792180      0.126230      4.335900
  H      -6.800432     -0.805969      5.461625
  H      -8.521860      2.356830      1.462906
  H     -11.521242     -1.119231      1.546382
  H     -11.816054     -3.159833      2.964713
  H     -10.267097     -3.589000      4.867897
  H      -8.415541     -2.030063      5.348905
  N      -4.943703      2.536851      3.525406
  H      -5.940340      2.313836      3.376658
  H      -4.494911      2.606341      2.607558
89
Coordinates from ORCA-job orca E -6086.459053087469
  N      -2.322636      1.622803      4.524383
  Mo     -3.938988      2.576327      5.218213
  N      -5.298609      1.611880      6.295098
  C      -5.006105      1.298706      7.686279
  C      -3.502233      1.128368      7.858188
  N      -2.777615      2.218304      7.157411
  C      -1.405009      1.812306      6.765154
  C      -1.458211      0.970549      5.499543
  C      -2.780963      3.495866      7.915701
  C      -2.702832      4.656473      6.927062
  N      -3.683066      4.433367      5.868665
  H      -0.431630      0.873245      5.097871
  H      -1.793299     -0.062043      5.735068
  H      -0.841876      2.732262      6.555024
  H      -0.903308      1.281824      7.594581
  H      -2.906271      5.600890      7.462780
  H      -1.674421      4.740740      6.522405
  H      -3.733880      3.556874      8.459111
  H      -1.956502      3.513242      8.651716
  H      -5.500729      0.360611      7.999569
  H      -5.385723      2.090051      8.366600
  H      -3.196370      0.185600      7.383390
  H      -3.213910      1.089290      8.924520
  C      -2.140461      1.139484      3.162182
  C      -2.893372     -0.177708      2.840611
  C      -4.001102     -0.044542      1.823945
  N      -3.914104      0.941792      0.934400
  C      -4.917548      1.071993      0.032011
  N      -5.989339      0.311576     -0.097794
  C      -6.077728     -0.746735      0.765878
  C      -7.181908     -1.627324      0.662294
  C      -7.288898     -2.713456      1.508378
  C      -6.301263     -2.958009      2.487435
  C      -5.220156     -2.106612      2.618842
  C      -5.083821     -0.980612      1.768612
  C      -4.472907      5.583588      5.470596
  C      -3.824123      6.495913      4.394461
  C      -3.843866      5.837710      3.048648
  N      -5.013616      5.858174      2.412195
  C      -5.088466      5.218825      1.220141
  N      -4.116175      4.606665      0.566883
  C      -2.903071      4.576568      1.195836
  C      -1.815335      3.923390      0.565548
  C      -0.592359      3.845208      1.198932
  C      -0.407854      4.408295      2.482655
  C      -1.448163      5.057487      3.116446
  C      -2.713915      5.167617      2.487588
  C      -6.658002      1.355431      5.843695
  C      -6.746757      0.129535      4.894867
  C      -7.848724      0.247506      3.887606
  N      -7.764896      1.312374      3.081700
  C      -8.696064      1.448244      2.110067
  N      -9.706499      0.639376      1.847188
  C      -9.830258     -0.449706      2.667695
  C     -10.879153     -1.369422      2.431544
  C     -11.020666     -2.488470      3.231130
  C     -10.125625     -2.723442      4.298101
  C      -9.090592     -1.843176      4.550168
  C      -8.912293     -0.690949      3.742528
  H      -2.469241      1.904864      2.449092
  H      -1.059753      0.998026      2.983334
  H      -3.302137     -0.591311      3.774110
  H      -2.186039     -0.935216      2.459106
  H      -4.822085      1.920867     -0.652631
  H      -7.938092     -1.411086     -0.093279
  H      -8.149338     -3.380550      1.431080
  H      -6.399200     -3.820477      3.148810
  H      -4.466019     -2.305420      3.381157
  H      -5.439024      5.244113      5.069323
  H      -4.688898      6.204726      6.360301
  H      -4.434529      7.408641      4.326731
  H      -2.811793      6.784995      4.706027
  H      -6.076146      5.217938      0.746148
  H      -1.986286      3.472851     -0.412519
  H       0.237764      3.329402      0.713678
  H       0.562360      4.323924      2.975007
  H      -1.301201      5.478895      4.110697
  H      -7.323621      1.208875      6.712120
  H      -7.044534      2.225991      5.291688
  H      -5.805744      0.128177      4.323019
  H      -6.796117     -0.808168      5.460871
  H      -8.577775      2.326167      1.465440
  H     -11.557659     -1.165633      1.601897
  H     -11.827424     -3.197654      3.038470
  H     -10.251613     -3.609183      4.923111
  H      -8.400925     -2.039314      5.371452
  N      -4.955661      2.536354      3.517184
  H      -5.951811      2.312227      3.373140
  H      -4.509833      2.598017      2.597605
89
Coordinates from ORCA-job orca E -6086.459358875758
  N      -2.337493      1.641808      4.512982
  Mo     -3.956165      2.584518      5.214743
  N      -5.310645      1.610559      6.290447
  C      -5.011437      1.281349      7.676364
  C      -3.505720      1.121303      7.842498
  N      -2.791226      2.221789      7.148165
  C      -1.416228      1.829148      6.751638
  C      -1.464958      0.992738      5.482099
  C      -2.804873      3.494356      7.914572
  C      -2.730424      4.662365      6.934971
  N      -3.703602      4.441228      5.869492
  H      -0.438295      0.907671      5.077392
  H      -1.788543     -0.044772      5.712674
  H      -0.861033      2.754514      6.544033
  H      -0.908667      1.299295      7.577961
  H      -2.944063      5.600975      7.477255
  H      -1.699938      4.758231      6.537636
  H      -3.759585      3.544913      8.455883
  H      -1.982558      3.512597      8.653151
  H      -5.496713      0.334807      7.978951
  H      -5.396652      2.059885      8.368400
  H      -3.194581      0.184656      7.359067
  H      -3.213359      1.075090      8.907504
  C      -2.156463      1.167387      3.148262
  C      -2.902473     -0.152945      2.821557
  C      -4.014032     -0.021867      1.809167
  N      -3.934741      0.967461      0.922856
  C      -4.941623      1.095913      0.023620
  N      -6.010571      0.331634     -0.104270
  C      -6.091810     -0.729230      0.757086
  C      -7.193175     -1.613567      0.655132
  C      -7.292268     -2.702521      1.498452
  C      -6.299876     -2.946260      2.473115
  C      -5.221544     -2.091225      2.602781
  C      -5.093151     -0.962310      1.755013
  C      -4.472880      5.598202      5.452540
  C      -3.792893      6.500251      4.386856
  C      -3.799629      5.841097      3.041402
  N      -4.959806      5.873026      2.388166
  C      -5.024008      5.234951      1.194777
  N      -4.048773      4.612780      0.555781
  C      -2.844875      4.571118      1.201673
  C      -1.754508      3.908647      0.585859
  C      -0.540890      3.820077      1.235468
  C      -0.368867      4.381212      2.521830
  C      -1.411937      5.039066      3.141886
  C      -2.668169      5.160310      2.496126
  C      -6.668712      1.348397      5.840048
  C      -6.751585      0.123879      4.888776
  C      -7.864975      0.231356      3.892982
  N      -7.800793      1.298556      3.088287
  C      -8.743747      1.426031      2.126869
  N      -9.750015      0.608094      1.875245
  C      -9.855051     -0.482431      2.696677
  C     -10.901067     -1.409231      2.475326
  C     -11.024231     -2.528598      3.277586
  C     -10.112154     -2.757637      4.331449
  C      -9.079664     -1.870466      4.568773
  C      -8.921144     -0.716905      3.759083
  H      -2.492118      1.933974      2.439781
  H      -1.075512      1.033171      2.964992
  H      -3.305832     -0.574063      3.754117
  H      -2.192249     -0.904570      2.433693
  H      -4.850507      1.947290     -0.658677
  H      -7.953001     -1.398681     -0.097188
  H      -8.149598     -3.373703      1.422406
  H      -6.392427     -3.811203      3.132040
  H      -4.463173     -2.289375      3.361087
  H      -5.434066      5.268011      5.032213
  H      -4.699789      6.224998      6.335707
  H      -4.389148      7.421535      4.308707
  H      -2.782021      6.775654      4.715119
  H      -6.004764      5.244039      0.706450
  H      -1.916385      3.459980     -0.394655
  H       0.291333      3.297679      0.760950
  H       0.594095      4.289026      3.026971
  H      -1.274523      5.459118      4.138168
  H      -7.333290      1.195583      6.708290
  H      -7.060678      2.218190      5.290730
  H      -5.816249      0.134174      4.307686
  H      -6.783945     -0.815203      5.453891
  H      -8.640618      2.305136      1.481051
  H     -11.592849     -1.209861      1.655568
  H     -11.830204     -3.242090      3.097423
  H     -10.223767     -3.643939      4.958482
  H      -8.377610     -2.061756      5.380729
  N      -4.979883      2.550694      3.515015
  H      -5.978362      2.335150      3.375742
  H      -4.539645      2.612923      2.592909
89
Coordinates from ORCA-job orca E -6086.459655132461
  N      -2.351958      1.649446      4.511137
  Mo     -3.969905      2.590517      5.213950
  N      -5.324049      1.613073      6.286803
  C      -5.022470      1.269118      7.668484
  C      -3.515905      1.115838      7.833094
  N      -2.807339      2.223880      7.145048
  C      -1.429920      1.840849      6.748061
  C      -1.473163      1.005611      5.477375
  C      -2.831078      3.491776      7.918490
  C      -2.759040      4.667151      6.948196
  N      -3.722381      4.447253      5.873792
  H      -0.445995      0.929837      5.071874
  H      -1.787432     -0.035321      5.705632
  H      -0.881030      2.770165      6.541056
  H      -0.918541      1.313414      7.573631
  H      -2.985318      5.599105      7.497234
  H      -1.725788      4.776505      6.561014
  H      -3.788557      3.532749      8.455685
  H      -2.012170      3.510468      8.660818
  H      -5.501333      0.315707      7.959627
  H      -5.413379      2.036666      8.369538
  H      -3.200519      0.183463      7.344209
  H      -3.222626      1.064285      8.897571
  C      -2.170138      1.181234      3.144630
  C      -2.912225     -0.139860      2.811851
  C      -4.023523     -0.006171      1.799931
  N      -3.944927      0.987555      0.918435
  C      -4.951364      1.119852      0.019449
  N      -6.020156      0.355815     -0.112000
  C      -6.100863     -0.709089      0.744602
  C      -7.202278     -1.592636      0.638819
  C      -7.300490     -2.686478      1.476158
  C      -6.306907     -2.936069      2.447986
  C      -5.228695     -2.081405      2.581896
  C      -5.101580     -0.947397      1.740780
  C      -4.468229      5.611667      5.436931
  C      -3.755342      6.501831      4.382897
  C      -3.755989      5.846876      3.035390
  N      -4.909780      5.893451      2.372061
  C      -4.969728      5.262525      1.174577
  N      -3.994817      4.635131      0.540715
  C      -2.796861      4.579251      1.196431
  C      -1.706298      3.913922      0.584050
  C      -0.498558      3.812174      1.242435
  C      -0.333301      4.361603      2.534817
  C      -1.376516      5.022091      3.151562
  C      -2.626370      5.157923      2.496458
  C      -6.680024      1.346496      5.834694
  C      -6.755563      0.120404      4.885226
  C      -7.878213      0.214404      3.898936
  N      -7.829131      1.278166      3.089269
  C      -8.781876      1.393523      2.135799
  N      -9.784593      0.566862      1.897933
  C      -9.874152     -0.520027      2.725670
  C     -10.916338     -1.455113      2.520183
  C     -11.023393     -2.570690      3.329691
  C     -10.098441     -2.788409      4.374935
  C      -9.069685     -1.893146      4.596510
  C      -8.928169     -0.742679      3.779439
  H      -2.508234      1.949345      2.439207
  H      -1.089037      1.050982      2.959761
  H      -3.314001     -0.566837      3.742422
  H      -2.199775     -0.887156      2.419683
  H      -4.859495      1.974453     -0.658684
  H      -7.962598     -1.373866     -0.111880
  H      -8.157709     -3.357492      1.397536
  H      -6.399270     -3.804935      3.101698
  H      -4.469527     -2.283722      3.338263
  H      -5.424262      5.292018      4.997379
  H      -4.704849      6.244741      6.313167
  H      -4.332486      7.434657      4.298468
  H      -2.744105      6.756613      4.726288
  H      -5.945866      5.283685      0.677648
  H      -1.863688      3.474421     -0.401339
  H       0.334263      3.288785      0.770063
  H       0.625051      4.259127      3.046711
  H      -1.244035      5.433598      4.152160
  H      -7.346201      1.191878      6.701483
  H      -7.073958      2.214187      5.283582
  H      -5.825354      0.140820      4.296531
  H      -6.771979     -0.817642      5.452744
  H      -8.691082      2.269548      1.484280
  H     -11.618281     -1.264811      1.706937
  H     -11.826725     -3.290153      3.161807
  H     -10.197524     -3.672140      5.007633
  H      -8.358217     -2.075570      5.402284
  N      -4.993817      2.562111      3.512369
  H      -5.992458      2.348570      3.374682
  H      -4.556015      2.624800      2.589164
89
Coordinates from ORCA-job orca E -6086.459929629119
  N      -2.369171      1.661338      4.505191
  Mo     -3.985380      2.600117      5.212211
  N      -5.336754      1.615299      6.282025
  C      -5.031731      1.257946      7.659665
  C      -3.524079      1.112075      7.821864
  N      -2.822301      2.227869      7.139176
  C      -1.443134      1.854534      6.739620
  C      -1.483506      1.021395      5.467402
  C      -2.854914      3.490865      7.919909
  C      -2.785915      4.674378      6.959844
  N      -3.739951      4.456360      5.877327
  H      -0.456572      0.953198      5.059875
  H      -1.790261     -0.022190      5.693736
  H      -0.900457      2.787670      6.533302
  H      -0.926967      1.328321      7.563050
  H      -3.024720      5.598880      7.516585
  H      -1.750538      4.798195      6.581912
  H      -3.815236      3.522781      8.452664
  H      -2.039613      3.509250      8.666154
  H      -5.504044      0.298080      7.940108
  H      -5.427731      2.014954      8.369234
  H      -3.204270      0.183987      7.327765
  H      -3.229225      1.056058      8.885669
  C      -2.186743      1.199718      3.136363
  C      -2.925171     -0.121982      2.798859
  C      -4.038100      0.012172      1.788858
  N      -3.963462      1.009115      0.910744
  C      -4.970327      1.141148      0.012280
  N      -6.037090      0.374373     -0.121065
  C      -6.114563     -0.692703      0.733105
  C      -7.214411     -1.577899      0.626513
  C      -7.309373     -2.674243      1.460981
  C      -6.313815     -2.924701      2.430551
  C      -5.237107     -2.068355      2.565571
  C      -5.113386     -0.931809      1.727585
  C      -4.462596      5.628101      5.421926
  C      -3.717427      6.504637      4.378795
  C      -3.711113      5.851359      3.030484
  N      -4.857324      5.911544      2.355402
  C      -4.911104      5.285556      1.154905
  N      -3.935204      4.652640      0.528182
  C      -2.744718      4.582839      1.196070
  C      -1.653258      3.912368      0.590927
  C      -0.453653      3.796157      1.261712
  C      -0.298154      4.335210      2.559788
  C      -1.342230      5.000802      3.169446
  C      -2.583206      5.152481      2.501171
  C      -6.690384      1.341314      5.828571
  C      -6.755912      0.117454      4.875474
  C      -7.890265      0.197910      3.901865
  N      -7.860445      1.261341      3.091292
  C      -8.825797      1.366982      2.149213
  N      -9.823918      0.530893      1.924504
  C      -9.893367     -0.555883      2.753933
  C     -10.930723     -1.499836      2.563516
  C     -11.018321     -2.614501      3.376412
  C     -10.077987     -2.823338      4.409912
  C      -9.053714     -1.919426      4.616516
  C      -8.932584     -0.769228      3.795919
  H      -2.526697      1.969821      2.434146
  H      -1.105520      1.072828      2.950000
  H      -3.323728     -0.554401      3.728321
  H      -2.210724     -0.864997      2.402109
  H      -4.879954      1.997141     -0.664349
  H      -7.975906     -1.358594     -0.122868
  H      -8.165236     -3.346853      1.381893
  H      -6.404037     -3.795672      3.081789
  H      -4.476539     -2.271255      3.320392
  H      -5.413823      5.318883      4.965229
  H      -4.706880      6.268517      6.290842
  H      -4.274762      7.448772      4.286881
  H      -2.706338      6.738571      4.737010
  H      -5.881857      5.317563      0.648224
  H      -1.803815      3.480983     -0.399142
  H       0.380098      3.269241      0.794782
  H       0.653527      4.220585      3.081511
  H      -1.217495      5.404215      4.174432
  H      -7.356208      1.179039      6.694310
  H      -7.090261      2.207732      5.279851
  H      -5.832252      0.155088      4.277513
  H      -6.751331     -0.821882      5.441227
  H      -8.750780      2.242867      1.495649
  H     -11.645325     -1.316569      1.759703
  H     -11.818637     -3.340115      3.220477
  H     -10.161991     -3.706579      5.045460
  H      -8.331074     -2.094650      5.413952
  N      -5.014125      2.582110      3.511265
  H      -6.011172      2.363276      3.375559
  H      -4.579375      2.645925      2.586775
89
Coordinates from ORCA-job orca E -6086.460167746678
  N      -2.388723      1.671641      4.498908
  Mo     -4.001154      2.610405      5.210510
  N      -5.350402      1.619291      6.276984
  C      -5.042881      1.251921      7.651662
  C      -3.534617      1.110527      7.812260
  N      -2.837424      2.231941      7.134030
  C      -1.457329      1.865732      6.731424
  C      -1.496572      1.034651      5.457435
  C      -2.875906      3.490743      7.921029
  C      -2.807940      4.680891      6.969305
  N      -3.753716      4.465920      5.879438
  H      -0.470356      0.972352      5.047360
  H      -1.797736     -0.010795      5.682429
  H      -0.919566      2.801846      6.525888
  H      -0.936907      1.340163      7.552603
  H      -3.056611      5.599356      7.532065
  H      -1.770624      4.815927      6.599753
  H      -3.838671      3.516550      8.449690
  H      -2.063903      3.507497      8.670779
  H      -5.511249      0.287745      7.923628
  H      -5.442066      2.001282      8.367372
  H      -3.211351      0.185682      7.314473
  H      -3.239026      1.051461      8.875685
  C      -2.205795      1.216723      3.127676
  C      -2.939802     -0.105611      2.785118
  C      -4.056538      0.029824      1.779470
  N      -3.990573      1.034164      0.909029
  C      -5.000588      1.166763      0.014445
  N      -6.064091      0.395525     -0.120798
  C      -6.133248     -0.677800      0.726062
  C      -7.229718     -1.566968      0.618263
  C      -7.315782     -2.670213      1.444558
  C      -6.313953     -2.923968      2.406709
  C      -5.240759     -2.063605      2.543566
  C      -5.126441     -0.919723      1.714492
  C      -4.453799      5.645073      5.407450
  C      -3.678740      6.508008      4.374758
  C      -3.665443      5.856355      3.025636
  N      -4.803853      5.929494      2.338828
  C      -4.850269      5.309504      1.134930
  N      -3.872812      4.672305      0.514946
  C      -2.690401      4.588503      1.195369
  C      -1.597508      3.913500      0.597828
  C      -0.406420      3.783449      1.281201
  C      -0.261488      4.312288      2.584758
  C      -1.306904      4.982453      3.186978
  C      -2.538641      5.149131      2.505420
  C      -6.701946      1.337662      5.822530
  C      -6.758064      0.115262      4.867134
  C      -7.903469      0.181639      3.905819
  N      -7.890816      1.243056      3.092379
  C      -8.867273      1.338156      2.160512
  N      -9.860210      0.492829      1.948237
  C      -9.911257     -0.592320      2.780641
  C     -10.941968     -1.546125      2.602850
  C     -11.011436     -2.659246      3.419338
  C     -10.059285     -2.857115      4.444270
  C      -9.041114     -1.943503      4.638404
  C      -8.938497     -0.794790      3.813452
  H      -2.548194      1.989366      2.429442
  H      -1.124422      1.094328      2.939851
  H      -3.332950     -0.545631      3.713291
  H      -2.223148     -0.842710      2.381422
  H      -4.916770      2.027210     -0.657399
  H      -7.995696     -1.345055     -0.125751
  H      -8.169224     -3.345780      1.364682
  H      -6.397062     -3.800439      3.051438
  H      -4.475851     -2.268932      3.293284
  H      -5.401059      5.345796      4.936518
  H      -4.703843      6.292289      6.269739
  H      -4.216467      7.462746      4.275766
  H      -2.668362      6.722177      4.746861
  H      -5.815280      5.352122      0.618507
  H      -1.740361      3.490294     -0.396906
  H       0.428668      3.253540      0.820053
  H       0.683095      4.185712      3.116489
  H      -1.190788      5.377992      4.196069
  H      -7.366950      1.169428      6.687824
  H      -7.107430      2.202324      5.275221
  H      -5.841298      0.170182      4.260096
  H      -6.732499     -0.824776      5.431261
  H      -8.807146      2.212908      1.504189
  H     -11.666528     -1.371610      1.806060
  H     -11.806752     -3.392301      3.273078
  H     -10.129258     -3.739294      5.082902
  H      -8.309440     -2.110145      5.429421
  N      -5.034271      2.603688      3.511077
  H      -6.031026      2.384780      3.376318
  H      -4.601699      2.671540      2.585741
89
Coordinates from ORCA-job orca E -6086.460361277999
  N      -2.406980      1.681448      4.491976
  Mo     -4.016202      2.620239      5.208094
  N      -5.361711      1.621260      6.271754
  C      -5.051474      1.245815      7.643972
  C      -3.542433      1.110217      7.802957
  N      -2.850559      2.237151      7.128301
  C      -1.469567      1.878787      6.722322
  C      -1.507814      1.049244      5.447288
  C      -2.894018      3.492184      7.920778
  C      -2.828609      4.688145      6.976529
  N      -3.768185      4.474837      5.881401
  H      -0.482621      0.993531      5.033886
  H      -1.802311      0.001897      5.672165
  H      -0.937350      2.818107      6.517076
  H      -0.944378      1.354628      7.541380
  H      -3.086430      5.600922      7.544715
  H      -1.790345      4.833889      6.613071
  H      -3.858173      3.512411      8.447155
  H      -2.083948      3.507740      8.672560
  H      -5.515265      0.277504      7.908792
  H      -5.454158      1.988061      8.365032
  H      -3.215163      0.188534      7.302053
  H      -3.245880      1.049264      8.866015
  C      -2.222400      1.231578      3.119200
  C      -2.953646     -0.090749      2.772325
  C      -4.072038      0.046383      1.768475
  N      -4.008774      1.053930      0.901533
  C      -5.019319      1.186911      0.007787
  N      -6.082040      0.414623     -0.128547
  C      -6.148946     -0.661069      0.715218
  C      -7.244784     -1.551161      0.606896
  C      -7.328330     -2.656663      1.430225
  C      -6.324605     -2.912043      2.390076
  C      -5.252054     -2.051095      2.527383
  C      -5.140226     -0.904816      1.701369
  C      -4.447739      5.660685      5.394924
  C      -3.645859      6.511507      4.372801
  C      -3.625204      5.861642      3.022652
  N      -4.754378      5.950885      2.322642
  C      -4.792642      5.339226      1.114233
  N      -3.814896      4.694624      0.502316
  C      -2.642291      4.592863      1.196933
  C      -1.549377      3.909785      0.608532
  C      -0.367761      3.763902      1.305100
  C      -0.233089      4.283488      2.613581
  C      -1.278693      4.960900      3.207299
  C      -2.500208      5.144662      2.511873
  C      -6.710877      1.330613      5.816143
  C      -6.756198      0.110483      4.857406
  C      -7.911330      0.162936      3.907270
  N      -7.916356      1.223455      3.092413
  C      -8.904422      1.309072      2.171860
  N      -9.892479      0.455155      1.971609
  C      -9.925221     -0.628999      2.805972
  C     -10.950813     -1.590748      2.641907
  C     -11.003011     -2.702318      3.461782
  C     -10.037903     -2.890926      4.476283
  C      -9.024248     -1.969338      4.656964
  C      -8.939496     -0.822009      3.828258
  H      -2.566252      2.006104      2.423663
  H      -1.140744      1.112569      2.931464
  H      -3.344037     -0.535873      3.699238
  H      -2.235717     -0.824305      2.364463
  H      -4.937057      2.048091     -0.663423
  H      -8.012293     -1.327801     -0.135111
  H      -8.181193     -3.332832      1.349667
  H      -6.405643     -3.790246      3.032707
  H      -4.485773     -2.257885      3.275312
  H      -5.390828      5.369902      4.910848
  H      -4.703507      6.313395      6.251472
  H      -4.165647      7.475497      4.267460
  H      -2.637010      6.708903      4.757956
  H      -5.750146      5.397664      0.585695
  H      -1.684526      3.494406     -0.390622
  H       0.467901      3.229094      0.850520
  H       0.703662      4.143572      3.155758
  H      -1.171074      5.349345      4.220031
  H      -7.375317      1.155856      6.680591
  H      -7.122139      2.193355      5.270169
  H      -5.846090      0.183914      4.242239
  H      -6.709708     -0.830607      5.418576
  H      -8.859930      2.183354      1.513878
  H     -11.686104     -1.423412      1.853438
  H     -11.795057     -3.441134      3.326884
  H     -10.094456     -3.771907      5.117893
  H      -8.282784     -2.128402      5.440414
  N      -5.054778      2.621757      3.510036
  H      -6.050157      2.398221      3.376318
  H      -4.624009      2.691372      2.584014
89
Coordinates from ORCA-job orca E -6086.460511498397
  N      -2.428592      1.689439      4.484013
  Mo     -4.033256      2.629204      5.206375
  N      -5.375214      1.624359      6.269556
  C      -5.060762      1.243516      7.639379
  C      -3.551097      1.111271      7.794994
  N      -2.863690      2.242170      7.122376
  C      -1.482852      1.888769      6.711519
  C      -1.522444      1.060624      5.435296
  C      -2.908806      3.494570      7.918942
  C      -2.844069      4.693917      6.978959
  N      -3.779735      4.482650      5.879896
  H      -0.498909      1.010909      5.017195
  H      -1.810992      0.011636      5.660227
  H      -0.954425      2.830121      6.505900
  H      -0.953283      1.365539      7.528366
  H      -3.106362      5.603996      7.549568
  H      -1.805051      4.844313      6.619390
  H      -3.873130      3.511995      8.445100
  H      -2.099080      3.508508      8.671116
  H      -5.521686      0.272879      7.900543
  H      -5.463847      1.981201      8.364821
  H      -3.221655      0.192039      7.291116
  H      -3.252500      1.048651      8.857411
  C      -2.243315      1.246518      3.109136
  C      -2.969777     -0.076453      2.756130
  C      -4.093349      0.063168      1.758314
  N      -4.040622      1.079849      0.901567
  C      -5.056576      1.215541      0.014370
  N      -6.116001      0.438967     -0.123242
  C      -6.172341     -0.645282      0.710147
  C      -7.264291     -1.540260      0.600122
  C      -7.336369     -2.654446      1.412645
  C      -6.324653     -2.914537      2.362953
  C      -5.256147     -2.049046      2.502144
  C      -5.156221     -0.893587      1.687395
  C      -4.440573      5.673927      5.379717
  C      -3.616345      6.514130      4.366995
  C      -3.583167      5.864244      3.016857
  N      -4.702544      5.962058      2.302283
  C      -4.728119      5.355247      1.091199
  N      -3.747194      4.704488      0.490853
  C      -2.584799      4.592907      1.200840
  C      -1.487996      3.905515      0.624652
  C      -0.314786      3.754746      1.334310
  C      -0.193267      4.272147      2.644991
  C      -1.243190      4.952523      3.227548
  C      -2.455755      5.142351      2.518190
  C      -6.722924      1.326688      5.814526
  C      -6.761128      0.108459      4.853159
  C      -7.925396      0.148639      3.913844
  N      -7.946997      1.207935      3.097434
  C      -8.944467      1.283311      2.186264
  N      -9.926280      0.420232      1.995440
  C      -9.941503     -0.663147      2.831192
  C     -10.959324     -1.634580      2.676781
  C     -10.994250     -2.745555      3.498289
  C     -10.018878     -2.923822      4.504819
  C      -9.012367     -1.992603      4.676020
  C      -8.945340     -0.845631      3.845295
  H      -2.591063      2.023369      2.418098
  H      -1.161422      1.133192      2.920138
  H      -3.353783     -0.530716      3.681297
  H      -2.250369     -0.803505      2.339391
  H      -4.982520      2.082860     -0.649948
  H      -8.037989     -1.313606     -0.134407
  H      -8.186162     -3.334309      1.330536
  H      -6.396434     -3.799562      2.997207
  H      -4.483724     -2.259444      3.242689
  H      -5.379456      5.389269      4.884232
  H      -4.702258      6.331623      6.230713
  H      -4.123941      7.483672      4.253596
  H      -2.610738      6.702271      4.765184
  H      -5.676538      5.425821      0.548222
  H      -1.613030      3.492500     -0.376806
  H       0.524668      3.218378      0.888374
  H       0.736642      4.127966      3.197717
  H      -1.145995      5.339873      4.241709
  H      -7.385970      1.146976      6.679064
  H      -7.139372      2.187864      5.269975
  H      -5.857886      0.197305      4.229870
  H      -6.696112     -0.833321      5.411348
  H      -8.914891      2.156990      1.526903
  H     -11.702852     -1.475169      1.894425
  H     -11.780377     -3.492016      3.371374
  H     -10.061781     -3.804529      5.147847
  H      -8.262504     -2.143600      5.453014
  N      -5.078734      2.638117      3.511635
  H      -6.073813      2.413198      3.380022
  H      -4.649547      2.706779      2.584852
89
Coordinates from ORCA-job orca E -6086.460614982895
  N      -2.442154      1.696218      4.479578
  Mo     -4.045463      2.635111      5.205488
  N      -5.382820      1.621991      6.266668
  C      -5.065560      1.237399      7.635060
  C      -3.555055      1.111968      7.789580
  N      -2.873729      2.247740      7.118809
  C      -1.491641      1.902513      6.705239
  C      -1.529283      1.074584      5.429227
  C      -2.924145      3.497520      7.918725
  C      -2.862464      4.700487      6.983792
  N      -3.793409      4.488736      5.880911
  H      -0.506661      1.031958      5.008054
  H      -1.809833      0.023662      5.655325
  H      -0.969107      2.847061      6.498998
  H      -0.957343      1.382064      7.520829
  H      -3.132721      5.606353      7.557653
  H      -1.823169      4.859481      6.628594
  H      -3.889208      3.509775      8.443708
  H      -2.115529      3.511800      8.672110
  H      -5.521697      0.263513      7.892420
  H      -5.471958      1.970139      8.363688
  H      -3.221278      0.195294      7.283922
  H      -3.255446      1.049307      8.851721
  C      -2.253402      1.256653      3.104269
  C      -2.977028     -0.066531      2.747236
  C      -4.101901      0.074783      1.751011
  N      -4.050306      1.093173      0.896068
  C      -5.066203      1.228803      0.008927
  N      -6.124892      0.451216     -0.129825
  C      -6.179777     -0.634702      0.701364
  C      -7.270434     -1.531424      0.589717
  C      -7.340778     -2.646886      1.400478
  C      -6.328660     -2.907274      2.350488
  C      -5.261394     -2.040493      2.490861
  C      -5.163398     -0.883393      1.678069
  C      -4.436879      5.684999      5.368921
  C      -3.590437      6.516987      4.368526
  C      -3.551871      5.874503      3.014657
  N      -4.659940      5.998815      2.286718
  C      -4.678651      5.409275      1.066932
  N      -3.701913      4.747120      0.472574
  C      -2.551876      4.606346      1.197020
  C      -1.459805      3.906095      0.627466
  C      -0.297633      3.730038      1.349162
  C      -0.183427      4.232568      2.666466
  C      -1.229275      4.923742      3.243444
  C      -2.430077      5.139948      2.521757
  C      -6.728656      1.316659      5.810821
  C      -6.759858      0.099519      4.847855
  C      -7.930278      0.130753      3.916073
  N      -7.963018      1.188921      3.098225
  C      -8.969083      1.258942      2.196234
  N      -9.949343      0.391977      2.014962
  C      -9.953107     -0.690337      2.852325
  C     -10.968784     -1.665426      2.708287
  C     -10.992784     -2.775217      3.531950
  C     -10.008092     -2.948256      4.530195
  C      -9.003236     -2.013253      4.691220
  C      -8.947225     -0.867440      3.857987
  H      -2.602802      2.033897      2.414382
  H      -1.171071      1.146622      2.916597
  H      -3.358850     -0.525384      3.671087
  H      -2.256641     -0.790570      2.326823
  H      -4.992988      2.096563     -0.654979
  H      -8.044695     -1.304909     -0.144309
  H      -8.189663     -3.327858      1.317219
  H      -6.399100     -3.793271      2.983593
  H      -4.488377     -2.251315      3.230727
  H      -5.370772      5.407245      4.860390
  H      -4.705306      6.345548      6.215769
  H      -4.082418      7.494474      4.253624
  H      -2.586701      6.690896      4.777970
  H      -5.616902      5.506748      0.510628
  H      -1.579362      3.505319     -0.379709
  H       0.538882      3.185666      0.907553
  H       0.737549      4.068100      3.228538
  H      -1.138658      5.299392      4.262640
  H      -7.391565      1.133101      6.674647
  H      -7.148918      2.176053      5.266418
  H      -5.861290      0.199600      4.219433
  H      -6.681522     -0.842459      5.404196
  H      -8.949923      2.131720      1.535312
  H     -11.719781     -1.509983      1.932221
  H     -11.777427     -3.524706      3.413541
  H     -10.042210     -3.828033      5.175131
  H      -8.245748     -2.160041      5.461625
  N      -5.093575      2.646092      3.510829
  H      -6.087701      2.418353      3.378715
  H      -4.665012      2.722422      2.584361
89
Coordinates from ORCA-job orca E -6086.460678418786
  N      -2.465173      1.703071      4.464556
  Mo     -4.063336      2.641948      5.200238
  N      -5.393276      1.622369      6.266054
  C      -5.067752      1.235879      7.631614
  C      -3.556250      1.114489      7.778121
  N      -2.882004      2.253849      7.106362
  C      -1.501274      1.913022      6.684599
  C      -1.543585      1.085192      5.408296
  C      -2.932578      3.501691      7.909280
  C      -2.875471      4.706594      6.976674
  N      -3.806256      4.494388      5.873394
  H      -0.523623      1.048087      4.980296
  H      -1.817720      0.032862      5.635574
  H      -0.982528      2.859093      6.475808
  H      -0.960949      1.394013      7.497119
  H      -3.147511      5.611225      7.551601
  H      -1.836851      4.868242      6.621042
  H      -3.895813      3.510562      8.437604
  H      -2.121562      3.516144      8.660035
  H      -5.519890      0.260334      7.889731
  H      -5.472028      1.965940      8.364109
  H      -3.221955      0.200041      7.268933
  H      -3.251244      1.050668      8.838602
  C      -2.279644      1.268597      3.087265
  C      -3.001518     -0.054449      2.726980
  C      -4.132106      0.089896      1.737491
  N      -4.086674      1.113062      0.887832
  C      -5.106397      1.250999      0.005461
  N      -6.163711      0.471728     -0.132974
  C      -6.213092     -0.618191      0.693321
  C      -7.302760     -1.516061      0.582362
  C      -7.367864     -2.635241      1.388476
  C      -6.351353     -2.898488      2.332877
  C      -5.284603     -2.030869      2.472308
  C      -5.192086     -0.869884      1.664411
  C      -4.438281      5.692203      5.351029
  C      -3.576701      6.518787      4.360040
  C      -3.514636      5.873042      3.008504
  N      -4.609392      5.995766      2.260343
  C      -4.604335      5.407397      1.039939
  N      -3.617251      4.743921      0.464522
  C      -2.480782      4.604249      1.210149
  C      -1.377230      3.906021      0.660507
  C      -0.225922      3.736616      1.400985
  C      -0.135261      4.242413      2.718878
  C      -1.193361      4.929954      3.277371
  C      -2.383014      5.140329      2.535791
  C      -6.738602      1.310321      5.815042
  C      -6.764085      0.093843      4.851270
  C      -7.940233      0.114736      3.926887
  N      -7.988691      1.173204      3.110397
  C      -9.002340      1.234686      2.216629
  N      -9.975888      0.359026      2.041580
  C      -9.962956     -0.724425      2.877293
  C     -10.970687     -1.708613      2.739840
  C     -10.978321     -2.819231      3.562457
  C      -9.984307     -2.984215      4.552831
  C      -8.987044     -2.040335      4.707242
  C      -8.948002     -0.892963      3.875088
  H      -2.632721      2.047214      2.400890
  H      -1.197678      1.161698      2.896654
  H      -3.376714     -0.519812      3.650241
  H      -2.281896     -0.774166      2.298009
  H      -5.037018      2.121535     -0.655071
  H      -8.080555     -1.287851     -0.147247
  H      -8.216002     -3.317035      1.305556
  H      -6.417778     -3.787176      2.962462
  H      -4.507928     -2.243865      3.207549
  H      -5.366598      5.415399      4.831977
  H      -4.715149      6.355729      6.192845
  H      -4.067161      7.495598      4.233861
  H      -2.579422      6.695823      4.783783
  H      -5.530154      5.508838      0.464167
  H      -1.478738      3.503349     -0.347832
  H       0.620635      3.195959      0.973775
  H       0.777172      4.083489      3.296101
  H      -1.121104      5.308378      4.296925
  H      -7.398136      1.122246      6.680517
  H      -7.165673      2.167413      5.272279
  H      -5.870294      0.203692      4.217773
  H      -6.673138     -0.847960      5.405891
  H      -8.997091      2.108060      1.556596
  H     -11.728894     -1.559133      1.969761
  H     -11.756863     -3.575847      3.449988
  H     -10.005285     -3.864860      5.196997
  H      -8.221890     -2.180648      5.471099
  N      -5.122107      2.656561      3.511399
  H      -6.113819      2.416897      3.382952
  H      -4.695884      2.728099      2.583544
89
Coordinates from ORCA-job orca E -6086.460717487649
  N      -2.473263      1.711621      4.445592
  Mo     -4.073149      2.641340      5.189283
  N      -5.394592      1.608769      6.253306
  C      -5.063173      1.219331      7.616765
  C      -3.550371      1.107736      7.759591
  N      -2.885985      2.254603      7.090183
  C      -1.503619      1.926251      6.663359
  C      -1.543072      1.100882      5.385750
  C      -2.944610      3.498752      7.898120
  C      -2.895997      4.708376      6.971841
  N      -3.823230      4.493954      5.866133
  H      -0.524144      1.073229      4.954480
  H      -1.807074      0.045746      5.612106
  H      -0.993499      2.877194      6.454983
  H      -0.956319      1.409936      7.472972
  H      -3.177124      5.607568      7.551143
  H      -1.858134      4.881283      6.619206
  H      -3.907860      3.498288      8.426482
  H      -2.133676      3.515388      8.648976
  H      -5.508350      0.239883      7.872223
  H      -5.470492      1.943977      8.352944
  H      -3.210931      0.197299      7.246621
  H      -3.242396      1.042709      8.819147
  C      -2.286595      1.283065      3.066798
  C      -3.002102     -0.042519      2.704350
  C      -4.141399      0.097883      1.724691
  N      -4.110744      1.123970      0.877642
  C      -5.138959      1.256394      0.004528
  N      -6.191786      0.469518     -0.127265
  C      -6.225745     -0.623008      0.696311
  C      -7.308380     -1.530108      0.591053
  C      -7.356385     -2.653277      1.392974
  C      -6.330089     -2.910972      2.328208
  C      -5.270390     -2.033974      2.462541
  C      -5.194542     -0.869661      1.657726
  C      -4.448888      5.692964      5.338969
  C      -3.574029      6.522661      4.362855
  C      -3.490384      5.883710      3.009182
  N      -4.570656      6.015563      2.241891
  C      -4.544149      5.437605      1.016563
  N      -3.549164      4.774190      0.455060
  C      -2.427984      4.623614      1.221318
  C      -1.316751      3.925264      0.687189
  C      -0.179941      3.746579      1.447590
  C      -0.112113      4.242472      2.770787
  C      -1.178094      4.929599      3.314425
  C      -2.353016      5.149697      2.552373
  C      -6.740305      1.293818      5.804989
  C      -6.768954      0.076797      4.841380
  C      -7.951103      0.096783      3.924378
  N      -8.000174      1.149716      3.100670
  C      -9.021665      1.211015      2.215748
  N     -10.003181      0.341253      2.056358
  C      -9.989301     -0.736642      2.899118
  C     -11.006972     -1.713008      2.779942
  C     -11.015655     -2.817134      3.611201
  C     -10.011657     -2.983802      4.591287
  C      -9.004660     -2.047385      4.727860
  C      -8.965262     -0.905658      3.887617
  H      -2.645611      2.061511      2.383254
  H      -1.204569      1.182455      2.873914
  H      -3.366954     -0.515265      3.628063
  H      -2.280645     -0.754878      2.266185
  H      -5.081429      2.128600     -0.655105
  H      -8.093969     -1.306847     -0.131834
  H      -8.198027     -3.343349      1.313515
  H      -6.383300     -3.802841      2.954628
  H      -4.485613     -2.242906      3.190382
  H      -5.370004      5.416945      4.806929
  H      -4.737151      6.353899      6.179186
  H      -4.063045      7.499726      4.232719
  H      -2.582996      6.699789      4.801239
  H      -5.456789      5.551325      0.422548
  H      -1.400851      3.530597     -0.326007
  H       0.672929      3.206511      1.032140
  H       0.788982      4.076242      3.363693
  H      -1.124334      5.299729      4.338198
  H      -7.397172      1.104433      6.672257
  H      -7.170054      2.150591      5.263909
  H      -5.878463      0.185410      4.203131
  H      -6.675206     -0.864208      5.396942
  H      -9.017871      2.079399      1.549417
  H     -11.772645     -1.562292      2.017442
  H     -11.802975     -3.567036      3.513996
  H     -10.033108     -3.859210      5.242648
  H      -8.232564     -2.188119      5.484664
  N      -5.132823      2.657532      3.501179
  H      -6.120491      2.403689      3.370374
  H      -4.706660      2.742627      2.574390
89
Coordinates from ORCA-job orca E -6086.460758125314
  N      -2.491398      1.720055      4.424650
  Mo     -4.085565      2.649589      5.179685
  N      -5.397505      1.610515      6.250415
  C      -5.054267      1.216174      7.609249
  C      -3.540000      1.109127      7.740277
  N      -2.885721      2.262102      7.071453
  C      -1.504578      1.942328      6.634398
  C      -1.548663      1.116739      5.356727
  C      -2.947069      3.502420      7.884778
  C      -2.907199      4.715666      6.963109
  N      -3.834597      4.500632      5.857483
  H      -0.533119      1.096990      4.917085
  H      -1.802678      0.059547      5.584930
  H      -1.001528      2.896303      6.422447
  H      -0.948362      1.428855      7.439753
  H      -3.191572      5.611917      7.545382
  H      -1.870624      4.894348      6.609736
  H      -3.907916      3.494514      8.417333
  H      -2.133139      3.520265      8.632370
  H      -5.494401      0.234387      7.864588
  H      -5.457867      1.936431      8.351872
  H      -3.200762      0.202582      7.220388
  H      -3.224040      1.040067      8.797251
  C      -2.313397      1.292048      3.044376
  C      -3.024990     -0.037285      2.685955
  C      -4.171279      0.098151      1.713728
  N      -4.146363      1.122198      0.864065
  C      -5.175840      1.247568     -0.008630
  N      -6.224791      0.455487     -0.137861
  C      -6.253693     -0.634682      0.689164
  C      -7.333630     -1.545240      0.588056
  C      -7.378165     -2.665173      1.394770
  C      -6.348793     -2.917815      2.327975
  C      -5.290742     -2.037788      2.457421
  C      -5.220531     -0.874450      1.650479
  C      -4.453482      5.700951      5.325345
  C      -3.565801      6.532990      4.363446
  C      -3.459413      5.896523      3.010418
  N      -4.522646      6.039014      2.220967
  C      -4.473030      5.468845      0.992799
  N      -3.470437      4.802236      0.448974
  C      -2.367688      4.638510      1.239028
  C      -1.251208      3.933032      0.725863
  C      -0.134233      3.737728      1.511079
  C      -0.091440      4.225533      2.838239
  C      -1.162290      4.921039      3.361181
  C      -2.318010      5.156135      2.574548
  C      -6.745404      1.295503      5.811003
  C      -6.777011      0.079278      4.847194
  C      -7.965395      0.095430      3.938597
  N      -8.027743      1.150521      3.118787
  C      -9.054441      1.205949      2.239489
  N     -10.028261      0.327347      2.081318
  C      -9.999736     -0.753954      2.919439
  C     -11.004666     -1.743120      2.796950
  C     -10.995718     -2.852548      3.620887
  C      -9.987682     -3.011080      4.598251
  C      -8.992787     -2.062688      4.737421
  C      -8.970101     -0.916132      3.903063
  H      -2.680091      2.068531      2.362534
  H      -1.232353      1.196027      2.844096
  H      -3.379974     -0.513340      3.611802
  H      -2.303159     -0.744984      2.240874
  H      -5.121169      2.116883     -0.672335
  H      -8.121286     -1.326602     -0.133905
  H      -8.219801     -3.356276      1.320987
  H      -6.398988     -3.807549      2.957674
  H      -4.504047     -2.242365      3.184384
  H      -5.367787      5.426403      4.780983
  H      -4.752179      6.359972      6.163561
  H      -4.054971      7.509079      4.226770
  H      -2.581873      6.712616      4.816790
  H      -5.371485      5.592979      0.379227
  H      -1.316105      3.545489     -0.291500
  H       0.722011      3.191290      1.111983
  H       0.794306      4.047266      3.450505
  H      -1.128563      5.284178      4.388246
  H      -7.397045      1.104199      6.681903
  H      -7.179816      2.151980      5.273201
  H      -5.891119      0.190341      4.203417
  H      -6.676746     -0.861990      5.401176
  H      -9.061886      2.076604      1.575842
  H     -11.773401     -1.598548      2.036365
  H     -11.771100     -3.613907      3.519564
  H      -9.995063     -3.891064      5.243675
  H      -8.215370     -2.198552      5.489622
  N      -5.155263      2.668984      3.497308
  H      -6.143331      2.414776      3.370072
  H      -4.734583      2.771124      2.569549
89
Coordinates from ORCA-job orca E -6086.460817118678
  N      -2.504983      1.733111      4.385265
  Mo     -4.099199      2.647363      5.158308
  N      -5.390993      1.590986      6.237425
  C      -5.030126      1.190651      7.589755
  C      -3.513370      1.100007      7.704628
  N      -2.880294      2.265294      7.036423
  C      -1.498921      1.966750      6.585333
  C      -1.544218      1.142488      5.306706
  C      -2.953477      3.499386      7.857988
  C      -2.934686      4.719722      6.945588
  N      -3.860640      4.498268      5.840250
  H      -0.532678      1.137050      4.857444
  H      -1.781173      0.081524      5.535811
  H      -1.012026      2.928372      6.370085
  H      -0.927374      1.459370      7.383786
  H      -3.231859      5.606983      7.535281
  H      -1.901588      4.917490      6.592008
  H      -3.911914      3.474514      8.394271
  H      -2.136893      3.523181      8.602481
  H      -5.456509      0.202112      7.842555
  H      -5.434420      1.900890      8.341662
  H      -3.169281      0.200837      7.175274
  H      -3.185594      1.027767      8.757733
  C      -2.338085      1.305709      3.003394
  C      -3.042245     -0.029729      2.652968
  C      -4.197727      0.097194      1.690816
  N      -4.180232      1.115866      0.834383
  C      -5.214233      1.232520     -0.033730
  N      -6.262573      0.437971     -0.151705
  C      -6.285256     -0.645838      0.683766
  C      -7.365274     -1.557380      0.595831
  C      -7.404361     -2.671472      1.410869
  C      -6.369033     -2.916845      2.339305
  C      -5.310276     -2.035672      2.455658
  C      -5.245672     -0.877871      1.640417
  C      -4.481167      5.695438      5.303580
  C      -3.585735      6.538762      4.359027
  C      -3.434805      5.898875      3.012057
  N      -4.476381      6.026539      2.191530
  C      -4.382602      5.456371      0.965769
  N      -3.354674      4.804619      0.452008
  C      -2.273959      4.655138      1.274790
  C      -1.133100      3.964893      0.795139
  C      -0.039723      3.779279      1.615366
  C      -0.044536      4.264521      2.944112
  C      -1.138528      4.948287      3.433567
  C      -2.272051      5.171352      2.611691
  C      -6.742741      1.274826      5.812566
  C      -6.782936      0.057801      4.850090
  C      -7.977101      0.076682      3.949374
  N      -8.041490      1.131269      3.129528
  C      -9.075174      1.190818      2.258669
  N     -10.054530      0.316711      2.109843
  C     -10.024158     -0.763958      2.948749
  C     -11.035744     -1.747755      2.836589
  C     -11.025681     -2.855916      3.662053
  C     -10.009751     -3.018890      4.630610
  C      -9.008487     -2.075901      4.759588
  C      -8.986772     -0.930418      3.923444
  H      -2.718258      2.078027      2.324130
  H      -1.258507      1.218304      2.791903
  H      -3.383095     -0.508225      3.582795
  H      -2.319218     -0.731175      2.199935
  H      -5.163934      2.095654     -0.705770
  H      -8.157564     -1.344523     -0.122770
  H      -8.246055     -3.363570      1.347495
  H      -6.415149     -3.802118      2.975599
  H      -4.519141     -2.234656      3.179355
  H      -5.383893      5.414185      4.743721
  H      -4.798797      6.349518      6.138950
  H      -4.089197      7.505212      4.206740
  H      -2.615630      6.737978      4.833634
  H      -5.265195      5.565587      0.326696
  H      -1.160876      3.580355     -0.225135
  H       0.834779      3.243241      1.242608
  H       0.823720      4.095666      3.583545
  H      -1.140959      5.310076      4.461592
  H      -7.385658      1.082440      6.689793
  H      -7.183385      2.130922      5.279313
  H      -5.900439      0.163574      4.201225
  H      -6.683064     -0.882884      5.405110
  H      -9.083901      2.060888      1.594122
  H     -11.810551     -1.599643      2.082889
  H     -11.806595     -3.612709      3.569338
  H     -10.016286     -3.897767      5.277538
  H      -8.225303     -2.215033      5.505116
  N      -5.181344      2.664758      3.482736
  H      -6.165913      2.394914      3.360145
  H      -4.767221      2.778251      2.553397
89
Coordinates from ORCA-job orca E -6086.460863503567
  N      -2.506569      1.739464      4.366248
  Mo     -4.103942      2.639377      5.148267
  N      -5.385398      1.576716      6.233631
  C      -5.016343      1.173512      7.582723
  C      -3.498539      1.092342      7.689414
  N      -2.875914      2.262922      7.020685
  C      -1.494401      1.975063      6.563436
  C      -1.538710      1.153010      5.282947
  C      -2.954748      3.495522      7.844309
  C      -2.946251      4.717481      6.933580
  N      -3.871773      4.491389      5.829084
  H      -0.528433      1.155120      4.830777
  H      -1.767612      0.089843      5.510131
  H      -1.015880      2.940485      6.347269
  H      -0.915612      1.470693      7.358550
  H      -3.248932      5.601738      7.525034
  H      -1.914907      4.923054      6.579377
  H      -3.911774      3.463457      8.382664
  H      -2.136747      3.523590      8.587068
  H      -5.434816      0.181072      7.833721
  H      -5.422245      1.877961      8.339249
  H      -3.151935      0.196782      7.155574
  H      -3.164639      1.018871      8.740483
  C      -2.344407      1.314753      2.983265
  C      -3.043199     -0.024259      2.635034
  C      -4.202187      0.098295      1.676643
  N      -4.189030      1.115926      0.819256
  C      -5.228271      1.232583     -0.042504
  N      -6.279535      0.440890     -0.151379
  C      -6.298666     -0.641466      0.685954
  C      -7.382293     -1.549606      0.607933
  C      -7.417764     -2.662759      1.424180
  C      -6.375894     -2.909520      2.345005
  C      -5.313840     -2.031353      2.451987
  C      -5.251959     -0.875182      1.634465
  C      -4.499486      5.684121      5.290995
  C      -3.608389      6.535793      4.348342
  C      -3.431700      5.887353      3.008478
  N      -4.466827      5.988103      2.176090
  C      -4.350502      5.406462      0.957670
  N      -3.304703      4.770642      0.460104
  C      -2.229584      4.649235      1.294926
  C      -1.071230      3.976107      0.832802
  C       0.016803      3.817066      1.665948
  C      -0.009736      4.316474      2.988931
  C      -1.120316      4.986183      3.460509
  C      -2.250898      5.178358      2.626741
  C      -6.740444      1.262763      5.817521
  C      -6.790174      0.043132      4.858146
  C      -7.984947      0.067381      3.957879
  N      -8.045559      1.123083      3.139184
  C      -9.079430      1.188150      2.268836
  N     -10.062992      0.318783      2.120503
  C     -10.037452     -0.762204      2.959072
  C     -11.055551     -1.739513      2.848965
  C     -11.051221     -2.847489      3.674793
  C     -10.034303     -3.017109      4.641151
  C      -9.026945     -2.080185      4.768505
  C      -8.999725     -0.934762      3.932468
  H      -2.732499      2.085828      2.307111
  H      -1.265476      1.233947      2.765489
  H      -3.377573     -0.504621      3.566184
  H      -2.318376     -0.721610      2.178580
  H      -5.181263      2.094575     -0.716259
  H      -8.179661     -1.335221     -0.104578
  H      -8.261155     -3.353239      1.367850
  H      -6.419388     -3.794082      2.982477
  H      -4.517778     -2.231549      3.169963
  H      -5.397758      5.395154      4.727957
  H      -4.825413      6.336071      6.124979
  H      -4.128384      7.491278      4.183403
  H      -2.646865      6.756163      4.830972
  H      -5.229891      5.489228      0.310355
  H      -1.081004      3.583174     -0.184644
  H       0.904856      3.293574      1.306949
  H       0.856171      4.172289      3.637520
  H      -1.135893      5.362607      4.483106
  H      -7.378758      1.073811      6.698863
  H      -7.181774      2.119013      5.285156
  H      -5.907331      0.139495      4.208253
  H      -6.696897     -0.896682      5.415808
  H      -9.084085      2.058845      1.605212
  H     -11.831077     -1.586145      2.097079
  H     -11.838244     -3.598321      3.584393
  H     -10.045648     -3.895643      5.288486
  H      -8.244079     -2.224124      5.513459
  N      -5.195652      2.649305      3.478331
  H      -6.179643      2.373340      3.362540
  H      -4.786631      2.753004      2.545896
89
Coordinates from ORCA-job orca E -6086.460890001471
  N      -2.510621      1.747541      4.351735
  Mo     -4.110576      2.635809      5.140452
  N      -5.383917      1.567775      6.229772
  C      -5.007312      1.157993      7.574601
  C      -3.488562      1.086539      7.674782
  N      -2.875874      2.263666      7.008455
  C      -1.493498      1.987631      6.546376
  C      -1.534417      1.167986      5.264087
  C      -2.961533      3.493785      7.835311
  C      -2.961338      4.718010      6.927324
  N      -3.884168      4.488603      5.821423
  H      -0.525595      1.180825      4.808853
  H      -1.752562      0.102103      5.489238
  H      -1.024136      2.957407      6.329900
  H      -0.907704      1.487204      7.338847
  H      -3.270978      5.598709      7.520670
  H      -1.931139      4.931881      6.575019
  H      -3.917502      3.454148      8.375037
  H      -2.142682      3.525112      8.576969
  H      -5.417900      0.160905      7.820439
  H      -5.415635      1.854325      8.337316
  H      -3.138044      0.195734      7.135490
  H      -3.149897      1.010507      8.724160
  C      -2.350259      1.327698      2.967267
  C      -3.042685     -0.014563      2.617986
  C      -4.206557      0.105320      1.665160
  N      -4.199440      1.123655      0.808587
  C      -5.244574      1.240627     -0.046017
  N      -6.297044      0.449558     -0.147294
  C      -6.309721     -0.633947      0.688872
  C      -7.393540     -1.542580      0.617599
  C      -7.421756     -2.657551      1.431670
  C      -6.372181     -2.905743      2.343466
  C      -5.310049     -2.027053      2.443972
  C      -5.255581     -0.868978      1.628675
  C      -4.509855      5.680122      5.278101
  C      -3.613995      6.534080      4.341456
  C      -3.418057      5.881449      3.006137
  N      -4.446966      5.968068      2.164505
  C      -4.316118      5.379317      0.951067
  N      -3.261584      4.747803      0.466729
  C      -2.192705      4.640167      1.311446
  C      -1.027374      3.969003      0.864533
  C       0.055622      3.824485      1.706886
  C       0.017388      4.339205      3.023523
  C      -1.100712      5.006592      3.480598
  C      -2.227720      5.181076      2.638332
  C      -6.741690      1.255978      5.820333
  C      -6.800226      0.034615      4.863455
  C      -7.998356      0.061627      3.967252
  N      -8.059686      1.117519      3.148903
  C      -9.094945      1.183590      2.280145
  N     -10.079180      0.314952      2.133026
  C     -10.053009     -0.766151      2.971243
  C     -11.071985     -1.742623      2.862372
  C     -11.066938     -2.851074      3.687530
  C     -10.048371     -3.022002      4.651911
  C      -9.040129     -2.085764      4.778183
  C      -9.013868     -0.939847      3.942982
  H      -2.746060      2.098470      2.295228
  H      -1.271757      1.255250      2.744560
  H      -3.369942     -0.499687      3.549128
  H      -2.315653     -0.705956      2.156006
  H      -5.202313      2.102680     -0.720097
  H      -8.196539     -1.327233     -0.088287
  H      -8.264864     -3.348737      1.380410
  H      -6.409649     -3.791986      2.978984
  H      -4.507718     -2.228577      3.154620
  H      -5.403131      5.388691      4.708506
  H      -4.843320      6.331592      6.109561
  H      -4.139877      7.484524      4.166675
  H      -2.659863      6.764255      4.834114
  H      -5.190417      5.451660      0.295820
  H      -1.027477      3.566294     -0.149121
  H       0.949236      3.302487      1.359493
  H       0.880334      4.208771      3.678946
  H      -1.122698      5.396547      4.498092
  H      -7.376420      1.070950      6.705124
  H      -7.182793      2.112409      5.288255
  H      -5.919711      0.126111      4.209548
  H      -6.708103     -0.904726      5.422099
  H      -9.099938      2.054526      1.617048
  H     -11.848664     -1.588289      2.111867
  H     -11.854638     -3.601327      3.597826
  H     -10.059287     -3.901013      5.298601
  H      -8.256312     -2.230811      5.521941
  N      -5.209420      2.638241      3.475443
  H      -6.193489      2.359948      3.366024
  H      -4.805723      2.737268      2.540250
89
Coordinates from ORCA-job orca E -6086.460905457578
  N      -2.513340      1.753076      4.337979
  Mo     -4.115935      2.630971      5.131894
  N      -5.381235      1.557032      6.224534
  C      -4.996484      1.138556      7.564198
  C      -3.476856      1.078239      7.658240
  N      -2.875628      2.263409      6.995906
  C      -1.491806      2.001269      6.529933
  C      -1.527811      1.183058      5.246449
  C      -2.971412      3.489870      7.827045
  C      -2.979863      4.717499      6.923572
  N      -3.897176      4.484733      5.813883
  H      -0.520694      1.208011      4.788031
  H      -1.733803      0.114506      5.470413
  H      -1.033013      2.975940      6.313012
  H      -0.898710      1.505971      7.320200
  H      -3.299578      5.592836      7.519741
  H      -1.950717      4.942662      6.575585
  H      -3.927321      3.440489      8.366084
  H      -2.153322      3.524864      8.569375
  H      -5.398224      0.136079      7.802887
  H      -5.407826      1.824999      8.334219
  H      -3.121182      0.193307      7.112641
  H      -3.133703      0.999090      8.705956
  C      -2.354846      1.335435      2.952525
  C      -3.041570     -0.010293      2.604395
  C      -4.210295      0.106722      1.657064
  N      -4.206394      1.123173      0.798060
  C      -5.255604      1.239239     -0.051549
  N      -6.309767      0.449435     -0.145277
  C      -6.318901     -0.632647      0.692951
  C      -7.403555     -1.540877      0.628608
  C      -7.428087     -2.654773      1.444312
  C      -6.373557     -2.902522      2.350628
  C      -5.310334     -2.024388      2.444157
  C      -5.259898     -0.867037      1.627486
  C      -4.519802      5.675411      5.264741
  C      -3.617993      6.532347      4.336791
  C      -3.404265      5.878831      3.004572
  N      -4.427428      5.953847      2.154754
  C      -4.282203      5.363334      0.943858
  N      -3.219617      4.736851      0.470680
  C      -2.156967      4.639977      1.324593
  C      -0.985095      3.971916      0.890708
  C       0.092891      3.839093      1.741455
  C       0.043317      4.364963      3.053222
  C      -1.081949      5.028877      3.497907
  C      -2.205012      5.188678      2.647845
  C      -6.741926      1.247888      5.822534
  C      -6.809896      0.025478      4.867756
  C      -8.011503      0.056522      3.976087
  N      -8.073482      1.113728      3.159651
  C      -9.110632      1.182676      2.293269
  N     -10.095995      0.315384      2.146618
  C     -10.069190     -0.767093      2.982951
  C     -11.089275     -1.742426      2.874289
  C     -11.083633     -2.852323      3.697483
  C     -10.063505     -3.025786      4.659756
  C      -9.054060     -2.090755      4.785752
  C      -9.028371     -0.943583      3.952442
  H      -2.757981      2.104598      2.282965
  H      -1.276920      1.270612      2.725221
  H      -3.361963     -0.498423      3.536224
  H      -2.312863     -0.696857      2.137886
  H      -5.215573      2.098885     -0.728930
  H      -8.209949     -1.326069     -0.073585
  H      -8.271813     -3.345582      1.398416
  H      -6.407766     -3.788173      2.987185
  H      -4.503732     -2.225845      3.150004
  H      -5.407045      5.381990      4.686815
  H      -4.861970      6.325824      6.093574
  H      -4.148125      7.479039      4.154508
  H      -2.671183      6.769620      4.840071
  H      -5.150994      5.429111      0.280644
  H      -0.976100      3.562136     -0.120094
  H       0.991402      3.318928      1.404146
  H       0.903070      4.245659      3.714968
  H      -1.110658      5.428159      4.511751
  H      -7.372544      1.066570      6.711101
  H      -7.182891      2.104858      5.291410
  H      -5.932150      0.112645      4.209526
  H      -6.718932     -0.913729      5.426774
  H      -9.115845      2.054867      1.631841
  H     -11.867252     -1.586127      2.125516
  H     -11.871960     -3.601930      3.607607
  H     -10.074089     -3.906003      5.304806
  H      -8.269104     -2.238030      5.527879
  N      -5.219867      2.627358      3.470540
  H      -6.205177      2.351355      3.366655
  H      -4.821628      2.727951      2.533237
89
Coordinates from ORCA-job orca E -6086.460919636257
  N      -2.518711      1.759445      4.315841
  Mo     -4.122158      2.627211      5.117469
  N      -5.377971      1.547264      6.214698
  C      -4.982214      1.117528      7.547365
  C      -3.461651      1.068747      7.632427
  N      -2.873453      2.263293      6.975682
  C      -1.488881      2.017390      6.503240
  C      -1.520505      1.201373      5.218054
  C      -2.979433      3.484649      7.812908
  C      -2.998247      4.716513      6.915460
  N      -3.910339      4.481273      5.802245
  H      -0.516395      1.241712      4.754374
  H      -1.711029      0.129622      5.440169
  H      -1.042897      2.997789      6.285518
  H      -0.886233      1.528041      7.289967
  H      -3.327958      5.585760      7.515303
  H      -1.970632      4.953554      6.571268
  H      -3.934223      3.423770      8.352647
  H      -2.161027      3.523100      8.554713
  H      -5.374233      0.109175      7.777596
  H      -5.395182      1.792432      8.326649
  H      -3.101495      0.191127      7.078063
  H      -3.112346      0.984403      8.677705
  C      -2.364719      1.343677      2.929110
  C      -3.044407     -0.006788      2.584094
  C      -4.220142      0.104177      1.644720
  N      -4.221735      1.116347      0.780327
  C      -5.276811      1.228389     -0.062210
  N      -6.332249      0.439048     -0.144203
  C      -6.335323     -0.639504      0.698686
  C      -7.419859     -1.548449      0.645252
  C      -7.438060     -2.659542      1.465007
  C      -6.376853     -2.903680      2.364416
  C      -5.313332     -2.024802      2.447191
  C      -5.269496     -0.869959      1.626500
  C      -4.532034      5.671217      5.250403
  C      -3.623877      6.534115      4.334919
  C      -3.385880      5.881589      3.006364
  N      -4.399145      5.944619      2.143627
  C      -4.232318      5.354682      0.935371
  N      -3.159297      4.733849      0.478599
  C      -2.107664      4.647010      1.347138
  C      -0.927315      3.981941      0.932497
  C       0.140778      3.859802      1.797382
  C       0.072733      4.395974      3.104079
  C      -1.061607      5.056879      3.530229
  C      -2.175796      5.202770      2.666406
  C      -6.742636      1.241594      5.823551
  C      -6.822855      0.016686      4.873266
  C      -8.028074      0.051716      3.986264
  N      -8.091039      1.109401      3.170711
  C      -9.129945      1.179855      2.306528
  N     -10.115930      0.313354      2.160985
  C     -10.088139     -0.769745      2.996300
  C     -11.108589     -1.744705      2.888220
  C     -11.101938     -2.855333      3.710328
  C     -10.080491     -3.029853      4.670939
  C      -9.070504     -2.095340      4.796178
  C      -9.045792     -0.947527      3.963870
  H      -2.777321      2.110213      2.262266
  H      -1.287849      1.287515      2.695188
  H      -3.354979     -0.497824      3.517542
  H      -2.313784     -0.687339      2.111986
  H      -5.241482      2.084074     -0.744872
  H      -8.230957     -1.336681     -0.052404
  H      -8.281691     -3.350911      1.427525
  H      -6.405745     -3.787275      3.004043
  H      -4.501186     -2.223640      3.147320
  H      -5.412192      5.375938      4.662618
  H      -4.884499      6.317960      6.077883
  H      -4.159480      7.476124      4.144356
  H      -2.686861      6.779874      4.852062
  H      -5.091491      5.415083      0.259342
  H      -0.903968      3.565572     -0.075379
  H       1.045695      3.341434      1.474909
  H       0.925424      4.287356      3.776676
  H      -1.102801      5.464063      4.540535
  H      -7.367214      1.065912      6.717588
  H      -7.183783      2.098778      5.293119
  H      -5.948022      0.096459      4.210348
  H      -6.734788     -0.921652      5.434048
  H      -9.135995      2.052726      1.646141
  H     -11.887614     -1.587607      2.140761
  H     -11.890257     -3.604904      3.620531
  H     -10.090334     -3.910711      5.315056
  H      -8.284442     -2.243788      5.536835
  N      -5.232472      2.619172      3.461006
  H      -6.217706      2.340304      3.362887
  H      -4.840292      2.720300      2.521188
89
Coordinates from ORCA-job orca E -6086.460952516965
  N      -2.527700      1.770611      4.280220
  Mo     -4.133335      2.619961      5.095500
  N      -5.372176      1.527667      6.200000
  C      -4.956793      1.078368      7.520023
  C      -3.434841      1.050796      7.589840
  N      -2.870592      2.261910      6.942708
  C      -1.484909      2.044941      6.459772
  C      -1.509096      1.232475      5.171957
  C      -2.995975      3.473689      7.790649
  C      -3.031739      4.713785      6.905267
  N      -3.932558      4.474525      5.783911
  H      -0.510421      1.297897      4.699814
  H      -1.674335      0.156008      5.391130
  H      -1.061010      3.034887      6.241232
  H      -0.866453      1.565527      7.240339
  H      -3.380626      5.570740      7.512192
  H      -2.006611      4.972948      6.569935
  H      -3.950386      3.392476      8.328260
  H      -2.179410      3.517924      8.534254
  H      -5.331355      0.059962      7.735015
  H      -5.372384      1.732442      8.315557
  H      -3.066772      0.186160      7.020501
  H      -3.074632      0.958076      8.630740
  C      -2.381504      1.355641      2.891816
  C      -3.049528     -0.002748      2.553407
  C      -4.236404      0.097356      1.626914
  N      -4.247173      1.101971      0.753441
  C      -5.310779      1.206567     -0.078694
  N      -6.367403      0.417049     -0.142672
  C      -6.360929     -0.654786      0.708714
  C      -7.444785     -1.565230      0.672479
  C      -7.453443     -2.670789      1.499837
  C      -6.382923     -2.907461      2.390159
  C      -5.319368     -2.027118      2.455998
  C      -5.285105     -0.877574      1.627237
  C      -4.551340      5.663254      5.225582
  C      -3.632813      6.534470      4.329187
  C      -3.356411      5.881740      3.008199
  N      -4.355054      5.919302      2.126757
  C      -4.153629      5.327530      0.924713
  N      -3.062133      4.720396      0.493694
  C      -2.026184      4.657514      1.382963
  C      -0.829488      4.004144      0.998045
  C       0.224268      3.906386      1.883648
  C       0.125747      4.459789      3.181232
  C      -1.025567      5.109713      3.578523
  C      -2.127300      5.225646      2.694635
  C      -6.743084      1.227457      5.827452
  C      -6.842097      0.001384      4.880797
  C      -8.053302      0.044648      4.001994
  N      -8.117630      1.105402      3.190929
  C      -9.160091      1.181946      2.331508
  N     -10.148514      0.318227      2.186778
  C     -10.119706     -0.768012      3.017948
  C     -11.142905     -1.740210      2.910456
  C     -11.135653     -2.853681      3.728652
  C     -10.110835     -3.034014      4.684615
  C      -9.097979     -2.102501      4.809008
  C      -9.073816     -0.951870      3.980614
  H      -2.808956      2.116790      2.228165
  H      -1.306434      1.312351      2.647535
  H      -3.343475     -0.497729      3.489947
  H      -2.316118     -0.673666      2.072109
  H      -5.282832      2.055607     -0.770031
  H      -8.262548     -1.359378     -0.019193
  H      -8.296378     -3.363593      1.475283
  H      -6.404049     -3.786896      3.035854
  H      -4.499463     -2.220432      3.148574
  H      -5.419336      5.364481      4.621791
  H      -4.920724      6.305557      6.049318
  H      -4.176373      7.468994      4.124208
  H      -2.711459      6.793693      4.867216
  H      -4.999320      5.371662      0.230519
  H      -0.782449      3.576097     -0.004146
  H       1.141331      3.395726      1.584234
  H       0.968376      4.373821      3.869653
  H      -1.088131      5.530060      4.582295
  H      -7.356940      1.057244      6.730101
  H      -7.185966      2.086004      5.300925
  H      -5.972332      0.072092      4.210428
  H      -6.757714     -0.936817      5.442189
  H      -9.166825      2.057857      1.674997
  H     -11.924723     -1.578655      2.166862
  H     -11.926129     -3.601054      3.639309
  H     -10.120368     -3.917050      5.325766
  H      -8.309488     -2.255707      5.546088
  N      -5.254615      2.608384      3.446753
  H      -6.240471      2.328342      3.357949
  H      -4.872765      2.716059      2.503434
89
Coordinates from ORCA-job orca E -6086.460951716722
  N      -2.531726      1.780304      4.245219
  Mo     -4.141603      2.608354      5.072812
  N      -5.362995      1.503457      6.184374
  C      -4.925991      1.029104      7.488500
  C      -3.402967      1.026786      7.543050
  N      -2.866198      2.257186      6.909169
  C      -1.478866      2.074553      6.417274
  C      -1.491750      1.266011      5.126623
  C      -3.016521      3.456853      7.769480
  C      -3.069986      4.706800      6.899003
  N      -3.954749      4.463587      5.765872
  H      -0.499385      1.360376      4.646605
  H      -1.628347      0.184910      5.342158
  H      -1.080814      3.075171      6.198773
  H      -0.843854      1.607237      7.191885
  H      -3.442975      5.547861      7.514078
  H      -2.047737      4.992602      6.576848
  H      -3.971942      3.351796      8.301009
  H      -2.204713      3.507422      8.518033
  H      -5.280206     -0.000846      7.682531
  H      -5.345258      1.656680      8.303292
  H      -3.025149      0.178176      6.956286
  H      -3.031415      0.923920      8.579060
  C      -2.393079      1.363323      2.855673
  C      -3.048252     -0.004055      2.526249
  C      -4.245727      0.083287      1.612160
  N      -4.262648      1.075970      0.724753
  C      -5.333736      1.172132     -0.097967
  N      -6.393328      0.384919     -0.141139
  C      -6.380270     -0.676267      0.723340
  C      -7.464882     -1.586189      0.706703
  C      -7.467082     -2.682712      1.546004
  C      -6.389128     -2.910026      2.429790
  C      -5.324036     -2.030197      2.476377
  C      -5.295922     -0.889679      1.634692
  C      -4.571762      5.650785      5.201388
  C      -3.644611      6.531735      4.324424
  C      -3.332507      5.880147      3.010905
  N      -4.320311      5.885036      2.116124
  C      -4.087059      5.290745      0.921081
  N      -2.977215      4.700907      0.512795
  C      -1.953139      4.669444      1.417439
  C      -0.740059      4.031546      1.059332
  C       0.303164      3.965694      1.960560
  C       0.178070      4.540908      3.246461
  C      -0.990451      5.176018      3.617701
  C      -2.083568      5.253361      2.719278
  C      -6.741292      1.212299      5.833339
  C      -6.863488     -0.013836      4.890022
  C      -8.079792      0.042284      4.018698
  N      -8.142259      1.108346      3.215014
  C      -9.186425      1.195370      2.358644
  N     -10.178581      0.336547      2.210696
  C     -10.152434     -0.754906      3.035188
  C     -11.180316     -1.721904      2.924470
  C     -11.176489     -2.839835      3.736586
  C     -10.150523     -3.030218      4.689417
  C      -9.132926     -2.104245      4.816622
  C      -9.105202     -0.949266      3.994461
  H      -2.835696      2.117240      2.193757
  H      -1.320009      1.333266      2.601101
  H      -3.325429     -0.501050      3.466577
  H      -2.311622     -0.665530      2.037106
  H      -5.311006      2.011389     -0.801440
  H      -8.287660     -1.387584      0.018767
  H      -8.310333     -3.375533      1.535804
  H      -6.404904     -3.782516      3.085093
  H      -4.497690     -2.216620      3.163164
  H      -5.426891      5.347923      4.581619
  H      -4.958290      6.287991      6.021387
  H      -4.196194      7.458896      4.106897
  H      -2.738810      6.803304      4.882012
  H      -4.922039      5.313252      0.212698
  H      -0.672586      3.587823      0.065100
  H       1.231965      3.464631      1.682270
  H       1.013533      4.483668      3.946588
  H      -1.071423      5.612180      4.613330
  H      -7.342968      1.048792      6.745583
  H      -7.184477      2.073563      5.311802
  H      -5.998828      0.045774      4.212245
  H      -6.785922     -0.952437      5.451477
  H      -9.190737      2.076410      1.708580
  H     -11.963408     -1.552653      2.183893
  H     -11.970795     -3.582904      3.644891
  H     -10.163092     -3.916567      5.325986
  H      -8.343998     -2.265423      5.551539
  N      -5.272097      2.593753      3.430602
  H      -6.260407      2.319263      3.352086
  H      -4.901413      2.709091      2.483779
89
Coordinates from ORCA-job orca E -6086.460466147568
  N      -2.564052      1.810682      4.170079
  Mo     -4.160208      2.628691      5.036460
  N      -5.350183      1.518381      6.170305
  C      -4.892904      1.063046      7.473889
  C      -3.368579      1.059997      7.497295
  N      -2.845221      2.286668      6.847002
  C      -1.468363      2.112513      6.322220
  C      -1.503727      1.304720      5.031218
  C      -2.974923      3.487629      7.710690
  C      -3.060796      4.732937      6.835656
  N      -3.981041      4.481391      5.733462
  H      -0.520405      1.403771      4.532978
  H      -1.621680      0.221596      5.249577
  H      -1.082449      3.115957      6.095343
  H      -0.813202      1.650015      7.082660
  H      -3.414701      5.579963      7.453132
  H      -2.048268      5.014561      6.480750
  H      -3.911684      3.380873      8.274186
  H      -2.139819      3.543533      8.431835
  H      -5.244008      0.036174      7.688921
  H      -5.297289      1.700934      8.287645
  H      -3.004251      0.207395      6.907835
  H      -2.975135      0.961984      8.525172
  C      -2.459306      1.391825      2.782389
  C      -3.121564      0.026891      2.459703
  C      -4.322515      0.119056      1.550574
  N      -4.349133      1.121013      0.673297
  C      -5.424964      1.218081     -0.143282
  N      -6.482593      0.429232     -0.184492
  C      -6.460693     -0.639636      0.671213
  C      -7.546309     -1.548302      0.659997
  C      -7.537557     -2.654147      1.487686
  C      -6.447309     -2.891428      2.352449
  C      -5.383933     -2.009569      2.396396
  C      -5.367363     -0.860010      1.568523
  C      -4.611921      5.661931      5.176598
  C      -3.682248      6.551955      4.306910
  C      -3.308760      5.865804      3.028027
  N      -4.252848      5.825853      2.089560
  C      -3.964379      5.170171      0.939665
  N      -2.828906      4.587505      0.602446
  C      -1.844495      4.607338      1.549926
  C      -0.614074      3.961132      1.276186
  C       0.378296      3.926826      2.232923
  C       0.191619      4.548490      3.488778
  C      -0.991855      5.194819      3.778517
  C      -2.040480      5.235983      2.823276
  C      -6.727799      1.214972      5.827397
  C      -6.839888     -0.022639      4.897341
  C      -8.058976      0.015621      4.028987
  N      -8.125124      1.061894      3.199856
  C      -9.172247      1.123638      2.344989
  N     -10.162922      0.259180      2.222693
  C     -10.133416     -0.809484      3.075778
  C     -11.158093     -1.781933      2.991954
  C     -11.146036     -2.880634      3.829130
  C     -10.115328     -3.045642      4.781409
  C      -9.101249     -2.113170      4.882661
  C      -9.082086     -0.977402      4.034161
  H      -2.917016      2.145035      2.130676
  H      -1.391506      1.358136      2.505136
  H      -3.391210     -0.474212      3.400542
  H      -2.391434     -0.634592      1.960628
  H      -5.409868      2.064622     -0.837198
  H      -8.380325     -1.342404     -0.011315
  H      -8.381287     -3.346569      1.483333
  H      -6.454290     -3.770484      2.998208
  H      -4.551058     -2.201413      3.073547
  H      -5.458066      5.347886      4.550042
  H      -5.016834      6.290829      5.993599
  H      -4.242341      7.463212      4.050835
  H      -2.795336      6.854646      4.878867
  H      -4.777240      5.124240      0.208713
  H      -0.494802      3.481838      0.304058
  H       1.316474      3.413186      2.022896
  H       0.989513      4.513846      4.232106
  H      -1.129222      5.668135      4.750731
  H      -7.327677      1.054766      6.740735
  H      -7.177617      2.068241      5.298324
  H      -5.973837      0.028462      4.221114
  H      -6.757736     -0.954792      5.469632
  H      -9.179031      1.983700      1.669532
  H     -11.942263     -1.633175      2.248747
  H     -11.936483     -3.628921      3.756343
  H     -10.120573     -3.917861      5.436584
  H      -8.307072     -2.254172      5.615850
  N      -5.308530      2.574509      3.406420
  H      -6.287387      2.262713      3.337385
  H      -4.942244      2.677127      2.455508
89
Coordinates from ORCA-job orca E -6086.461041122086
  N      -2.552689      1.790030      4.237098
  Mo     -4.153626      2.626960      5.074135
  N      -5.373426      1.521814      6.186824
  C      -4.936639      1.056339      7.494223
  C      -3.413571      1.044904      7.544854
  N      -2.871690      2.269728      6.905143
  C      -1.488069      2.079566      6.405631
  C      -1.511527      1.271447      5.114749
  C      -3.009158      3.471458      7.765362
  C      -3.060850      4.719813      6.892531
  N      -3.954893      4.480397      5.765500
  H      -0.520664      1.360619      4.630346
  H      -1.649802      0.190624      5.331504
  H      -1.085157      3.077960      6.186010
  H      -0.852255      1.608337      7.177233
  H      -3.423302      5.566205      7.506306
  H      -2.038347      4.996124      6.563163
  H      -3.961238      3.373498      8.304302
  H      -2.191823      3.518367      8.507988
  H      -5.297044      0.030480      7.698011
  H      -5.349424      1.693135      8.304990
  H      -3.042621      0.191353      6.960923
  H      -3.039827      0.944202      8.580206
  C      -2.421044      1.373411      2.847984
  C      -3.083552      0.010611      2.516205
  C      -4.281291      0.102145      1.602659
  N      -4.307924      1.105392      0.727795
  C      -5.380198      1.200922     -0.093975
  N      -6.432193      0.404525     -0.146350
  C      -6.409950     -0.665752      0.706605
  C      -7.487788     -1.583577      0.682247
  C      -7.479831     -2.689106      1.509671
  C      -6.398406     -2.917858      2.388639
  C      -5.340804     -2.029666      2.443445
  C      -5.323103     -0.880161      1.614243
  C      -4.563111      5.670679      5.198821
  C      -3.624997      6.540566      4.320835
  C      -3.309152      5.879177      3.012820
  N      -4.285981      5.891503      2.106668
  C      -4.046157      5.286352      0.918301
  N      -2.936580      4.688343      0.522666
  C      -1.921986      4.651827      1.437424
  C      -0.708947      4.006094      1.092911
  C       0.323293      3.934419      2.005723
  C       0.188377      4.509805      3.290543
  C      -0.979361      5.152696      3.648987
  C      -2.062006      5.238321      2.737441
  C      -6.747345      1.218501      5.828841
  C      -6.852091     -0.006968      4.881700
  C      -8.070995      0.033569      4.013243
  N      -8.145961      1.094053      3.202705
  C      -9.195262      1.165692      2.351238
  N     -10.181171      0.297765      2.214268
  C     -10.141869     -0.787734      3.045953
  C     -11.161876     -1.764110      2.946697
  C     -11.143958     -2.876996      3.765455
  C     -10.111230     -3.052620      4.713814
  C      -9.101219     -2.117025      4.829840
  C      -9.087909     -0.966713      4.000561
  H      -2.860592      2.130362      2.187708
  H      -1.348401      1.335194      2.592272
  H      -3.361593     -0.489586      3.454898
  H      -2.350747     -0.652572      2.023436
  H      -5.364642      2.048688     -0.787226
  H      -8.314253     -1.384097     -0.000837
  H      -8.317838     -3.388103      1.494009
  H      -6.406417     -3.797118      3.034803
  H      -4.512686     -2.216279      3.128024
  H      -5.419223      5.371624      4.578611
  H      -4.948227      6.312807      6.015495
  H      -4.164395      7.473248      4.097131
  H      -2.717362      6.805418      4.878869
  H      -4.875419      5.307439      0.203637
  H      -0.632399      3.562328      0.099422
  H       1.252216      3.428164      1.737727
  H       1.015348      4.446014      3.999991
  H      -1.072386      5.590689      4.642529
  H      -7.351827      1.045674      6.737313
  H      -7.196975      2.076787      5.307644
  H      -5.987861      0.065637      4.204612
  H      -6.761031     -0.945657      5.441376
  H      -9.210586      2.040733      1.693957
  H     -11.949716     -1.606262      2.208734
  H     -11.932053     -3.627588      3.682682
  H     -10.112135     -3.935256      5.355550
  H      -8.306128     -2.266350      5.560587
  N      -5.288669      2.614724      3.434439
  H      -6.273682      2.328812      3.353805
  H      -4.914744      2.728241      2.488659
89
Coordinates from ORCA-job orca E -6086.461061813845
  N      -2.555842      1.797337      4.222964
  Mo     -4.157292      2.627863      5.065947
  N      -5.370243      1.516495      6.179968
  C      -4.926190      1.043257      7.482126
  C      -3.402809      1.039686      7.527125
  N      -2.870127      2.270918      6.892191
  C      -1.486492      2.092367      6.388775
  C      -1.506990      1.286966      5.096200
  C      -3.014731      3.467868      7.757665
  C      -3.073341      4.720391      6.891330
  N      -3.962852      4.480430      5.760832
  H      -0.518735      1.386658      4.608540
  H      -1.634592      0.204435      5.310977
  H      -1.091745      3.094312      6.170863
  H      -0.845191      1.623764      7.157425
  H      -3.443542      5.560773      7.508717
  H      -2.052113      5.006103      6.565770
  H      -3.966596      3.361819      8.295405
  H      -2.198268      3.516060      8.501191
  H      -5.280277      0.013936      7.679461
  H      -5.339411      1.671714      8.299155
  H      -3.029375      0.191443      6.937056
  H      -3.024855      0.935265      8.560601
  C      -2.428759      1.377386      2.834285
  C      -3.089260      0.012347      2.508278
  C      -4.289972      0.099506      1.598221
  N      -4.320361      1.100087      0.720346
  C      -5.394697      1.191560     -0.099016
  N      -6.445785      0.393685     -0.146475
  C      -6.420078     -0.673761      0.709842
  C      -7.496843     -1.592872      0.690868
  C      -7.485740     -2.695804      1.521675
  C      -6.402260     -2.920313      2.399148
  C      -5.345515     -2.030748      2.448756
  C      -5.330770     -0.883894      1.615734
  C      -4.569236      5.670948      5.192461
  C      -3.626555      6.541653      4.320638
  C      -3.300060      5.878346      3.016120
  N      -4.271495      5.883181      2.104103
  C      -4.021246      5.276195      0.918777
  N      -2.906526      4.682042      0.531928
  C      -1.897531      4.652648      1.453096
  C      -0.679587      4.011037      1.118267
  C       0.346852      3.945715      2.038057
  C       0.201350      4.524149      3.320377
  C      -0.971197      5.163626      3.669246
  C      -2.048274      5.242252      2.750412
  C      -6.745353      1.213183      5.827272
  C      -6.853495     -0.011544      4.879630
  C      -8.074186      0.030919      4.014016
  N      -8.149518      1.092150      3.204653
  C      -9.200540      1.165974      2.355571
  N     -10.188093      0.299602      2.220284
  C     -10.148843     -0.786339      3.051491
  C     -11.171129     -1.760618      2.954573
  C     -11.153633     -2.873563      3.773234
  C     -10.118898     -3.051545      4.718985
  C      -9.106628     -2.118139      4.832604
  C      -9.092883     -0.967662      4.003465
  H      -2.872563      2.131156      2.173308
  H      -1.356948      1.340667      2.574800
  H      -3.362880     -0.486571      3.448890
  H      -2.356602     -0.649915      2.014035
  H      -5.382179      2.037219     -0.794881
  H      -8.325012     -1.396539      0.008925
  H      -8.322823     -3.395993      1.509787
  H      -6.407726     -3.797550      3.048084
  H      -4.515728     -2.214078      3.132177
  H      -5.421295      5.371441      4.566997
  H      -4.959442      6.312068      6.007498
  H      -4.165010      7.473832      4.092425
  H      -2.723042      6.807919      4.884511
  H      -4.845946      5.291811      0.198558
  H      -0.594781      3.564686      0.126629
  H       1.279317      3.442037      1.777667
  H       1.023951      4.465735      4.035343
  H      -1.072789      5.604439      4.660628
  H      -7.346501      1.039684      6.737860
  H      -7.196720      2.071942      5.308419
  H      -5.990843      0.060732      4.200612
  H      -6.762205     -0.950691      5.438411
  H      -9.216040      2.041733      1.699058
  H     -11.960530     -1.600980      2.218666
  H     -11.943726     -3.622296      3.692620
  H     -10.120137     -3.934148      5.360760
  H      -8.310145     -2.269136      5.561453
  N      -5.295463      2.615617      3.428046
  H      -6.279576      2.326341      3.349288
  H      -4.923903      2.732744      2.481731
89
Coordinates from ORCA-job orca E -6086.461095501097
  N      -2.572924      1.818001      4.188855
  Mo     -4.170705      2.638752      5.048686
  N      -5.369680      1.514858      6.165490
  C      -4.909730      1.024529      7.455765
  C      -3.385960      1.033793      7.486759
  N      -2.870769      2.277484      6.862758
  C      -1.488964      2.121232      6.348163
  C      -1.506855      1.323650      5.050636
  C      -3.026144      3.463697      7.740844
  C      -3.096801      4.725608      6.889121
  N      -3.976646      4.488412      5.750317
  H      -0.525338      1.446235      4.554595
  H      -1.611043      0.237339      5.259314
  H      -1.109821      3.130008      6.134831
  H      -0.835623      1.655982      7.108709
  H      -3.481163      5.554130      7.513807
  H      -2.077470      5.028216      6.572671
  H      -3.976591      3.342494      8.277818
  H      -2.210097      3.511889      8.484901
  H      -5.252974     -0.010862      7.640007
  H      -5.320699      1.636438      8.286352
  H      -3.010416      0.196602      6.882333
  H      -2.997859      0.919464      8.515499
  C      -2.458216      1.390571      2.801158
  C      -3.118318      0.022631      2.488140
  C      -4.327625      0.100490      1.588270
  N      -4.375303      1.100799      0.710972
  C      -5.457262      1.181720     -0.099425
  N      -6.500944      0.374051     -0.138810
  C      -6.458484     -0.692510      0.717684
  C      -7.527434     -1.620745      0.708161
  C      -7.500254     -2.722715      1.539729
  C      -6.407987     -2.936972      2.408798
  C      -5.358275     -2.038590      2.448849
  C      -5.359698     -0.892291      1.614704
  C      -4.573447      5.681832      5.176850
  C      -3.616155      6.548543      4.317731
  C      -3.264605      5.877327      3.023274
  N      -4.219658      5.870021      2.094229
  C      -3.943637      5.258595      0.916749
  N      -2.818229      4.670026      0.553414
  C      -1.825824      4.652334      1.492601
  C      -0.597274      4.018201      1.182700
  C       0.412849      3.964004      2.121138
  C       0.240164      4.547006      3.398032
  C      -0.942760      5.180473      3.722280
  C      -2.003731      5.247625      2.783703
  C      -6.745877      1.206601      5.822268
  C      -6.856458     -0.017499      4.873740
  C      -8.081691      0.023009      4.014847
  N      -8.163325      1.084554      3.206372
  C      -9.219870      1.157467      2.364227
  N     -10.207390      0.290040      2.234888
  C     -10.162019     -0.796055      3.065784
  C     -11.184411     -1.770857      2.975480
  C     -11.161066     -2.883899      3.793925
  C     -10.119910     -3.061502      4.732643
  C      -9.107461     -2.127506      4.839794
  C      -9.099613     -0.976599      4.010876
  H      -2.909611      2.138718      2.138904
  H      -1.388529      1.353487      2.533090
  H      -3.381751     -0.473634      3.433022
  H      -2.388420     -0.639395      1.989336
  H      -5.458736      2.027259     -0.795591
  H      -8.362948     -1.432031      0.033024
  H      -8.331375     -3.430123      1.535031
  H      -6.400576     -3.813558      3.058627
  H      -4.521628     -2.213895      3.125977
  H      -5.417809      5.384468      4.540078
  H      -4.972529      6.323377      5.987217
  H      -4.147868      7.481307      4.076206
  H      -2.721871      6.816404      4.895278
  H      -4.754958      5.265173      0.181188
  H      -0.490856      3.568584      0.194601
  H       1.353886      3.466475      1.879790
  H       1.050223      4.498031      4.127916
  H      -1.066953      5.626684      4.708482
  H      -7.340121      1.029502      6.736768
  H      -7.203375      2.064834      5.308071
  H      -5.997434      0.057331      4.190637
  H      -6.760574     -0.957171      5.430824
  H      -9.240999      2.033692      1.708330
  H     -11.978710     -1.611530      2.244765
  H     -11.951577     -3.632791      3.718894
  H     -10.116274     -3.944110      5.374449
  H      -8.305842     -2.277977      5.563085
  N      -5.319487      2.629010      3.417851
  H      -6.300615      2.328598      3.343456
  H      -4.952854      2.750306      2.470197
89
Coordinates from ORCA-job orca E -6086.461110978659
  N      -2.579488      1.822599      4.186391
  Mo     -4.175541      2.643893      5.048473
  N      -5.374219      1.518897      6.165089
  C      -4.913691      1.027309      7.454728
  C      -3.389971      1.036366      7.484943
  N      -2.874758      2.280177      6.861344
  C      -1.493659      2.123269      6.345410
  C      -1.513119      1.327085      5.047191
  C      -3.028768      3.465831      7.740389
  C      -3.099326      4.728854      6.890325
  N      -3.977466      4.492806      5.750098
  H      -0.531859      1.450150      4.550736
  H      -1.617219      0.240498      5.254518
  H      -1.113585      3.131865      6.132896
  H      -0.840017      1.656510      7.104805
  H      -3.485175      5.556188      7.515706
  H      -2.079808      5.032829      6.575715
  H      -3.978803      3.344579      8.278085
  H      -2.212074      3.512941      8.483808
  H      -5.256949     -0.008189      7.638191
  H      -5.324212      1.638511      8.286065
  H      -3.015126      0.199359      6.879808
  H      -3.001157      0.921185      8.513355
  C      -2.465010      1.395356      2.798490
  C      -3.128029      0.028989      2.485900
  C      -4.338571      0.107405      1.587580
  N      -4.392164      1.111522      0.715192
  C      -5.476060      1.191576     -0.092887
  N      -6.516548      0.379911     -0.133875
  C      -6.468328     -0.690046      0.718042
  C      -7.534228     -1.621854      0.707481
  C      -7.501605     -2.726563      1.535184
  C      -6.406679     -2.940291      2.401098
  C      -5.359739     -2.038722      2.441827
  C      -5.366823     -0.889485      1.611711
  C      -4.568593      5.687795      5.173504
  C      -3.606668      6.549555      4.314793
  C      -3.252082      5.874860      3.022712
  N      -4.204567      5.867846      2.091078
  C      -3.926116      5.255787      0.914446
  N      -2.799974      4.667006      0.553969
  C      -1.809929      4.649333      1.495662
  C      -0.580328      4.016174      1.187951
  C       0.428352      3.962948      2.128076
  C       0.252356      4.545044      3.404921
  C      -0.931925      5.177035      3.727141
  C      -1.991027      5.244187      2.786546
  C      -6.749276      1.206366      5.821088
  C      -6.856404     -0.018475      4.872779
  C      -8.082195      0.018288      4.014535
  N      -8.167163      1.079186      3.205369
  C      -9.225599      1.149759      2.365370
  N     -10.211936      0.280602      2.238444
  C     -10.162716     -0.805278      3.069387
  C     -11.183475     -1.781972      2.981297
  C     -11.156296     -2.895046      3.799644
  C     -10.112702     -3.070717      4.735985
  C      -9.101881     -2.134648      4.841156
  C      -9.098010     -0.983566      4.012413
  H      -2.914513      2.144748      2.136179
  H      -1.395289      1.355798      2.530976
  H      -3.391887     -0.466505      3.431126
  H      -2.399922     -0.635008      1.986973
  H      -5.482354      2.040130     -0.785373
  H      -8.371936     -1.433415      0.034959
  H      -8.330458     -3.436625      1.529951
  H      -6.394935     -3.819095      3.047891
  H      -4.520976     -2.213701      3.116449
  H      -5.412853      5.392724      4.535506
  H      -4.966787      6.331873      5.982306
  H      -4.135524      7.482739      4.068665
  H      -2.713869      6.817673      4.894712
  H      -4.735535      5.262646      0.176836
  H      -0.471234      3.567761      0.199561
  H       1.371058      3.467817      1.887946
  H       1.061075      4.496677      4.136374
  H      -1.058641      5.623005      4.713177
  H      -7.343443      1.027768      6.735370
  H      -7.208973      2.063089      5.306439
  H      -5.997722      0.058940      4.189461
  H      -6.757584     -0.957713      5.430126
  H      -9.249935      2.025671      1.709227
  H     -11.979659     -1.624087      2.252290
  H     -11.945686     -3.645348      3.726378
  H     -10.105897     -3.953390      5.377721
  H      -8.298406     -2.283565      5.562740
  N      -5.327439      2.635006      3.419871
  H      -6.306745      2.328854      3.345544
  H      -4.961639      2.757310      2.472050
89
Coordinates from ORCA-job orca E -6086.461133089227
  N      -2.596910      1.836510      4.174533
  Mo     -4.188769      2.655126      5.045123
  N      -5.383382      1.526933      6.163987
  C      -4.916790      1.028484      7.448923
  C      -3.392985      1.040650      7.473549
  N      -2.882388      2.287389      6.852357
  C      -1.503109      2.134503      6.330669
  C      -1.525768      1.341972      5.030339
  C      -3.036005      3.469629      7.735834
  C      -3.109636      4.736342      6.891475
  N      -3.983038      4.502467      5.747537
  H      -0.546575      1.469608      4.530941
  H      -1.625630      0.254368      5.234344
  H      -1.125499      3.144332      6.119405
  H      -0.845378      1.666666      7.085917
  H      -3.501563      5.558554      7.520006
  H      -2.090616      5.047275      6.581953
  H      -3.984521      3.344683      8.275388
  H      -2.217679      3.515105      8.477526
  H      -5.256976     -0.008859      7.627431
  H      -5.325932      1.633745      8.285256
  H      -3.019060      0.206508      6.863910
  H      -2.999602      0.922126      8.499853
  C      -2.486878      1.409435      2.785820
  C      -3.153484      0.044723      2.476476
  C      -4.368399      0.122421      1.583712
  N      -4.435783      1.133147      0.720275
  C      -5.524074      1.209090     -0.082467
  N      -6.556898      0.387907     -0.125431
  C      -6.494921     -0.688104      0.717981
  C      -7.552776     -1.629137      0.705852
  C      -7.506814     -2.738943      1.526032
  C      -6.405661     -2.949245      2.384935
  C      -5.365992     -2.039337      2.426324
  C      -5.387178     -0.884430      1.604334
  C      -4.559399      5.700721      5.162150
  C      -3.584709      6.551715      4.307385
  C      -3.218444      5.868949      3.022373
  N      -4.163442      5.857620      2.083083
  C      -3.875556      5.241769      0.910661
  N      -2.745662      4.653995      0.560685
  C      -1.762978      4.641068      1.510244
  C      -0.530020      4.009597      1.213044
  C       0.472978      3.962439      2.159770
  C       0.286612      4.548837      3.433146
  C      -0.901712      5.178275      3.745287
  C      -1.954949      5.239392      2.797967
  C      -6.757148      1.206275      5.822727
  C      -6.860234     -0.021097      4.876653
  C      -8.087640      0.009121      4.020347
  N      -8.179595      1.069258      3.210730
  C      -9.241363      1.135306      2.374543
  N     -10.224338      0.261940      2.250910
  C     -10.166643     -0.824565      3.080428
  C     -11.182248     -1.806649      2.994072
  C     -11.146038     -2.921197      3.810135
  C     -10.098416     -3.092637      4.742624
  C      -9.092756     -2.150789      4.846548
  C      -9.098057     -0.998188      4.020018
  H      -2.937155      2.160203      2.125334
  H      -1.418026      1.368316      2.515269
  H      -3.415512     -0.448864      3.423388
  H      -2.428942     -0.622491      1.976540
  H      -5.541720      2.062737     -0.768456
  H      -8.395271     -1.443099      0.038691
  H      -8.329886     -3.455717      1.520563
  H      -6.383179     -3.832212      3.025724
  H      -4.522198     -2.212011      3.095242
  H      -5.401550      5.410747      4.519004
  H      -4.957609      6.350496      5.966433
  H      -4.108275      7.484348      4.048172
  H      -2.697906      6.822626      4.895542
  H      -4.679572      5.244228      0.167281
  H      -0.412782      3.559211      0.226473
  H       1.419381      3.470718      1.927295
  H       1.090573      4.505569      4.170144
  H      -1.035667      5.627725      4.728876
  H      -7.348930      1.026334      6.738345
  H      -7.221845      2.059568      5.307140
  H      -6.002787      0.058922      4.191954
  H      -6.756628     -0.958995      5.435446
  H      -9.272110      2.011113      1.718701
  H     -11.981578     -1.651957      2.267847
  H     -11.931293     -3.675848      3.737678
  H     -10.084269     -3.976589      5.382472
  H      -8.286150     -2.296581      5.565286
  N      -5.350370      2.645645      3.423978
  H      -6.326698      2.329216      3.353009
  H      -4.989262      2.769006      2.474509
89
Coordinates from ORCA-job orca E -6086.461151401051
  N      -2.615658      1.852815      4.153333
  Mo     -4.203260      2.665664      5.035421
  N      -5.389841      1.532024      6.158228
  C      -4.912713      1.024161      7.435711
  C      -3.388798      1.042842      7.451277
  N      -2.887449      2.295165      6.834165
  C      -1.510371      2.151971      6.304090
  C      -1.535786      1.363369      5.001400
  C      -3.043255      3.471758      7.724575
  C      -3.124197      4.743263      6.888077
  N      -3.993054      4.511148      5.740609
  H      -0.560435      1.499329      4.496746
  H      -1.626958      0.274390      5.202219
  H      -1.139907      3.164625      6.093658
  H      -0.845343      1.685480      7.053792
  H      -3.523941      5.558325      7.521214
  H      -2.106903      5.064344      6.583325
  H      -3.989346      3.339433      8.266611
  H      -2.222799      3.516586      8.463937
  H      -5.247022     -0.016267      7.607188
  H      -5.319725      1.620143      8.279691
  H      -3.015042      0.213818      6.834582
  H      -2.988369      0.919903      8.474340
  C      -2.513345      1.425587      2.763644
  C      -3.180965      0.060664      2.459859
  C      -4.401460      0.134755      1.574115
  N      -4.483091      1.149096      0.716346
  C      -5.576644      1.218821     -0.079930
  N      -6.602263      0.388696     -0.120979
  C      -6.526344     -0.690216      0.717678
  C      -7.576757     -1.639584      0.708546
  C      -7.517151     -2.751697      1.524742
  C      -6.409146     -2.956144      2.376188
  C      -5.376322     -2.038293      2.414248
  C      -5.411685     -0.880802      1.596385
  C      -4.555076      5.712465      5.147111
  C      -3.565717      6.555409      4.301605
  C      -3.181228      5.865390      3.025585
  N      -4.114750      5.846387      2.074828
  C      -3.811050      5.225548      0.909089
  N      -2.675230      4.639568      0.575762
  C      -1.704236      4.634362      1.537404
  C      -0.466757      4.003708      1.258528
  C       0.525493      3.964529      2.216963
  C       0.323248      4.559289      3.484012
  C      -0.870150      5.187612      3.778491
  C      -1.913145      5.239370      2.819380
  C      -6.763117      1.203716      5.823025
  C      -6.864669     -0.026373      4.879729
  C      -8.094640     -0.001739      4.026680
  N      -8.193817      1.057528      3.216689
  C      -9.259191      1.119021      2.384726
  N     -10.239380      0.241956      2.265575
  C     -10.173581     -0.844507      3.094526
  C     -11.185133     -1.831024      3.011863
  C     -11.140520     -2.945942      3.827063
  C     -10.088259     -3.113181      4.754992
  C      -9.086514     -2.166758      4.855440
  C      -9.100418     -1.013668      4.029733
  H      -2.968367      2.176067      2.106053
  H      -1.446112      1.385593      2.486828
  H      -3.438758     -0.430631      3.409281
  H      -2.459389     -0.608626      1.958386
  H      -5.605853      2.075045     -0.762327
  H      -8.424567     -1.457860      0.046968
  H      -8.334647     -3.474824      1.522015
  H      -6.375725     -3.841013      3.013867
  H      -4.527030     -2.206643      3.077286
  H      -5.392325      5.427076      4.495572
  H      -4.956968      6.366108      5.946509
  H      -4.084340      7.486802      4.028085
  H      -2.687883      6.830046      4.901512
  H      -4.606090      5.221724      0.156195
  H      -0.337002      3.548042      0.275939
  H       1.475702      3.473961      1.998494
  H       1.118956      4.523322      4.230306
  H      -1.015454      5.643867      4.757357
  H      -7.350532      1.022921      6.741332
  H      -7.233568      2.053698      5.307433
  H      -6.009222      0.054657      4.192610
  H      -6.756908     -0.962880      5.440087
  H      -9.295949      1.994220      1.728492
  H     -11.988100     -1.679437      2.289008
  H     -11.922673     -3.704060      3.757253
  H     -10.067292     -3.997552      5.394074
  H      -8.276348     -2.309494      5.570777
  N      -5.375689      2.654564      3.422729
  H      -6.348757      2.327185      3.355982
  H      -5.021571      2.785442      2.471578
89
Coordinates from ORCA-job orca E -6086.461173344535
  N      -2.639223      1.865457      4.124668
  Mo     -4.220419      2.672631      5.021193
  N      -5.397214      1.535185      6.151317
  C      -4.907460      1.020335      7.421356
  C      -3.383460      1.043378      7.424971
  N      -2.890753      2.299551      6.808671
  C      -1.517329      2.162820      6.266989
  C      -1.550865      1.377017      4.962746
  C      -3.043785      3.471568      7.705429
  C      -3.133501      4.746618      6.875319
  N      -4.004166      4.516304      5.729273
  H      -0.579758      1.515762      4.450863
  H      -1.638508      0.287474      5.162008
  H      -1.152672      3.177318      6.055024
  H      -0.844144      1.697309      7.009985
  H      -3.536066      5.556155      7.514088
  H      -2.119057      5.075377      6.569673
  H      -3.985493      3.333764      8.253683
  H      -2.218226      3.515414      8.439104
  H      -5.237047     -0.022266      7.588757
  H      -5.309847      1.609468      8.272316
  H      -3.012128      0.217703      6.802363
  H      -2.974180      0.917755      8.444169
  C      -2.548684      1.440324      2.732926
  C      -3.213478      0.072844      2.436634
  C      -4.442432      0.139170      1.561807
  N      -4.542973      1.155203      0.708156
  C      -5.644177      1.214670     -0.078502
  N      -6.660510      0.372938     -0.113321
  C      -6.565566     -0.707161      0.722082
  C      -7.605689     -1.667806      0.720255
  C      -7.527011     -2.780671      1.533940
  C      -6.409361     -2.974687      2.375076
  C      -5.386129     -2.045817      2.405754
  C      -5.441392     -0.887326      1.590489
  C      -4.552512      5.720727      5.129281
  C      -3.548897      6.561106      4.298259
  C      -3.137577      5.868329      3.032232
  N      -4.056207      5.836977      2.067073
  C      -3.729360      5.213555      0.909174
  N      -2.583574      4.635449      0.596344
  C      -1.627622      4.643279      1.573041
  C      -0.382211      4.018867      1.317459
  C       0.595901      3.993025      2.290858
  C       0.370973      4.596776      3.549794
  C      -0.831120      5.218513      3.822015
  C      -1.860918      5.254214      2.848032
  C      -6.770619      1.199742      5.824840
  C      -6.872403     -0.032455      4.883836
  C      -8.105078     -0.010933      4.034215
  N      -8.209948      1.048285      3.224924
  C      -9.278338      1.107232      2.396629
  N     -10.256788      0.227851      2.280961
  C     -10.184444     -0.859420      3.108283
  C     -11.192864     -1.849293      3.027913
  C     -11.141225     -2.965408      3.841114
  C     -10.084944     -3.130380      4.764779
  C      -9.086154     -2.180600      4.862971
  C      -9.107228     -1.026360      4.039175
  H      -3.013948      2.189938      2.081642
  H      -1.484271      1.406301      2.445022
  H      -3.462980     -0.415939      3.389735
  H      -2.494200     -0.596925      1.932608
  H      -5.689055      2.072159     -0.758478
  H      -8.460912     -1.493904      0.066186
  H      -8.336793     -3.512383      1.537295
  H      -6.360724     -3.860269      3.010786
  H      -4.529098     -2.206396      3.060702
  H      -5.383036      5.440019      4.467207
  H      -4.960616      6.375619      5.924663
  H      -4.067253      7.488081      4.009197
  H      -2.684723      6.844042      4.913964
  H      -4.512845      5.199186      0.144444
  H      -0.234964      3.557248      0.340115
  H       1.552149      3.506855      2.090422
  H       1.155987      4.572850      4.307796
  H      -0.991645      5.681775      4.795283
  H      -7.352039      1.018055      6.746808
  H      -7.247636      2.046567      5.310323
  H      -6.019193      0.048669      4.193890
  H      -6.761610     -0.968022      5.445163
  H      -9.319211      1.982209      1.740419
  H     -11.999011     -1.699312      2.308283
  H     -11.920826     -3.726279      3.772645
  H     -10.058335     -4.015865      5.402094
  H      -8.272980     -2.322033      5.575129
  N      -5.407927      2.659545      3.420533
  H      -6.377382      2.320188      3.360459
  H      -5.064700      2.800329      2.466715
89
Coordinates from ORCA-job orca E -6086.461105506337
  N      -2.666961      1.891533      4.089596
  Mo     -4.241645      2.688829      5.003465
  N      -5.405131      1.546026      6.142989
  C      -4.901673      1.030060      7.407320
  C      -3.377837      1.056938      7.397460
  N      -2.893777      2.314741      6.777405
  C      -1.525328      2.180640      6.221366
  C      -1.571844      1.397440      4.915761
  C      -3.039492      3.484048      7.678925
  C      -3.140134      4.760711      6.852817
  N      -4.020434      4.531007      5.714529
  H      -0.604799      1.533308      4.395765
  H      -1.662343      0.307951      5.113779
  H      -1.164469      3.195944      6.006329
  H      -0.843800      1.714919      6.956534
  H      -3.539329      5.567314      7.497853
  H      -2.129899      5.093743      6.538995
  H      -3.974752      3.342766      8.237202
  H      -2.205901      3.527451      8.403402
  H      -5.226335     -0.014029      7.575065
  H      -5.298826      1.615824      8.263039
  H      -3.009820      0.232271      6.771596
  H      -2.958763      0.932181      8.412717
  C      -2.589976      1.477295      2.693054
  C      -3.255155      0.110387      2.397538
  C      -4.492666      0.177349      1.534766
  N      -4.606356      1.196231      0.686205
  C      -5.715706      1.253037     -0.089289
  N      -6.728213      0.406409     -0.117247
  C      -6.620479     -0.675751      0.714082
  C      -7.656655     -1.640554      0.720604
  C      -7.565677     -2.754532      1.531624
  C      -6.439002     -2.945605      2.361176
  C      -5.418992     -2.012864      2.383234
  C      -5.487130     -0.853231      1.570672
  C      -4.550761      5.737646      5.103587
  C      -3.529548      6.566319      4.282581
  C      -3.088573      5.855353      3.037115
  N      -3.989900      5.798703      2.056456
  C      -3.640419      5.150259      0.919340
  N      -2.488589      4.565518      0.642014
  C      -1.550641      4.598895      1.635558
  C      -0.302629      3.964933      1.420405
  C       0.657989      3.964688      2.411569
  C       0.412192      4.605765      3.647899
  C      -0.793632      5.236154      3.881207
  C      -1.806878      5.243557      2.889391
  C      -6.776157      1.194769      5.824325
  C      -6.868950     -0.043814      4.890194
  C      -8.103822     -0.037966      4.043086
  N      -8.220929      1.016237      3.229049
  C      -9.291806      1.060925      2.403014
  N     -10.262272      0.171956      2.294595
  C     -10.176679     -0.911280      3.125930
  C     -11.174931     -1.911902      3.052116
  C     -11.109184     -3.024571      3.869091
  C     -10.048692     -3.175085      4.790285
  C      -9.059596     -2.214573      4.882111
  C      -9.095194     -1.063768      4.054228
  H      -3.065150      2.231088      2.053990
  H      -1.528957      1.449962      2.392215
  H      -3.498269     -0.378662      3.352292
  H      -2.540251     -0.560231      1.888650
  H      -5.771666      2.112590     -0.765809
  H      -8.518733     -1.468470      0.075142
  H      -8.372808     -3.489032      1.542080
  H      -6.380577     -3.832073      2.994826
  H      -4.554839     -2.171465      3.029185
  H      -5.375233      5.461168      4.432317
  H      -4.962317      6.399748      5.891449
  H      -4.046303      7.485287      3.965824
  H      -2.681634      6.863609      4.913811
  H      -4.409970      5.116078      0.141247
  H      -0.139468      3.475705      0.459146
  H       1.616046      3.470436      2.242476
  H       1.183977      4.603690      4.419701
  H      -0.966590      5.727952      4.838307
  H      -7.351521      1.011747      6.749822
  H      -7.264303      2.033683      5.307488
  H      -6.018174      0.040334      4.197563
  H      -6.749039     -0.975251      5.456428
  H      -9.342046      1.931976      1.742291
  H     -11.984595     -1.772947      2.334251
  H     -11.880676     -3.794043      3.805044
  H     -10.010881     -4.058151      5.430353
  H      -8.243232     -2.345530      5.592580
  N      -5.447815      2.673063      3.418046
  H      -6.412881      2.319671      3.366586
  H      -5.118834      2.824720      2.460742
89
Coordinates from ORCA-job orca E -6086.461119035188
  N      -2.660674      1.887909      4.093351
  Mo     -4.237948      2.685144      5.004387
  N      -5.402484      1.542047      6.142303
  C      -4.899113      1.023023      7.405399
  C      -3.375415      1.050593      7.396048
  N      -2.892869      2.310840      6.780085
  C      -1.523053      2.181411      6.227014
  C      -1.564433      1.398824      4.920886
  C      -3.044014      3.478429      7.683048
  C      -3.143702      4.756375      6.858566
  N      -4.020115      4.527191      5.716749
  H      -0.597691      1.540081      4.401786
  H      -1.649698      0.308730      5.118228
  H      -1.164914      3.197972      6.014170
  H      -0.841918      1.716946      6.963308
  H      -3.545609      5.561962      7.503118
  H      -2.132778      5.090328      6.548313
  H      -3.981313      3.334724      8.237221
  H      -2.213510      3.522047      8.411100
  H      -5.223905     -0.021379      7.570901
  H      -5.295930      1.607001      8.262482
  H      -3.006242      0.228148      6.767848
  H      -2.957098      0.923474      8.411370
  C      -2.579630      1.472548      2.697415
  C      -3.238549      0.102992      2.398890
  C      -4.469517      0.164838      1.526405
  N      -4.579926      1.183638      0.677170
  C      -5.682231      1.235900     -0.108560
  N      -6.690008      0.384224     -0.147663
  C      -6.585222     -0.697931      0.683827
  C      -7.616274     -1.668106      0.678370
  C      -7.528159     -2.782417      1.489172
  C      -6.409724     -2.968181      2.330937
  C      -5.394900     -2.030095      2.364915
  C      -5.460065     -0.870003      1.552603
  C      -4.555428      5.732995      5.108180
  C      -3.538345      6.565042      4.285484
  C      -3.100008      5.854369      3.038750
  N      -4.004269      5.792890      2.061158
  C      -3.655542      5.144417      0.923747
  N      -2.502805      4.562801      0.643918
  C      -1.561812      4.600861      1.634177
  C      -0.311724      3.971738      1.415889
  C       0.651860      3.976402      2.404108
  C       0.407972      4.618822      3.640099
  C      -0.799304      5.245643      3.876037
  C      -1.815959      5.247252      2.887481
  C      -6.776610      1.199517      5.827144
  C      -6.880464     -0.035364      4.889483
  C      -8.122548     -0.023304      4.053281
  N      -8.244873      1.035101      3.245504
  C      -9.323579      1.086389      2.430209
  N     -10.297449      0.200413      2.327175
  C     -10.207400     -0.886307      3.153637
  C     -11.209414     -1.883608      3.085519
  C     -11.139610     -2.999353      3.897945
  C     -10.071275     -3.156290      4.808995
  C      -9.078282     -2.199288      4.894885
  C      -9.117534     -1.045604      4.070975
  H      -3.054301      2.224001      2.055447
  H      -1.517295      1.447194      2.400659
  H      -3.485615     -0.387626      3.351693
  H      -2.517514     -0.564007      1.893886
  H      -5.735687      2.095701     -0.785015
  H      -8.472446     -1.499935      0.024033
  H      -8.331505     -3.521226      1.490006
  H      -6.353417     -3.854981      2.964356
  H      -4.537107     -2.184641      3.020240
  H      -5.379596      5.453678      4.437808
  H      -4.968654      6.393404      5.896599
  H      -4.056340      7.484632      3.972443
  H      -2.688115      6.861694      4.913555
  H      -4.426449      5.108427      0.146926
  H      -0.149542      3.481820      0.454791
  H       1.611444      3.485612      2.232564
  H       1.182644      4.621764      4.409029
  H      -0.971268      5.740186      4.831702
  H      -7.349216      1.016334      6.754298
  H      -7.262290      2.043193      5.315654
  H      -6.035130      0.048721      4.190422
  H      -6.758924     -0.969130      5.451473
  H      -9.378109      1.960838      1.774168
  H     -12.025236     -1.739666      2.375609
  H     -11.913989     -3.766284      3.838435
  H     -10.030405     -4.041583      5.445834
  H      -8.255549     -2.335199      5.597018
  N      -5.439642      2.671438      3.415055
  H      -6.404569      2.317984      3.360686
  H      -5.108785      2.828053      2.459199
89
Coordinates from ORCA-job orca E -6086.460600621611
  N      -2.610777      1.800313      4.155232
  Mo     -4.198105      2.633074      5.019177
  N      -5.406453      1.516988      6.136805
  C      -4.944726      1.009938      7.420304
  C      -3.421275      1.009078      7.447513
  N      -2.900907      2.253500      6.830332
  C      -1.520801      2.092672      6.313518
  C      -1.546059      1.297493      5.014677
  C      -3.052891      3.433940      7.716435
  C      -3.114527      4.704470      6.876901
  N      -3.976595      4.478909      5.722469
  H      -0.564668      1.413986      4.517409
  H      -1.658100      0.211626      5.221605
  H      -1.137030      3.099692      6.101352
  H      -0.868323      1.621941      7.071428
  H      -3.510766      5.524760      7.505660
  H      -2.092087      5.014113      6.580115
  H      -4.005594      3.311845      8.249075
  H      -2.239512      3.471957      8.463864
  H      -5.293835     -0.025182      7.594241
  H      -5.349994      1.615199      8.258442
  H      -3.052113      0.173084      6.837472
  H      -3.031201      0.886256      8.474579
  C      -2.508121      1.361572      2.769464
  C      -3.191335      0.002827      2.473182
  C      -4.403790      0.088043      1.578068
  N      -4.459802      1.093469      0.707613
  C      -5.546520      1.174227     -0.096899
  N      -6.587269      0.363259     -0.136319
  C      -6.538579     -0.706148      0.715955
  C      -7.606482     -1.635621      0.709337
  C      -7.575236     -2.738040      1.539939
  C      -6.479190     -2.952013      2.404263
  C      -5.429154     -2.053762      2.439609
  C      -5.434762     -0.906623      1.606400
  C      -4.543094      5.681089      5.134357
  C      -3.560745      6.554371      4.309295
  C      -3.147059      5.894120      3.026408
  N      -4.077889      5.844728      2.073812
  C      -3.743379      5.255866      0.899883
  N      -2.582718      4.723299      0.562483
  C      -1.612213      4.753283      1.523505
  C      -0.345092      4.187435      1.236935
  C       0.651787      4.193754      2.191524
  C       0.425821      4.774793      3.460589
  C      -0.797086      5.340300      3.762764
  C      -1.847643      5.337951      2.810187
  C      -6.780694      1.200540      5.793973
  C      -6.888650     -0.034691      4.858174
  C      -8.127504     -0.018319      4.018260
  N      -8.239974      1.036929      3.204992
  C      -9.317392      1.092733      2.388318
  N     -10.297911      0.213728      2.287743
  C     -10.219232     -0.868090      3.121765
  C     -11.231482     -1.855460      3.060238
  C     -11.174717     -2.964918      3.882051
  C     -10.109357     -3.125606      4.796091
  C      -9.106707     -2.178212      4.875829
  C      -9.132620     -1.030789      4.042357
  H      -2.950215      2.112490      2.104353
  H      -1.439881      1.305843      2.498190
  H      -3.463376     -0.476051      3.424741
  H      -2.475458     -0.680603      1.982933
  H      -5.555216      2.023302     -0.788601
  H      -8.445080     -1.446052      0.038334
  H      -8.406575     -3.445289      1.538836
  H      -6.468251     -3.828947      3.053520
  H      -4.589580     -2.229536      3.112780
  H      -5.369711      5.391383      4.471623
  H      -4.962919      6.320997      5.935899
  H      -4.098960      7.477438      4.045370
  H      -2.695572      6.841400      4.920920
  H      -4.534648      5.229709      0.143439
  H      -0.195737      3.746480      0.250450
  H       1.625545      3.754172      1.966299
  H       1.227218      4.781643      4.201507
  H      -0.955930      5.792560      4.741025
  H      -7.373435      1.028555      6.710489
  H      -7.242122      2.052366      5.273143
  H      -6.039468      0.042191      4.163046
  H      -6.775664     -0.967432      5.423668
  H      -9.365708      1.965569      1.729648
  H     -12.044883     -1.708978      2.348135
  H     -11.957274     -3.723801      3.828528
  H     -10.079191     -4.005378      5.441059
  H      -8.286536     -2.315966      5.580564
  N      -5.358838      2.632909      3.398044
  H      -6.335777      2.317812      3.325828
  H      -5.000271      2.766698      2.449000
89
Coordinates from ORCA-job orca E -6086.461195049892
  N      -2.637479      1.856048      4.119312
  Mo     -4.220089      2.663925      5.013639
  N      -5.397690      1.530586      6.146773
  C      -4.909709      1.022752      7.420249
  C      -3.385926      1.039943      7.423616
  N      -2.889350      2.292192      6.801907
  C      -1.516021      2.148549      6.261139
  C      -1.553378      1.360116      4.958349
  C      -3.038128      3.467902      7.694904
  C      -3.125409      4.739662      6.859681
  N      -4.004923      4.508924      5.720155
  H      -0.581139      1.489470      4.446415
  H      -1.650899      0.272036      5.160742
  H      -1.147099      3.160985      6.047144
  H      -0.845545      1.681762      7.005685
  H      -3.517985      5.555207      7.497070
  H      -2.111055      5.059281      6.545424
  H      -3.979993      3.335020      8.244022
  H      -2.211859      3.511658      8.427741
  H      -5.243652     -0.017310      7.594625
  H      -5.309324      1.619274      8.267338
  H      -3.016935      0.210060      6.805268
  H      -2.977722      0.918428      8.443748
  C      -2.548521      1.435278      2.726210
  C      -3.210761      0.066936      2.426567
  C      -4.438861      0.134822      1.551096
  N      -4.533568      1.148343      0.693510
  C      -5.634816      1.211066     -0.092851
  N      -6.656111      0.375141     -0.124226
  C      -6.567042     -0.702502      0.714764
  C      -7.612000     -1.657818      0.715914
  C      -7.538294     -2.769440      1.531725
  C      -6.421132     -2.967245      2.372556
  C      -5.393596     -2.043094      2.401146
  C      -5.443477     -0.885997      1.583486
  C      -4.559550      5.711221      5.122567
  C      -3.559694      6.561663      4.296714
  C      -3.136432      5.872378      3.032916
  N      -4.051628      5.826281      2.064956
  C      -3.713678      5.200858      0.911333
  N      -2.563346      4.626414      0.608277
  C      -1.610863      4.648968      1.587757
  C      -0.360903      4.028808      1.343011
  C       0.614651      4.020086      2.319388
  C       0.383196      4.638388      3.569840
  C      -0.823533      5.256158      3.831690
  C      -1.851868      5.272020      2.855366
  C      -6.771793      1.197850      5.821091
  C      -6.874224     -0.031474      4.877295
  C      -8.111757     -0.011775      4.035316
  N      -8.223817      1.048735      3.228928
  C      -9.297196      1.106517      2.407041
  N     -10.274235      0.225012      2.295509
  C     -10.195158     -0.863075      3.121202
  C     -11.202719     -1.854372      3.046368
  C     -11.144813     -2.970638      3.858838
  C     -10.082722     -3.134723      4.776066
  C      -9.084524     -2.183816      4.868503
  C      -9.112135     -1.029069      4.045453
  H      -3.015438      2.186118      2.077837
  H      -1.484165      1.403678      2.436819
  H      -3.460199     -0.424056      3.378357
  H      -2.489894     -0.600180      1.921463
  H      -5.675730      2.067158     -0.774815
  H      -8.466750     -1.481060      0.061964
  H      -8.351640     -3.497196      1.536568
  H      -6.376501     -3.851746      3.010061
  H      -4.537498     -2.206313      3.056578
  H      -5.385896      5.425677      4.457527
  H      -4.974552      6.362320      5.917650
  H      -4.085813      7.484391      4.007863
  H      -2.700724      6.850883      4.916204
  H      -4.492434      5.178612      0.141897
  H      -0.208115      3.557729      0.371033
  H       1.574546      3.537310      2.126901
  H       1.167198      4.630587      4.329180
  H      -0.986096      5.733169      4.797880
  H      -7.352236      1.013807      6.743206
  H      -7.249182      2.046399      5.309624
  H      -6.025290      0.054491      4.182854
  H      -6.757279     -0.968119      5.435537
  H      -9.344194      1.983049      1.753173
  H     -12.013466     -1.705205      2.331757
  H     -11.923816     -3.732515      3.794981
  H     -10.051392     -4.020241      5.413108
  H      -8.267019     -2.324590      5.575772
  N      -5.410216      2.652399      3.414402
  H      -6.382598      2.321347      3.358658
  H      -5.071028      2.792876      2.459203
89
Coordinates from ORCA-job orca E -6086.461186339348
  N      -2.660385      1.892269      4.085831
  Mo     -4.239089      2.686755      4.997306
  N      -5.403489      1.538509      6.130530
  C      -4.899710      1.011345      7.390050
  C      -3.376063      1.043544      7.381310
  N      -2.897257      2.308709      6.773240
  C      -1.526219      2.188463      6.222025
  C      -1.560895      1.410011      4.913220
  C      -3.057278      3.471472      7.680844
  C      -3.156285      4.753845      6.863329
  N      -4.021183      4.527533      5.712040
  H      -0.595283      1.562091      4.395039
  H      -1.636277      0.318446      5.106468
  H      -1.172731      3.207601      6.013978
  H      -0.843934      1.724476      6.957627
  H      -3.567530      5.554060      7.508487
  H      -2.143935      5.093750      6.564049
  H      -3.997475      3.321767      8.228466
  H      -2.231605      3.514154      8.414432
  H      -5.221815     -0.035100      7.547551
  H      -5.298336      1.587774      8.251372
  H      -3.004257      0.226176      6.748101
  H      -2.957979      0.911199      8.396146
  C      -2.580944      1.469564      2.692378
  C      -3.246083      0.101874      2.400269
  C      -4.481026      0.166169      1.533589
  N      -4.593206      1.183822      0.683383
  C      -5.700229      1.238509     -0.095591
  N      -6.712323      0.391815     -0.125657
  C      -6.606593     -0.688952      0.707303
  C      -7.642447     -1.654099      0.711403
  C      -7.553268     -2.767670      1.522880
  C      -6.429111     -2.957658      2.356159
  C      -5.409565     -2.024561      2.380726
  C      -5.475186     -0.865199      1.567258
  C      -4.552532      5.734669      5.101933
  C      -3.529678      6.566224      4.285627
  C      -3.085580      5.856173      3.039917
  N      -3.985305      5.794613      2.058436
  C      -3.629961      5.150284      0.920439
  N      -2.475823      4.569933      0.645237
  C      -1.539027      4.607762      1.639297
  C      -0.286724      3.981709      1.423984
  C       0.674807      3.989214      2.414228
  C       0.426322      4.631161      3.649408
  C      -0.783467      5.254351      3.882542
  C      -1.798577      5.252492      2.892274
  C      -6.776395      1.193660      5.812543
  C      -6.876496     -0.040605      4.873683
  C      -8.119739     -0.032967      4.039771
  N      -8.245539      1.023362      3.229588
  C      -9.326735      1.070979      2.417371
  N     -10.299480      0.183236      2.318553
  C     -10.205976     -0.901187      3.147651
  C     -11.207939     -1.898924      3.085719
  C     -11.135394     -3.012179      3.901269
  C     -10.063578     -3.166476      4.808704
  C      -9.070777     -2.208744      4.888840
  C      -9.113264     -1.056815      4.062394
  H      -3.052596      2.219024      2.045636
  H      -1.518564      1.436981      2.396401
  H      -3.490250     -0.386977      3.354698
  H      -2.529676     -0.567839      1.892061
  H      -5.754631      2.096843     -0.773791
  H      -8.503018     -1.482909      0.063655
  H      -8.359838     -3.502903      1.530562
  H      -6.371928     -3.843835      2.990318
  H      -4.547605     -2.182112      3.029842
  H      -5.371941      5.455273      4.425828
  H      -4.971199      6.394467      5.887921
  H      -4.041478      7.489368      3.973310
  H      -2.681007      6.858270      4.918254
  H      -4.396706      5.115427      0.139514
  H      -0.119917      3.494194      0.462461
  H       1.637045      3.502945      2.244299
  H       1.199575      4.637403      4.419742
  H      -0.959534      5.751062      4.836250
  H      -7.350328      1.007957      6.738451
  H      -7.262606      2.037287      5.301536
  H      -6.032164      0.047759      4.173917
  H      -6.750497     -0.974333      5.434905
  H      -9.385166      1.944103      1.759952
  H     -12.026218     -1.757198      2.378218
  H     -11.910364     -3.778931      3.847494
  H     -10.020217     -4.049752      5.448168
  H      -8.245554     -2.341937      5.588595
  N      -5.440088      2.676590      3.406649
  H      -6.406611      2.327862      3.352953
  H      -5.106713      2.826682      2.450760
89
Coordinates from ORCA-job orca E -6086.461203521319
  N      -2.640947      1.868649      4.107545
  Mo     -4.223344      2.671031      5.006638
  N      -5.397533      1.533506      6.139568
  C      -4.906813      1.025614      7.411969
  C      -3.383011      1.043646      7.412763
  N      -2.888216      2.296782      6.791459
  C      -1.515846      2.154064      6.247569
  C      -1.556468      1.368203      4.943363
  C      -3.035384      3.470868      7.686944
  C      -3.125264      4.743781      6.854041
  N      -4.008912      4.514555      5.717567
  H      -0.584766      1.495945      4.430149
  H      -1.656652      0.280062      5.144066
  H      -1.147181      3.166798      6.034313
  H      -0.843971      1.685732      6.989853
  H      -3.515260      5.558582      7.494055
  H      -2.112033      5.063355      6.536504
  H      -3.975881      3.336597      8.238066
  H      -2.207341      3.513674      8.417811
  H      -5.239759     -0.014775      7.586278
  H      -5.305458      1.621312      8.260116
  H      -3.014460      0.214523      6.793122
  H      -2.972967      0.921583      8.432073
  C      -2.555549      1.453392      2.712475
  C      -3.214828      0.083968      2.411157
  C      -4.445992      0.150703      1.539854
  N      -4.544933      1.164174      0.682630
  C      -5.648515      1.224876     -0.100615
  N      -6.667768      0.386426     -0.130127
  C      -6.574224     -0.691305      0.708272
  C      -7.616817     -1.649125      0.711476
  C      -7.539403     -2.759970      1.528017
  C      -6.420803     -2.954348      2.367682
  C      -5.395123     -2.028025      2.393776
  C      -5.448772     -0.871785      1.575162
  C      -4.560451      5.717783      5.119315
  C      -3.557780      6.565175      4.293723
  C      -3.128668      5.867077      3.037082
  N      -4.041239      5.809742      2.067267
  C      -3.701104      5.168618      0.923018
  N      -2.551621      4.586249      0.631855
  C      -1.601899      4.620266      1.613715
  C      -0.354106      3.990786      1.382620
  C       0.618659      3.993725      2.361734
  C       0.386903      4.634320      3.600850
  C      -0.818116      5.260755      3.849561
  C      -1.844421      5.263281      2.870998
  C      -6.771482      1.197473      5.815838
  C      -6.873119     -0.032843      4.872858
  C      -8.113375     -0.017844      4.034640
  N      -8.230586      1.040513      3.226098
  C      -9.306492      1.093663      2.407211
  N     -10.281807      0.209604      2.301050
  C     -10.197779     -0.876071      3.129532
  C     -11.202837     -1.870309      3.060028
  C     -11.139406     -2.984556      3.874901
  C     -10.074298     -3.143441      4.789530
  C      -9.078399     -2.189651      4.876651
  C      -9.111385     -1.037265      4.050600
  H      -3.027303      2.205026      2.068672
  H      -1.492279      1.426553      2.418872
  H      -3.460465     -0.409627      3.362585
  H      -2.493705     -0.580274      1.902722
  H      -5.692415      2.080294     -0.783229
  H      -8.472970     -1.474625      0.058769
  H      -8.351250     -3.489367      1.534739
  H      -6.373106     -3.838362      3.005655
  H      -4.537567     -2.188994      3.047850
  H      -5.386048      5.432841      4.453141
  H      -4.975438      6.370476      5.913151
  H      -4.084112      7.485142      3.996589
  H      -2.702200      6.859323      4.915613
  H      -4.477571      5.138117      0.151486
  H      -0.201170      3.502729      0.419100
  H       1.576213      3.502439      2.180279
  H       1.169134      4.636510      4.362056
  H      -0.979698      5.755062      4.807183
  H      -7.349505      1.011916      6.739102
  H      -7.252409      2.044850      5.305647
  H      -6.026637      0.054899      4.175658
  H      -6.751819     -0.968645      5.431585
  H      -9.356876      1.968019      1.750596
  H     -12.015982     -1.725166      2.347321
  H     -11.916264     -3.748928      3.814895
  H     -10.038492     -4.027506      5.428346
  H      -8.258236     -2.326768      5.581570
  N      -5.416161      2.663055      3.409525
  H      -6.386594      2.325820      3.353581
  H      -5.079716      2.810230      2.454186
89
Coordinates from ORCA-job orca E -6086.461119549647
  N      -2.656836      1.854841      4.097472
  Mo     -4.232931      2.664947      5.000859
  N      -5.405361      1.532836      6.141230
  C      -4.909410      1.020141      7.409746
  C      -3.385706      1.037588      7.403895
  N      -2.893302      2.290917      6.781360
  C      -1.523002      2.149271      6.232832
  C      -1.566847      1.360873      4.930182
  C      -3.039537      3.464854      7.677047
  C      -3.130639      4.738869      6.845789
  N      -4.009155      4.509681      5.705175
  H      -0.598018      1.492148      4.412368
  H      -1.661264      0.272574      5.132900
  H      -1.156482      3.162092      6.016953
  H      -0.847722      1.682954      6.973329
  H      -3.525675      5.551347      7.485642
  H      -2.117214      5.062478      6.532625
  H      -3.979393      3.329882      8.229045
  H      -2.210990      3.507510      8.407374
  H      -5.242028     -0.020673      7.582096
  H      -5.304084      1.613168      8.261565
  H      -3.020254      0.208653      6.782208
  H      -2.971426      0.914488      8.421427
  C      -2.576952      1.430700      2.704653
  C      -3.241106      0.062144      2.411107
  C      -4.474971      0.127777      1.543510
  N      -4.582691      1.145604      0.692712
  C      -5.690233      1.205380     -0.085157
  N      -6.706453      0.363295     -0.113758
  C      -6.604228     -0.718554      0.718144
  C      -7.643242     -1.680366      0.721770
  C      -7.556288     -2.796233      1.530350
  C      -6.431082     -2.992231      2.360831
  C      -5.409038     -2.061976      2.386725
  C      -5.472685     -0.899990      1.576887
  C      -4.556780      5.713788      5.104213
  C      -3.547776      6.568634      4.294042
  C      -3.098993      5.883154      3.036813
  N      -3.998266      5.829361      2.054427
  C      -3.635022      5.211120      0.904517
  N      -2.474799      4.647599      0.619565
  C      -1.538002      4.678631      1.613684
  C      -0.278312      4.071170      1.387516
  C       0.683441      4.073541      2.377663
  C       0.427783      4.691009      3.623651
  C      -0.789252      5.295955      3.867747
  C      -1.804311      5.299168      2.877368
  C      -6.779295      1.195712      5.820990
  C      -6.879981     -0.036516      4.881095
  C      -8.118140     -0.021962      4.040492
  N      -8.231698      1.034069      3.228396
  C      -9.306662      1.086642      2.408194
  N     -10.283422      0.203981      2.302884
  C     -10.202199     -0.879942      3.133831
  C     -11.209390     -1.872133      3.065945
  C     -11.149279     -2.984375      3.883759
  C     -10.085088     -3.143440      4.799431
  C      -9.087425     -2.191361      4.885370
  C      -9.117498     -1.040311      4.057103
  H      -3.046641      2.180455      2.057134
  H      -1.514118      1.397353      2.409625
  H      -3.484760     -0.428149      3.364740
  H      -2.523461     -0.605494      1.902094
  H      -5.742606      2.065798     -0.760872
  H      -8.504233     -1.505020      0.075650
  H      -8.365182     -3.528921      1.537300
  H      -6.375752     -3.880236      2.992599
  H      -4.546873     -2.223780      3.034462
  H      -5.375002      5.429495      4.428725
  H      -4.981365      6.362522      5.896199
  H      -4.073432      7.489332      3.997835
  H      -2.700680      6.862157      4.927612
  H      -4.400020      5.184813      0.121596
  H      -0.106166      3.602510      0.417577
  H       1.651510      3.601670      2.198987
  H       1.201486      4.693948      4.393498
  H      -0.969177      5.774692      4.830057
  H      -7.356869      1.012474      6.745166
  H      -7.260113      2.041550      5.308378
  H      -6.031869      0.049137      4.185812
  H      -6.760614     -0.971207      5.442091
  H      -9.356129      1.960106      1.750494
  H     -12.021620     -1.726927      2.352205
  H     -11.928101     -3.746893      3.825427
  H     -10.051831     -4.025785      5.440775
  H      -8.268408     -2.328097      5.591669
  N      -5.435555      2.653504      3.410907
  H      -6.407801      2.321426      3.363164
  H      -5.103644      2.792245      2.453012
89
Coordinates from ORCA-job orca E -6086.461215292827
  N      -2.652602      1.873753      4.095742
  Mo     -4.231775      2.675247      5.001157
  N      -5.401676      1.534846      6.136151
  C      -4.904550      1.018263      7.402630
  C      -3.380835      1.041105      7.397821
  N      -2.892436      2.298772      6.781084
  C      -1.521258      2.164287      6.232953
  C      -1.561338      1.380724      4.927367
  C      -3.043620      3.468694      7.681198
  C      -3.136758      4.745526      6.854537
  N      -4.012871      4.517920      5.711857
  H      -0.592603      1.517605      4.410824
  H      -1.651741      0.291304      5.125885
  H      -1.158242      3.179304      6.021140
  H      -0.844740      1.697503      6.972042
  H      -3.534920      5.554730      7.496620
  H      -2.123644      5.072724      6.544289
  H      -3.983924      3.328864      8.231249
  H      -2.216277      3.511017      8.412904
  H      -5.233729     -0.024406      7.570251
  H      -5.301706      1.606204      8.256835
  H      -3.012124      0.216298      6.772538
  H      -2.966617      0.914838      8.414989
  C      -2.571715      1.452533      2.702112
  C      -3.233384      0.083054      2.407908
  C      -4.467522      0.146149      1.540320
  N      -4.575175      1.160347      0.685216
  C      -5.681759      1.215899     -0.094322
  N      -6.696858      0.372480     -0.121205
  C      -6.594968     -0.705524      0.715756
  C      -7.633420     -1.667894      0.722539
  C      -7.547918     -2.778791      1.538103
  C      -6.424809     -2.969036      2.372749
  C      -5.402883     -2.038518      2.394910
  C      -5.464943     -0.881733      1.577555
  C      -4.556626      5.722833      5.109116
  C      -3.545344      6.567636      4.291488
  C      -3.104683      5.868957      3.038613
  N      -4.009032      5.809890      2.061289
  C      -3.656947      5.173132      0.918056
  N      -2.502994      4.595955      0.635063
  C      -1.561222      4.631947      1.624408
  C      -0.308502      4.009484      1.400696
  C       0.657818      4.015934      2.386277
  C       0.413978      4.652871      3.624873
  C      -0.796171      5.272332      3.866395
  C      -1.816074      5.271302      2.881092
  C      -6.775354      1.195585      5.815593
  C      -6.876120     -0.032603      4.869693
  C      -8.118939     -0.018645      4.035589
  N      -8.242835      1.042795      3.231956
  C      -9.323267      1.096517      2.419092
  N     -10.296689      0.210222      2.313765
  C     -10.205225     -0.879198      3.136512
  C     -11.208010     -1.875727      3.067552
  C     -11.137320     -2.993797      3.876585
  C     -10.066744     -3.154368      4.784484
  C      -9.073155     -2.198094      4.871282
  C      -9.113740     -1.041370      4.051487
  H      -3.043824      2.201934      2.055818
  H      -1.509005      1.422200      2.406642
  H      -3.476501     -0.407543      3.361577
  H      -2.514577     -0.583597      1.899200
  H      -5.733126      2.072313     -0.775177
  H      -8.493130     -1.496619      0.073655
  H      -8.356663     -3.511615      1.547841
  H      -6.370573     -3.853163      3.010035
  H      -4.541973     -2.196142      3.045388
  H      -5.377524      5.439649      4.436425
  H      -4.976315      6.376464      5.899704
  H      -4.066684      7.488859      3.989524
  H      -2.694875      6.861101      4.920782
  H      -4.426619      5.141804      0.139847
  H      -0.145574      3.525660      0.436648
  H       1.620174      3.531964      2.209861
  H       1.191222      4.658683      4.391158
  H      -0.967221      5.765549      4.822927
  H      -7.350679      1.006351      6.739891
  H      -7.259415      2.042911      5.308493
  H      -6.031823      0.059818      4.170491
  H      -6.750485     -0.969692      5.425342
  H      -9.380199      1.973931      1.767207
  H     -12.025337     -1.729243      2.359914
  H     -11.912664     -3.759764      3.817253
  H     -10.025024     -4.041409      5.418821
  H      -8.248854     -2.336195      5.571169
  N      -5.431498      2.666613      3.409111
  H      -6.400482      2.325138      3.356730
  H      -5.097859      2.811524      2.452577
89
Coordinates from ORCA-job orca E -6086.461186210461
  N      -2.650379      1.874070      4.096096
  Mo     -4.231076      2.674839      4.999666
  N      -5.400890      1.535204      6.135453
  C      -4.905149      1.023694      7.404435
  C      -3.381423      1.045412      7.400313
  N      -2.892174      2.301251      6.780829
  C      -1.520639      2.165042      6.233612
  C      -1.560183      1.380259      4.928536
  C      -3.043425      3.472789      7.678898
  C      -3.136561      4.747926      6.849848
  N      -4.014784      4.518495      5.709121
  H      -0.591039      1.516102      4.412520
  H      -1.651713      0.291051      5.127751
  H      -1.156985      3.179653      6.020955
  H      -0.844951      1.698716      6.973724
  H      -3.532804      5.558957      7.490781
  H      -2.123623      5.073205      6.537109
  H      -3.983921      3.334034      8.228898
  H      -2.216313      3.516365      8.410800
  H      -5.234848     -0.018233      7.575652
  H      -5.302664      1.615003      8.256157
  H      -3.012769      0.218872      6.777271
  H      -2.967904      0.921627      8.418051
  C      -2.567596      1.458556      2.700955
  C      -3.231137      0.091795      2.397836
  C      -4.462658      0.164347      1.527358
  N      -4.562788      1.183985      0.677681
  C      -5.666857      1.249734     -0.104470
  N      -6.685822      0.411338     -0.139569
  C      -6.591484     -0.672244      0.691018
  C      -7.633703     -1.630439      0.687473
  C      -7.555195     -2.747676      1.495004
  C      -6.436043     -2.948001      2.332527
  C      -5.410822     -2.021411      2.365337
  C      -5.465200     -0.858817      1.555694
  C      -4.560454      5.722184      5.105966
  C      -3.549751      6.566524      4.287070
  C      -3.107778      5.863203      3.037511
  N      -4.011229      5.798139      2.059780
  C      -3.658317      5.153063      0.921489
  N      -2.504799      4.572194      0.644149
  C      -1.564048      4.614302      1.634207
  C      -0.312242      3.987683      1.417254
  C       0.652221      3.999339      2.404495
  C       0.408181      4.646869      3.637573
  C      -0.800876      5.271001      3.872298
  C      -1.819446      5.263606      2.885608
  C      -6.774230      1.194259      5.814632
  C      -6.873666     -0.044069      4.881864
  C      -8.112905     -0.038417      4.042373
  N      -8.227218      1.008428      3.218450
  C      -9.301782      1.051018      2.397190
  N     -10.278210      0.166861      2.302186
  C     -10.197222     -0.906803      3.146542
  C     -11.203967     -1.900162      3.090181
  C     -11.143883     -3.002333      3.921586
  C     -10.080386     -3.149585      4.840012
  C      -9.082926     -2.196360      4.914554
  C      -9.112474     -1.056103      4.071563
  H      -3.037485      2.211449      2.057255
  H      -1.504508      1.428205      2.407006
  H      -3.477354     -0.404312      3.347783
  H      -2.512403     -0.572631      1.886191
  H      -5.711739      2.110130     -0.780739
  H      -8.490292     -1.451370      0.036561
  H      -8.366593     -3.477603      1.496230
  H      -6.387353     -3.837019      2.963423
  H      -4.552828     -2.187076      3.017636
  H      -5.380994      5.437051      4.433681
  H      -4.980833      6.376405      5.895685
  H      -4.071528      7.486598      3.982374
  H      -2.699723      6.861880      4.915971
  H      -4.427133      5.117078      0.142556
  H      -0.149249      3.495178      0.457651
  H       1.613006      3.510445      2.233894
  H       1.184276      4.657041      4.404969
  H      -0.972138      5.772296      4.824521
  H      -7.351517      1.014106      6.739452
  H      -7.256898      2.037124      5.298659
  H      -6.026372      0.038250      4.185080
  H      -6.752117     -0.974715      5.449068
  H      -9.350458      1.916110      1.728276
  H     -12.015777     -1.764083      2.374173
  H     -11.922186     -3.765979      3.871982
  H     -10.047059     -4.024072      5.492015
  H      -8.264018     -2.324243      5.622643
  N      -5.428101      2.666099      3.405407
  H      -6.399701      2.331575      3.353235
  H      -5.093637      2.810902      2.449018
89
Coordinates from ORCA-job orca E -6086.461220389158
  N      -2.650276      1.873389      4.095712
  Mo     -4.230377      2.674267      5.000328
  N      -5.400239      1.533621      6.135073
  C      -4.903786      1.018746      7.402481
  C      -3.380059      1.041334      7.398176
  N      -2.891371      2.298553      6.780794
  C      -1.519944      2.163760      6.233267
  C      -1.559581      1.379938      4.927767
  C      -3.042960      3.468965      7.680258
  C      -3.135924      4.745280      6.852858
  N      -4.012971      4.517208      5.710934
  H      -0.590632      1.516435      4.411541
  H      -1.650479      0.290596      5.126490
  H      -1.156721      3.178699      6.021443
  H      -0.843866      1.697033      6.972786
  H      -3.533086      5.555243      7.494563
  H      -2.122811      5.071433      6.541569
  H      -3.983558      3.329413      8.229879
  H      -2.215991      3.511688      8.412370
  H      -5.233219     -0.023653      7.571286
  H      -5.301121      1.607835      8.255813
  H      -3.011151      0.216056      6.773630
  H      -2.966325      0.915829      8.415634
  C      -2.568857      1.453694      2.701756
  C      -3.229929      0.084339      2.405069
  C      -4.464272      0.149309      1.537976
  N      -4.571180      1.165088      0.684594
  C      -5.677980      1.223156     -0.094404
  N      -6.693893      0.380762     -0.122501
  C      -6.592702     -0.698906      0.712371
  C      -7.631736     -1.660634      0.717183
  C      -7.546674     -2.773557      1.530002
  C      -6.423592     -2.966344      2.364088
  C      -5.401225     -2.036377      2.388396
  C      -5.462640     -0.877697      1.573661
  C      -4.559035      5.721485      5.109150
  C      -3.549244      6.567674      4.291032
  C      -3.108579      5.868155      3.038719
  N      -4.013142      5.806927      2.061791
  C      -3.661364      5.167297      0.920047
  N      -2.507945      4.588280      0.638678
  C      -1.565900      4.626600      1.627652
  C      -0.313780      4.002268      1.405748
  C       0.652646      4.011035      2.391172
  C       0.409850      4.652626      3.627549
  C      -0.799663      5.274035      3.867260
  C      -1.819946      5.270129      2.882335
  C      -6.774010      1.194695      5.814378
  C      -6.874828     -0.034812      4.870309
  C      -8.116965     -0.021746      4.035300
  N      -8.237821      1.036409      3.226898
  C      -9.316954      1.088405      2.412206
  N     -10.291880      0.203443      2.309490
  C     -10.203805     -0.882252      3.137545
  C     -11.208603     -1.877008      3.072055
  C     -11.141507     -2.991142      3.886794
  C     -10.072623     -3.149441      4.797105
  C      -9.077049     -2.194956      4.880460
  C      -9.113903     -1.042306      4.054749
  H      -3.040978      2.203585      2.056087
  H      -1.506066      1.424025      2.406530
  H      -3.472188     -0.408854      3.357567
  H      -2.510868     -0.580296      1.894104
  H      -5.728728      2.080882     -0.773647
  H      -8.491421     -1.487440      0.068773
  H      -8.355764     -3.506013      1.537968
  H      -6.369703     -3.852043      2.999215
  H      -4.540320     -2.196029      3.038370
  H      -5.379721      5.437005      4.436759
  H      -4.979411      6.374417      5.899937
  H      -4.071415      7.488504      3.989362
  H      -2.698622      6.861694      4.919820
  H      -4.431058      5.134544      0.141890
  H      -0.151604      3.514880      0.443379
  H       1.614249      3.525066      2.216331
  H       1.187373      4.660569      4.393526
  H      -0.969817      5.771126      4.821926
  H      -7.349672      1.006701      6.738701
  H      -7.257705      2.041680      5.306274
  H      -6.030000      0.055919      4.171552
  H      -6.750084     -0.970955      5.427741
  H      -9.371297      1.963003      1.756275
  H     -12.024613     -1.732314      2.362534
  H     -11.918395     -3.755748      3.830222
  H     -10.033767     -4.033328      5.436005
  H      -8.254058     -2.331225      5.582241
  N      -5.428972      2.666420      3.407205
  H      -6.398879      2.327540      3.354790
  H      -5.094957      2.811543      2.450809
89
Coordinates from ORCA-job orca E -6086.461219595672
  N      -2.652982      1.873076      4.094252
  Mo     -4.232210      2.674687      4.999724
  N      -5.401372      1.534684      6.136008
  C      -4.904148      1.020602      7.403441
  C      -3.380462      1.042889      7.398113
  N      -2.891923      2.299494      6.779403
  C      -1.521015      2.163693      6.230883
  C      -1.562160      1.379159      4.925872
  C      -3.042398      3.470526      7.678251
  C      -3.135654      4.746412      6.850247
  N      -4.013415      4.517937      5.708976
  H      -0.593438      1.514634      4.408945
  H      -1.653774      0.289993      5.125210
  H      -1.157363      3.178297      6.018189
  H      -0.844600      1.696982      6.970107
  H      -3.532284      5.556768      7.491797
  H      -2.122688      5.072241      6.538144
  H      -3.982587      3.331577      8.228724
  H      -2.214816      3.513422      8.409661
  H      -5.233660     -0.021621      7.573158
  H      -5.300825      1.610324      8.256643
  H      -3.012166      0.217008      6.774007
  H      -2.966045      0.918099      8.415385
  C      -2.572036      1.453246      2.700239
  C      -3.234944      0.084824      2.403433
  C      -4.467550      0.150779      1.533850
  N      -4.570874      1.164963      0.678149
  C      -5.675646      1.223034     -0.103758
  N      -6.692688      0.382030     -0.132711
  C      -6.595200     -0.696014      0.704684
  C      -7.635865     -1.655997      0.709229
  C      -7.554784     -2.766993      1.525086
  C      -6.434060     -2.959677      2.362375
  C      -5.410066     -2.031503      2.386769
  C      -5.467540     -0.874669      1.569125
  C      -4.558664      5.722114      5.106238
  C      -3.547813      6.568162      4.289286
  C      -3.104081      5.868001      3.038411
  N      -4.006667      5.805368      2.059755
  C      -3.652224      5.165102      0.919179
  N      -2.497904      4.586521      0.640626
  C      -1.557766      4.626465      1.631361
  C      -0.304809      4.002792      1.412360
  C       0.659947      4.013469      2.399437
  C       0.414448      4.656287      3.634624
  C      -0.796024      5.276922      3.871557
  C      -1.814619      5.271063      2.884918
  C      -6.774979      1.194405      5.816075
  C      -6.874924     -0.035147      4.871959
  C      -8.118108     -0.024021      4.038520
  N      -8.242144      1.034449      3.230976
  C      -9.322591      1.084915      2.417923
  N     -10.295897      0.198082      2.315924
  C     -10.204419     -0.888119      3.142953
  C     -11.207100     -1.885028      3.077848
  C     -11.136375     -2.999876      3.891313
  C     -10.065851     -3.156749      4.799937
  C      -9.072314     -2.200100      4.882932
  C      -9.112921     -1.046646      4.058526
  H      -3.042763      2.203836      2.054353
  H      -1.509179      1.421927      2.405391
  H      -3.479834     -0.407177      3.355884
  H      -2.516077     -0.581509      1.894401
  H      -5.723423      2.079402     -0.784935
  H      -8.493690     -1.482863      0.058335
  H      -8.365260     -3.497921      1.533004
  H      -6.383262     -3.843876      2.999850
  H      -4.551049     -2.191036      3.039277
  H      -5.378564      5.437535      4.432932
  H      -4.979870      6.375271      5.896403
  H      -4.070021      7.488383      3.985831
  H      -2.698735      6.863333      4.919640
  H      -4.420226      5.131539      0.139398
  H      -0.140517      3.514655      0.450723
  H       1.622341      3.528251      2.226751
  H       1.190673      4.665886      4.401903
  H      -0.968004      5.775195      4.825310
  H      -7.349894      1.005705      6.740723
  H      -7.259898      2.040897      5.308313
  H      -6.031100      0.057199      4.172212
  H      -6.747885     -0.971171      5.429080
  H      -9.379654      1.959881      1.762731
  H     -12.024389     -1.741445      2.369569
  H     -11.911609     -3.766187      3.834982
  H     -10.024076     -4.041254      5.437804
  H      -8.247968     -2.335306      5.583336
  N      -5.432738      2.666276      3.408074
  H      -6.402273      2.326186      3.356793
  H      -5.099660      2.810210      2.451196
89
Coordinates from ORCA-job orca E -6086.461221462980
  N      -2.652061      1.873242      4.093741
  Mo     -4.231577      2.674535      4.999070
  N      -5.400905      1.534172      6.134812
  C      -4.903839      1.019724      7.402161
  C      -3.380132      1.042123      7.397065
  N      -2.891630      2.299002      6.778887
  C      -1.520550      2.163750      6.230640
  C      -1.561176      1.379527      4.925408
  C      -3.042667      3.469744      7.678024
  C      -3.135688      4.745856      6.850353
  N      -4.013107      4.517661      5.708735
  H      -0.592435      1.515443      4.408635
  H      -1.652453      0.290294      5.124525
  H      -1.157154      3.178517      6.018305
  H      -0.844175      1.697038      6.969899
  H      -3.532485      5.556069      7.491970
  H      -2.122622      5.071681      6.538626
  H      -3.983122      3.330516      8.227974
  H      -2.215464      3.512518      8.409872
  H      -5.233344     -0.022563      7.571500
  H      -5.300642      1.609147      8.255510
  H      -3.011636      0.216497      6.772743
  H      -2.965907      0.917040      8.414379
  C      -2.571301      1.453385      2.699785
  C      -3.233105      0.084369      2.403142
  C      -4.467376      0.149793      1.535946
  N      -4.573601      1.165180      0.682012
  C      -5.680218      1.223385     -0.097255
  N      -6.696554      0.381493     -0.125122
  C      -6.596112     -0.697757      0.710366
  C      -7.635787     -1.658807      0.715706
  C      -7.551601     -2.771199      1.529339
  C      -6.428683     -2.964219      2.363602
  C      -5.405683     -2.034943      2.387344
  C      -5.466277     -0.876696      1.571918
  C      -4.558899      5.721833      5.106510
  C      -3.548384      6.568488      4.289712
  C      -3.104900      5.868506      3.038655
  N      -4.007865      5.805358      2.060404
  C      -3.653859      5.164486      0.920020
  N      -2.499830      4.585322      0.641530
  C      -1.559278      4.625819      1.631838
  C      -0.306598      4.001573      1.412855
  C       0.658609      4.012949      2.399471
  C       0.413955      4.657192      3.634072
  C      -0.796235      5.278393      3.870979
  C      -1.815407      5.271598      2.884928
  C      -6.774694      1.194625      5.814818
  C      -6.875126     -0.034263      4.869933
  C      -8.118348     -0.022285      4.036606
  N      -8.241826      1.036424      3.229294
  C      -9.322156      1.087539      2.416136
  N     -10.295821      0.201136      2.313799
  C     -10.204961     -0.885243      3.140668
  C     -11.208035     -1.881735      3.075192
  C     -11.137895     -2.996770      3.888441
  C     -10.067611     -3.154241      4.797251
  C      -9.073713     -2.198014      4.880610
  C      -9.113670     -1.044412      4.056369
  H      -3.042994      2.203497      2.054049
  H      -1.508557      1.422953      2.404430
  H      -3.475552     -0.408879      3.355553
  H      -2.514340     -0.580471      1.892021
  H      -5.730366      2.080746     -0.777004
  H      -8.495324     -1.485439      0.067140
  H      -8.361293     -3.502993      1.537849
  H      -6.375435     -3.849516      2.999345
  H      -4.544968     -2.194746      3.037535
  H      -5.378621      5.437027      4.433094
  H      -4.980443      6.374578      5.896832
  H      -4.070688      7.488821      3.986800
  H      -2.699157      6.863419      4.919967
  H      -4.422109      5.130635      0.140493
  H      -0.142909      3.512434      0.451629
  H       1.620720      3.527167      2.226838
  H       1.190609      4.667495      4.400903
  H      -0.967516      5.777921      4.824187
  H      -7.349566      1.005486      6.739398
  H      -7.259408      2.041654      5.307728
  H      -6.031346      0.058297      4.170173
  H      -6.748279     -0.970662      5.426466
  H      -9.378769      1.962695      1.761145
  H     -12.025123     -1.737707      2.366775
  H     -11.913386     -3.762785      3.831798
  H     -10.026306     -4.038876      5.434964
  H      -8.249530     -2.333660      5.581115
  N      -5.431573      2.666938      3.406926
  H      -6.401515      2.328022      3.355477
  H      -5.098279      2.811312      2.450179
89
Coordinates from ORCA-job orca E -6086.461221552109
  N      -2.651691      1.873099      4.093433
  Mo     -4.231382      2.674241      4.998710
  N      -5.400623      1.533560      6.134266
  C      -4.903656      1.019252      7.401707
  C      -3.379952      1.041796      7.396717
  N      -2.891557      2.298731      6.778601
  C      -1.520418      2.163731      6.230482
  C      -1.560787      1.379576      4.925193
  C      -3.042967      3.469469      7.677688
  C      -3.135832      4.745596      6.850039
  N      -4.012986      4.517405      5.708186
  H      -0.592046      1.515766      4.408487
  H      -1.651806      0.290312      5.124255
  H      -1.157117      3.178561      6.018302
  H      -0.844062      1.697033      6.969771
  H      -3.532743      5.555830      7.491542
  H      -2.122685      5.071329      6.538509
  H      -3.983613      3.330163      8.227290
  H      -2.216035      3.512300      8.409844
  H      -5.233117     -0.023045      7.571069
  H      -5.300542      1.608681      8.255014
  H      -3.011316      0.216212      6.772420
  H      -2.965824      0.916752      8.414080
  C      -2.570828      1.453189      2.699547
  C      -3.232475      0.084126      2.402719
  C      -4.467126      0.149592      1.536062
  N      -4.573718      1.165084      0.682291
  C      -5.680591      1.223301     -0.096611
  N      -6.696888      0.381359     -0.124247
  C      -6.596069     -0.698009      0.711024
  C      -7.635560     -1.659261      0.716395
  C      -7.550905     -2.771894      1.529636
  C      -6.427734     -2.964913      2.363566
  C      -5.404930     -2.035433      2.387306
  C      -5.465926     -0.876989      1.572181
  C      -4.559292      5.721476      5.106218
  C      -3.548899      6.568768      4.289881
  C      -3.105100      5.869053      3.038770
  N      -4.007859      5.805873      2.060368
  C      -3.653661      5.164894      0.920077
  N      -2.499803      4.585198      0.642078
  C      -1.559399      4.625800      1.632510
  C      -0.306840      4.001163      1.413889
  C       0.658342      4.012882      2.400522
  C       0.413810      4.657887      3.634735
  C      -0.796287      5.279426      3.871297
  C      -1.815505      5.272169      2.885292
  C      -6.774453      1.194127      5.814248
  C      -6.874904     -0.034279      4.868782
  C      -8.118346     -0.022185      4.035859
  N      -8.241870      1.036482      3.228481
  C      -9.322510      1.087730      2.415743
  N     -10.296412      0.201525      2.313840
  C     -10.205536     -0.884748      3.140852
  C     -11.208951     -1.880941      3.075976
  C     -11.138891     -2.995785      3.889487
  C     -10.068365     -3.153343      4.798002
  C      -9.074153     -2.197398      4.880792
  C      -9.113973     -1.044016      4.056213
  H      -3.042462      2.203183      2.053623
  H      -1.508036      1.422675      2.404339
  H      -3.474224     -0.409788      3.354948
  H      -2.513728     -0.580097      1.890754
  H      -5.731046      2.080778     -0.776189
  H      -8.495318     -1.485902      0.068116
  H      -8.360433     -3.503873      1.538110
  H      -6.374110     -3.850397      2.999015
  H      -4.544001     -2.195266      3.037206
  H      -5.378604      5.436334      4.432457
  H      -4.981451      6.373820      5.896541
  H      -4.071165      7.489240      3.987363
  H      -2.699780      6.863455      4.920394
  H      -4.421673      5.131209      0.140307
  H      -0.143175      3.511599      0.452877
  H       1.620389      3.526862      2.228142
  H       1.190504      4.668616      4.401519
  H      -0.967424      5.779800      4.824087
  H      -7.349189      1.004424      6.738793
  H      -7.259331      2.041417      5.307728
  H      -6.031335      0.058836      4.168828
  H      -6.747665     -0.970886      5.424878
  H      -9.379252      1.962874      1.760736
  H     -12.026244     -1.736835      2.367813
  H     -11.914635     -3.761577      3.833320
  H     -10.027139     -4.037794      5.435976
  H      -8.249799     -2.333032      5.581098
  N      -5.431382      2.667183      3.406454
  H      -6.401632      2.329187      3.355226
  H      -5.097937      2.810859      2.449665
